Starting phenix.real_space_refine
on Tue Mar 19 04:11:22 2024 by dcliebschner
===============================================================================

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

  Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8e01_27812/03_2024/8e01_27812.pdb
  Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8e01_27812/03_2024/8e01_27812.map

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

  Adding command-line PHIL:
  -------------------------
    refinement.macro_cycles=10
    scattering_table=electron
    resolution=3.4
    write_initial_geo_file=False

Final processed PHIL parameters:
-------------------------------------------------------------------------------
  data_manager {
    real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8e01_27812/03_2024/8e01_27812.map"
    default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8e01_27812/03_2024/8e01_27812.map"
    model {
      file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8e01_27812/03_2024/8e01_27812.pdb"
    }
    default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8e01_27812/03_2024/8e01_27812.pdb"
  }
  resolution = 3.4
  write_initial_geo_file = False
  refinement {
    macro_cycles = 10
  }
  qi {
    qm_restraints {
      package {
        program = *test
      }
    }
  }


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

Validating inputs
-------------------------------------------------------------------------------
Processing inputs
*****************
Set random seed
  Set to: 0
Set model cs if undefined
Decide on map wrapping
  Map wrapping is set to: False
Normalize map: mean=0, sd=1
  Input map: mean=   0.007 sd=   0.216
Set stop_for_unknowns flag
  Set to: True
Assert model is a single copy model
Assert all atoms have isotropic ADPs
Construct map_model_manager
Extract box with map and model
Check model and map are aligned
Set scattering table
  Set to: electron
  Number of scattering types: 4
    Type Number    sf(0)   Gaussians
     S     600      5.16       5
     C   59280      2.51       5
     N   14880      2.21       5
     O   16320      1.98       5
    sf(0) = scattering factor at diffraction angle 0.
Process input model

  Symmetric amino acids flipped
    Residue "A ASP   68": "OD1" <-> "OD2"
    Residue "A PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "B ASP   68": "OD1" <-> "OD2"
    Residue "B PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "C ASP   68": "OD1" <-> "OD2"
    Residue "C PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "D ASP   68": "OD1" <-> "OD2"
    Residue "D PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "E ASP   68": "OD1" <-> "OD2"
    Residue "E PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "F ASP   68": "OD1" <-> "OD2"
    Residue "F PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "G ASP   68": "OD1" <-> "OD2"
    Residue "G PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "H ASP   68": "OD1" <-> "OD2"
    Residue "H PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "I ASP   68": "OD1" <-> "OD2"
    Residue "I PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "J ASP   68": "OD1" <-> "OD2"
    Residue "J PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "K ASP   68": "OD1" <-> "OD2"
    Residue "K PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "L ASP   68": "OD1" <-> "OD2"
    Residue "L PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "M ASP   68": "OD1" <-> "OD2"
    Residue "M PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "N ASP   68": "OD1" <-> "OD2"
    Residue "N PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "O ASP   68": "OD1" <-> "OD2"
    Residue "O PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "P ASP   68": "OD1" <-> "OD2"
    Residue "P PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "Q ASP   68": "OD1" <-> "OD2"
    Residue "Q PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "R ASP   68": "OD1" <-> "OD2"
    Residue "R PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "S ASP   68": "OD1" <-> "OD2"
    Residue "S PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "T ASP   68": "OD1" <-> "OD2"
    Residue "T PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "U ASP   68": "OD1" <-> "OD2"
    Residue "U PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "V ASP   68": "OD1" <-> "OD2"
    Residue "V PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "W ASP   68": "OD1" <-> "OD2"
    Residue "W PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "X ASP   68": "OD1" <-> "OD2"
    Residue "X PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "Y ASP   68": "OD1" <-> "OD2"
    Residue "Y PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "Z ASP   68": "OD1" <-> "OD2"
    Residue "Z PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "0 ASP   68": "OD1" <-> "OD2"
    Residue "0 PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "1 ASP   68": "OD1" <-> "OD2"
    Residue "1 PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "2 ASP   68": "OD1" <-> "OD2"
    Residue "2 PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "3 ASP   68": "OD1" <-> "OD2"
    Residue "3 PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "4 ASP   68": "OD1" <-> "OD2"
    Residue "4 PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "5 ASP   68": "OD1" <-> "OD2"
    Residue "5 PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "6 ASP   68": "OD1" <-> "OD2"
    Residue "6 PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "7 ASP   68": "OD1" <-> "OD2"
    Residue "7 PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "8 ASP   68": "OD1" <-> "OD2"
    Residue "8 PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "9 ASP   68": "OD1" <-> "OD2"
    Residue "9 PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "a ASP   68": "OD1" <-> "OD2"
    Residue "a PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "b ASP   68": "OD1" <-> "OD2"
    Residue "b PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "c ASP   68": "OD1" <-> "OD2"
    Residue "c PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "d ASP   68": "OD1" <-> "OD2"
    Residue "d PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "e ASP   68": "OD1" <-> "OD2"
    Residue "e PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "f ASP   68": "OD1" <-> "OD2"
    Residue "f PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "g ASP   68": "OD1" <-> "OD2"
    Residue "g PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "h ASP   68": "OD1" <-> "OD2"
    Residue "h PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "i ASP   68": "OD1" <-> "OD2"
    Residue "i PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "j ASP   68": "OD1" <-> "OD2"
    Residue "j PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "k ASP   68": "OD1" <-> "OD2"
    Residue "k PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "l ASP   68": "OD1" <-> "OD2"
    Residue "l PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "m ASP   68": "OD1" <-> "OD2"
    Residue "m PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "n ASP   68": "OD1" <-> "OD2"
    Residue "n PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "o ASP   68": "OD1" <-> "OD2"
    Residue "o PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "p ASP   68": "OD1" <-> "OD2"
    Residue "p PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "q ASP   68": "OD1" <-> "OD2"
    Residue "q PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "r ASP   68": "OD1" <-> "OD2"
    Residue "r PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "s ASP   68": "OD1" <-> "OD2"
    Residue "s PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "t ASP   68": "OD1" <-> "OD2"
    Residue "t PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "u ASP   68": "OD1" <-> "OD2"
    Residue "u PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "v ASP   68": "OD1" <-> "OD2"
    Residue "v PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "w ASP   68": "OD1" <-> "OD2"
    Residue "w PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "x ASP   68": "OD1" <-> "OD2"
    Residue "x PHE  118": "CD1" <-> "CD2" "CE1" <-> "CE2"
  Time to flip residues: 0.23s

  Monomer Library directory:
    "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib"
  Total number of atoms: 91080
  Number of models: 1
  Model: ""
    Number of chains: 60
    Chain: "A"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "B"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "C"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "D"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "E"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "F"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "G"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "H"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "I"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "J"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "K"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "L"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "M"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "N"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "O"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "P"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "Q"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "R"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "S"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "T"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "U"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "V"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "W"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "X"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "Y"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "Z"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "0"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "1"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "2"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "3"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "4"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "5"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "6"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "7"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "8"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "9"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "a"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "b"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "c"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "d"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "e"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "f"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "g"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "h"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "i"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "j"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "k"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "l"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "m"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "n"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "o"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "p"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "q"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "r"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "s"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "t"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "u"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "v"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "w"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
    Chain: "x"
      Number of atoms: 1518
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 201, 1518
          Classifications: {'peptide': 201}
          Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190}
  Time building chain proxies: 36.07, per 1000 atoms: 0.40
  Number of scatterers: 91080
  At special positions: 0
  Unit cell: (270.6, 270.6, 270.6, 90, 90, 90)
  Space group: P 1 (No. 1)
  Number of sites at special positions: 0
  Number of scattering types: 4
    Type Number    sf(0)
     S     600     16.00
     O   16320      8.00
     N   14880      7.00
     C   59280      6.00
    sf(0) = scattering factor at diffraction angle 0.

  Number of disulfides: simple=60, symmetry=0
    Simple disulfide: pdb=" SG  CYS A 184 " - pdb=" SG  CYS A 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS B 184 " - pdb=" SG  CYS B 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS C 184 " - pdb=" SG  CYS C 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS D 184 " - pdb=" SG  CYS D 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS E 184 " - pdb=" SG  CYS E 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS F 184 " - pdb=" SG  CYS F 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS G 184 " - pdb=" SG  CYS G 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS H 184 " - pdb=" SG  CYS H 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS I 184 " - pdb=" SG  CYS I 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS J 184 " - pdb=" SG  CYS J 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS K 184 " - pdb=" SG  CYS K 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS L 184 " - pdb=" SG  CYS L 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS M 184 " - pdb=" SG  CYS M 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS N 184 " - pdb=" SG  CYS N 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS O 184 " - pdb=" SG  CYS O 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS P 184 " - pdb=" SG  CYS P 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS Q 184 " - pdb=" SG  CYS Q 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS R 184 " - pdb=" SG  CYS R 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS S 184 " - pdb=" SG  CYS S 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS T 184 " - pdb=" SG  CYS T 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS U 184 " - pdb=" SG  CYS U 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS V 184 " - pdb=" SG  CYS V 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS W 184 " - pdb=" SG  CYS W 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS X 184 " - pdb=" SG  CYS X 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS Y 184 " - pdb=" SG  CYS Y 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS Z 184 " - pdb=" SG  CYS Z 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS 0 184 " - pdb=" SG  CYS 0 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS 1 184 " - pdb=" SG  CYS 1 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS 2 184 " - pdb=" SG  CYS 2 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS 3 184 " - pdb=" SG  CYS 3 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS 4 184 " - pdb=" SG  CYS 4 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS 5 184 " - pdb=" SG  CYS 5 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS 6 184 " - pdb=" SG  CYS 6 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS 7 184 " - pdb=" SG  CYS 7 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS 8 184 " - pdb=" SG  CYS 8 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS 9 184 " - pdb=" SG  CYS 9 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS a 184 " - pdb=" SG  CYS a 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS b 184 " - pdb=" SG  CYS b 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS c 184 " - pdb=" SG  CYS c 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS d 184 " - pdb=" SG  CYS d 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS e 184 " - pdb=" SG  CYS e 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS f 184 " - pdb=" SG  CYS f 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS g 184 " - pdb=" SG  CYS g 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS h 184 " - pdb=" SG  CYS h 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS i 184 " - pdb=" SG  CYS i 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS j 184 " - pdb=" SG  CYS j 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS k 184 " - pdb=" SG  CYS k 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS l 184 " - pdb=" SG  CYS l 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS m 184 " - pdb=" SG  CYS m 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS n 184 " - pdb=" SG  CYS n 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS o 184 " - pdb=" SG  CYS o 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS p 184 " - pdb=" SG  CYS p 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS q 184 " - pdb=" SG  CYS q 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS r 184 " - pdb=" SG  CYS r 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS s 184 " - pdb=" SG  CYS s 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS t 184 " - pdb=" SG  CYS t 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS u 184 " - pdb=" SG  CYS u 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS v 184 " - pdb=" SG  CYS v 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS w 184 " - pdb=" SG  CYS w 222 " distance=2.03
    Simple disulfide: pdb=" SG  CYS x 184 " - pdb=" SG  CYS x 222 " distance=2.03

  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: 25.64
  Conformation dependent library (CDL) restraints added in 12.2 seconds
  

  23880 Ramachandran restraints generated.
    11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2.
  Adding C-beta torsion restraints...
  Number of C-beta restraints generated:  21840

  Finding SS restraints...
    Secondary structure from input PDB file:
      600 helices and 180 sheets defined
      53.7% alpha, 11.9% beta
      0 base pairs and 0 stacking pairs defined.
    Time for finding SS restraints: 7.95
  Creating SS restraints...
    Processing helix  chain 'A' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS A  28 " --> pdb=" O   GLU A  24 " (cutoff:3.500A)
    Processing helix  chain 'A' and resid 39 through 53
    Processing helix  chain 'A' and resid 66 through 74
    Processing helix  chain 'A' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU A  79 " --> pdb=" O   SER A  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET A  80 " --> pdb=" O   PHE A  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'A' and resid 75 through 80'
    Processing helix  chain 'A' and resid 91 through 101
    Processing helix  chain 'A' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE A 118 " --> pdb=" O   GLU A 114 " (cutoff:3.500A)
    Processing helix  chain 'A' and resid 132 through 143
    Processing helix  chain 'A' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS A 161 " --> pdb=" O   PRO A 157 " (cutoff:3.500A)
    Processing helix  chain 'A' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE A 187 " --> pdb=" O   VAL A 183 " (cutoff:3.500A)
    Processing helix  chain 'A' and resid 204 through 222
    Processing helix  chain 'B' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS B  28 " --> pdb=" O   GLU B  24 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 39 through 53
    Processing helix  chain 'B' and resid 66 through 74
    Processing helix  chain 'B' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU B  79 " --> pdb=" O   SER B  75 " (cutoff:3.500A)
      removed outlier: 4.357A  pdb=" N   MET B  80 " --> pdb=" O   PHE B  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'B' and resid 75 through 80'
    Processing helix  chain 'B' and resid 91 through 101
    Processing helix  chain 'B' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE B 118 " --> pdb=" O   GLU B 114 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 132 through 143
    Processing helix  chain 'B' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS B 161 " --> pdb=" O   PRO B 157 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE B 187 " --> pdb=" O   VAL B 183 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 204 through 222
    Processing helix  chain 'C' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS C  28 " --> pdb=" O   GLU C  24 " (cutoff:3.500A)
    Processing helix  chain 'C' and resid 39 through 53
    Processing helix  chain 'C' and resid 66 through 74
    Processing helix  chain 'C' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU C  79 " --> pdb=" O   SER C  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET C  80 " --> pdb=" O   PHE C  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'C' and resid 75 through 80'
    Processing helix  chain 'C' and resid 91 through 101
    Processing helix  chain 'C' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE C 118 " --> pdb=" O   GLU C 114 " (cutoff:3.500A)
    Processing helix  chain 'C' and resid 132 through 143
    Processing helix  chain 'C' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS C 161 " --> pdb=" O   PRO C 157 " (cutoff:3.500A)
    Processing helix  chain 'C' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE C 187 " --> pdb=" O   VAL C 183 " (cutoff:3.500A)
    Processing helix  chain 'C' and resid 204 through 222
    Processing helix  chain 'D' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS D  28 " --> pdb=" O   GLU D  24 " (cutoff:3.500A)
    Processing helix  chain 'D' and resid 39 through 53
    Processing helix  chain 'D' and resid 66 through 74
    Processing helix  chain 'D' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU D  79 " --> pdb=" O   SER D  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET D  80 " --> pdb=" O   PHE D  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'D' and resid 75 through 80'
    Processing helix  chain 'D' and resid 91 through 101
    Processing helix  chain 'D' and resid 112 through 123
      removed outlier: 3.611A  pdb=" N   PHE D 118 " --> pdb=" O   GLU D 114 " (cutoff:3.500A)
    Processing helix  chain 'D' and resid 132 through 143
    Processing helix  chain 'D' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS D 161 " --> pdb=" O   PRO D 157 " (cutoff:3.500A)
    Processing helix  chain 'D' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE D 187 " --> pdb=" O   VAL D 183 " (cutoff:3.500A)
    Processing helix  chain 'D' and resid 204 through 222
    Processing helix  chain 'E' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS E  28 " --> pdb=" O   GLU E  24 " (cutoff:3.500A)
    Processing helix  chain 'E' and resid 39 through 53
    Processing helix  chain 'E' and resid 66 through 74
    Processing helix  chain 'E' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU E  79 " --> pdb=" O   SER E  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET E  80 " --> pdb=" O   PHE E  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'E' and resid 75 through 80'
    Processing helix  chain 'E' and resid 91 through 101
    Processing helix  chain 'E' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE E 118 " --> pdb=" O   GLU E 114 " (cutoff:3.500A)
    Processing helix  chain 'E' and resid 132 through 143
    Processing helix  chain 'E' and resid 157 through 164
      removed outlier: 3.708A  pdb=" N   LYS E 161 " --> pdb=" O   PRO E 157 " (cutoff:3.500A)
    Processing helix  chain 'E' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE E 187 " --> pdb=" O   VAL E 183 " (cutoff:3.500A)
    Processing helix  chain 'E' and resid 204 through 222
    Processing helix  chain 'F' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS F  28 " --> pdb=" O   GLU F  24 " (cutoff:3.500A)
    Processing helix  chain 'F' and resid 39 through 53
    Processing helix  chain 'F' and resid 66 through 74
    Processing helix  chain 'F' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU F  79 " --> pdb=" O   SER F  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET F  80 " --> pdb=" O   PHE F  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'F' and resid 75 through 80'
    Processing helix  chain 'F' and resid 91 through 101
    Processing helix  chain 'F' and resid 112 through 123
      removed outlier: 3.611A  pdb=" N   PHE F 118 " --> pdb=" O   GLU F 114 " (cutoff:3.500A)
    Processing helix  chain 'F' and resid 132 through 143
    Processing helix  chain 'F' and resid 157 through 164
      removed outlier: 3.708A  pdb=" N   LYS F 161 " --> pdb=" O   PRO F 157 " (cutoff:3.500A)
    Processing helix  chain 'F' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE F 187 " --> pdb=" O   VAL F 183 " (cutoff:3.500A)
    Processing helix  chain 'F' and resid 204 through 222
    Processing helix  chain 'G' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS G  28 " --> pdb=" O   GLU G  24 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 39 through 53
    Processing helix  chain 'G' and resid 66 through 74
    Processing helix  chain 'G' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU G  79 " --> pdb=" O   SER G  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET G  80 " --> pdb=" O   PHE G  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'G' and resid 75 through 80'
    Processing helix  chain 'G' and resid 91 through 101
    Processing helix  chain 'G' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE G 118 " --> pdb=" O   GLU G 114 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 132 through 143
    Processing helix  chain 'G' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS G 161 " --> pdb=" O   PRO G 157 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE G 187 " --> pdb=" O   VAL G 183 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 204 through 222
    Processing helix  chain 'H' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS H  28 " --> pdb=" O   GLU H  24 " (cutoff:3.500A)
    Processing helix  chain 'H' and resid 39 through 53
    Processing helix  chain 'H' and resid 66 through 74
    Processing helix  chain 'H' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU H  79 " --> pdb=" O   SER H  75 " (cutoff:3.500A)
      removed outlier: 4.357A  pdb=" N   MET H  80 " --> pdb=" O   PHE H  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'H' and resid 75 through 80'
    Processing helix  chain 'H' and resid 91 through 101
    Processing helix  chain 'H' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE H 118 " --> pdb=" O   GLU H 114 " (cutoff:3.500A)
    Processing helix  chain 'H' and resid 132 through 143
    Processing helix  chain 'H' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS H 161 " --> pdb=" O   PRO H 157 " (cutoff:3.500A)
    Processing helix  chain 'H' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE H 187 " --> pdb=" O   VAL H 183 " (cutoff:3.500A)
    Processing helix  chain 'H' and resid 204 through 222
    Processing helix  chain 'I' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS I  28 " --> pdb=" O   GLU I  24 " (cutoff:3.500A)
    Processing helix  chain 'I' and resid 39 through 53
    Processing helix  chain 'I' and resid 66 through 74
    Processing helix  chain 'I' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU I  79 " --> pdb=" O   SER I  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET I  80 " --> pdb=" O   PHE I  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'I' and resid 75 through 80'
    Processing helix  chain 'I' and resid 91 through 101
    Processing helix  chain 'I' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE I 118 " --> pdb=" O   GLU I 114 " (cutoff:3.500A)
    Processing helix  chain 'I' and resid 132 through 143
    Processing helix  chain 'I' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS I 161 " --> pdb=" O   PRO I 157 " (cutoff:3.500A)
    Processing helix  chain 'I' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE I 187 " --> pdb=" O   VAL I 183 " (cutoff:3.500A)
    Processing helix  chain 'I' and resid 204 through 222
    Processing helix  chain 'J' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS J  28 " --> pdb=" O   GLU J  24 " (cutoff:3.500A)
    Processing helix  chain 'J' and resid 39 through 53
    Processing helix  chain 'J' and resid 66 through 74
    Processing helix  chain 'J' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU J  79 " --> pdb=" O   SER J  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET J  80 " --> pdb=" O   PHE J  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'J' and resid 75 through 80'
    Processing helix  chain 'J' and resid 91 through 101
    Processing helix  chain 'J' and resid 112 through 123
      removed outlier: 3.611A  pdb=" N   PHE J 118 " --> pdb=" O   GLU J 114 " (cutoff:3.500A)
    Processing helix  chain 'J' and resid 132 through 143
    Processing helix  chain 'J' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS J 161 " --> pdb=" O   PRO J 157 " (cutoff:3.500A)
    Processing helix  chain 'J' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE J 187 " --> pdb=" O   VAL J 183 " (cutoff:3.500A)
    Processing helix  chain 'J' and resid 204 through 222
    Processing helix  chain 'K' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS K  28 " --> pdb=" O   GLU K  24 " (cutoff:3.500A)
    Processing helix  chain 'K' and resid 39 through 53
    Processing helix  chain 'K' and resid 66 through 74
    Processing helix  chain 'K' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU K  79 " --> pdb=" O   SER K  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET K  80 " --> pdb=" O   PHE K  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'K' and resid 75 through 80'
    Processing helix  chain 'K' and resid 91 through 101
    Processing helix  chain 'K' and resid 112 through 123
      removed outlier: 3.611A  pdb=" N   PHE K 118 " --> pdb=" O   GLU K 114 " (cutoff:3.500A)
    Processing helix  chain 'K' and resid 132 through 143
    Processing helix  chain 'K' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS K 161 " --> pdb=" O   PRO K 157 " (cutoff:3.500A)
    Processing helix  chain 'K' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE K 187 " --> pdb=" O   VAL K 183 " (cutoff:3.500A)
    Processing helix  chain 'K' and resid 204 through 222
    Processing helix  chain 'L' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS L  28 " --> pdb=" O   GLU L  24 " (cutoff:3.500A)
    Processing helix  chain 'L' and resid 39 through 53
    Processing helix  chain 'L' and resid 66 through 74
    Processing helix  chain 'L' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU L  79 " --> pdb=" O   SER L  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET L  80 " --> pdb=" O   PHE L  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'L' and resid 75 through 80'
    Processing helix  chain 'L' and resid 91 through 101
    Processing helix  chain 'L' and resid 112 through 123
      removed outlier: 3.611A  pdb=" N   PHE L 118 " --> pdb=" O   GLU L 114 " (cutoff:3.500A)
    Processing helix  chain 'L' and resid 132 through 143
    Processing helix  chain 'L' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS L 161 " --> pdb=" O   PRO L 157 " (cutoff:3.500A)
    Processing helix  chain 'L' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE L 187 " --> pdb=" O   VAL L 183 " (cutoff:3.500A)
    Processing helix  chain 'L' and resid 204 through 222
    Processing helix  chain 'M' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS M  28 " --> pdb=" O   GLU M  24 " (cutoff:3.500A)
    Processing helix  chain 'M' and resid 39 through 53
    Processing helix  chain 'M' and resid 66 through 74
    Processing helix  chain 'M' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU M  79 " --> pdb=" O   SER M  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET M  80 " --> pdb=" O   PHE M  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'M' and resid 75 through 80'
    Processing helix  chain 'M' and resid 91 through 101
    Processing helix  chain 'M' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE M 118 " --> pdb=" O   GLU M 114 " (cutoff:3.500A)
    Processing helix  chain 'M' and resid 132 through 143
    Processing helix  chain 'M' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS M 161 " --> pdb=" O   PRO M 157 " (cutoff:3.500A)
    Processing helix  chain 'M' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE M 187 " --> pdb=" O   VAL M 183 " (cutoff:3.500A)
    Processing helix  chain 'M' and resid 204 through 222
    Processing helix  chain 'N' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS N  28 " --> pdb=" O   GLU N  24 " (cutoff:3.500A)
    Processing helix  chain 'N' and resid 39 through 53
    Processing helix  chain 'N' and resid 66 through 74
    Processing helix  chain 'N' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU N  79 " --> pdb=" O   SER N  75 " (cutoff:3.500A)
      removed outlier: 4.357A  pdb=" N   MET N  80 " --> pdb=" O   PHE N  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'N' and resid 75 through 80'
    Processing helix  chain 'N' and resid 91 through 101
    Processing helix  chain 'N' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE N 118 " --> pdb=" O   GLU N 114 " (cutoff:3.500A)
    Processing helix  chain 'N' and resid 132 through 143
    Processing helix  chain 'N' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS N 161 " --> pdb=" O   PRO N 157 " (cutoff:3.500A)
    Processing helix  chain 'N' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE N 187 " --> pdb=" O   VAL N 183 " (cutoff:3.500A)
    Processing helix  chain 'N' and resid 204 through 222
    Processing helix  chain 'O' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS O  28 " --> pdb=" O   GLU O  24 " (cutoff:3.500A)
    Processing helix  chain 'O' and resid 39 through 53
    Processing helix  chain 'O' and resid 66 through 74
    Processing helix  chain 'O' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU O  79 " --> pdb=" O   SER O  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET O  80 " --> pdb=" O   PHE O  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'O' and resid 75 through 80'
    Processing helix  chain 'O' and resid 91 through 101
    Processing helix  chain 'O' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE O 118 " --> pdb=" O   GLU O 114 " (cutoff:3.500A)
    Processing helix  chain 'O' and resid 132 through 143
    Processing helix  chain 'O' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS O 161 " --> pdb=" O   PRO O 157 " (cutoff:3.500A)
    Processing helix  chain 'O' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE O 187 " --> pdb=" O   VAL O 183 " (cutoff:3.500A)
    Processing helix  chain 'O' and resid 204 through 222
    Processing helix  chain 'P' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS P  28 " --> pdb=" O   GLU P  24 " (cutoff:3.500A)
    Processing helix  chain 'P' and resid 39 through 53
    Processing helix  chain 'P' and resid 66 through 74
    Processing helix  chain 'P' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU P  79 " --> pdb=" O   SER P  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET P  80 " --> pdb=" O   PHE P  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'P' and resid 75 through 80'
    Processing helix  chain 'P' and resid 91 through 101
    Processing helix  chain 'P' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE P 118 " --> pdb=" O   GLU P 114 " (cutoff:3.500A)
    Processing helix  chain 'P' and resid 132 through 143
    Processing helix  chain 'P' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS P 161 " --> pdb=" O   PRO P 157 " (cutoff:3.500A)
    Processing helix  chain 'P' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE P 187 " --> pdb=" O   VAL P 183 " (cutoff:3.500A)
    Processing helix  chain 'P' and resid 204 through 222
    Processing helix  chain 'Q' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS Q  28 " --> pdb=" O   GLU Q  24 " (cutoff:3.500A)
    Processing helix  chain 'Q' and resid 39 through 53
    Processing helix  chain 'Q' and resid 66 through 74
    Processing helix  chain 'Q' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU Q  79 " --> pdb=" O   SER Q  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET Q  80 " --> pdb=" O   PHE Q  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'Q' and resid 75 through 80'
    Processing helix  chain 'Q' and resid 91 through 101
    Processing helix  chain 'Q' and resid 112 through 123
      removed outlier: 3.611A  pdb=" N   PHE Q 118 " --> pdb=" O   GLU Q 114 " (cutoff:3.500A)
    Processing helix  chain 'Q' and resid 132 through 143
    Processing helix  chain 'Q' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS Q 161 " --> pdb=" O   PRO Q 157 " (cutoff:3.500A)
    Processing helix  chain 'Q' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE Q 187 " --> pdb=" O   VAL Q 183 " (cutoff:3.500A)
    Processing helix  chain 'Q' and resid 204 through 222
    Processing helix  chain 'R' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS R  28 " --> pdb=" O   GLU R  24 " (cutoff:3.500A)
    Processing helix  chain 'R' and resid 39 through 53
    Processing helix  chain 'R' and resid 66 through 74
    Processing helix  chain 'R' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU R  79 " --> pdb=" O   SER R  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET R  80 " --> pdb=" O   PHE R  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'R' and resid 75 through 80'
    Processing helix  chain 'R' and resid 91 through 101
    Processing helix  chain 'R' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE R 118 " --> pdb=" O   GLU R 114 " (cutoff:3.500A)
    Processing helix  chain 'R' and resid 132 through 143
    Processing helix  chain 'R' and resid 157 through 164
      removed outlier: 3.708A  pdb=" N   LYS R 161 " --> pdb=" O   PRO R 157 " (cutoff:3.500A)
    Processing helix  chain 'R' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE R 187 " --> pdb=" O   VAL R 183 " (cutoff:3.500A)
    Processing helix  chain 'R' and resid 204 through 222
    Processing helix  chain 'S' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS S  28 " --> pdb=" O   GLU S  24 " (cutoff:3.500A)
    Processing helix  chain 'S' and resid 39 through 53
    Processing helix  chain 'S' and resid 66 through 74
    Processing helix  chain 'S' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU S  79 " --> pdb=" O   SER S  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET S  80 " --> pdb=" O   PHE S  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'S' and resid 75 through 80'
    Processing helix  chain 'S' and resid 91 through 101
    Processing helix  chain 'S' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE S 118 " --> pdb=" O   GLU S 114 " (cutoff:3.500A)
    Processing helix  chain 'S' and resid 132 through 143
    Processing helix  chain 'S' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS S 161 " --> pdb=" O   PRO S 157 " (cutoff:3.500A)
    Processing helix  chain 'S' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE S 187 " --> pdb=" O   VAL S 183 " (cutoff:3.500A)
    Processing helix  chain 'S' and resid 204 through 222
    Processing helix  chain 'T' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS T  28 " --> pdb=" O   GLU T  24 " (cutoff:3.500A)
    Processing helix  chain 'T' and resid 39 through 53
    Processing helix  chain 'T' and resid 66 through 74
    Processing helix  chain 'T' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU T  79 " --> pdb=" O   SER T  75 " (cutoff:3.500A)
      removed outlier: 4.357A  pdb=" N   MET T  80 " --> pdb=" O   PHE T  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'T' and resid 75 through 80'
    Processing helix  chain 'T' and resid 91 through 101
    Processing helix  chain 'T' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE T 118 " --> pdb=" O   GLU T 114 " (cutoff:3.500A)
    Processing helix  chain 'T' and resid 132 through 143
    Processing helix  chain 'T' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS T 161 " --> pdb=" O   PRO T 157 " (cutoff:3.500A)
    Processing helix  chain 'T' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE T 187 " --> pdb=" O   VAL T 183 " (cutoff:3.500A)
    Processing helix  chain 'T' and resid 204 through 222
    Processing helix  chain 'U' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS U  28 " --> pdb=" O   GLU U  24 " (cutoff:3.500A)
    Processing helix  chain 'U' and resid 39 through 53
    Processing helix  chain 'U' and resid 66 through 74
    Processing helix  chain 'U' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU U  79 " --> pdb=" O   SER U  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET U  80 " --> pdb=" O   PHE U  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'U' and resid 75 through 80'
    Processing helix  chain 'U' and resid 91 through 101
    Processing helix  chain 'U' and resid 112 through 123
      removed outlier: 3.611A  pdb=" N   PHE U 118 " --> pdb=" O   GLU U 114 " (cutoff:3.500A)
    Processing helix  chain 'U' and resid 132 through 143
    Processing helix  chain 'U' and resid 157 through 164
      removed outlier: 3.708A  pdb=" N   LYS U 161 " --> pdb=" O   PRO U 157 " (cutoff:3.500A)
    Processing helix  chain 'U' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE U 187 " --> pdb=" O   VAL U 183 " (cutoff:3.500A)
    Processing helix  chain 'U' and resid 204 through 222
    Processing helix  chain 'V' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS V  28 " --> pdb=" O   GLU V  24 " (cutoff:3.500A)
    Processing helix  chain 'V' and resid 39 through 53
    Processing helix  chain 'V' and resid 66 through 74
    Processing helix  chain 'V' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU V  79 " --> pdb=" O   SER V  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET V  80 " --> pdb=" O   PHE V  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'V' and resid 75 through 80'
    Processing helix  chain 'V' and resid 91 through 101
    Processing helix  chain 'V' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE V 118 " --> pdb=" O   GLU V 114 " (cutoff:3.500A)
    Processing helix  chain 'V' and resid 132 through 143
    Processing helix  chain 'V' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS V 161 " --> pdb=" O   PRO V 157 " (cutoff:3.500A)
    Processing helix  chain 'V' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE V 187 " --> pdb=" O   VAL V 183 " (cutoff:3.500A)
    Processing helix  chain 'V' and resid 204 through 222
    Processing helix  chain 'W' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS W  28 " --> pdb=" O   GLU W  24 " (cutoff:3.500A)
    Processing helix  chain 'W' and resid 39 through 53
    Processing helix  chain 'W' and resid 66 through 74
    Processing helix  chain 'W' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU W  79 " --> pdb=" O   SER W  75 " (cutoff:3.500A)
      removed outlier: 4.357A  pdb=" N   MET W  80 " --> pdb=" O   PHE W  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'W' and resid 75 through 80'
    Processing helix  chain 'W' and resid 91 through 101
    Processing helix  chain 'W' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE W 118 " --> pdb=" O   GLU W 114 " (cutoff:3.500A)
    Processing helix  chain 'W' and resid 132 through 143
    Processing helix  chain 'W' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS W 161 " --> pdb=" O   PRO W 157 " (cutoff:3.500A)
    Processing helix  chain 'W' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE W 187 " --> pdb=" O   VAL W 183 " (cutoff:3.500A)
    Processing helix  chain 'W' and resid 204 through 222
    Processing helix  chain 'X' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS X  28 " --> pdb=" O   GLU X  24 " (cutoff:3.500A)
    Processing helix  chain 'X' and resid 39 through 53
    Processing helix  chain 'X' and resid 66 through 74
    Processing helix  chain 'X' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU X  79 " --> pdb=" O   SER X  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET X  80 " --> pdb=" O   PHE X  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'X' and resid 75 through 80'
    Processing helix  chain 'X' and resid 91 through 101
    Processing helix  chain 'X' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE X 118 " --> pdb=" O   GLU X 114 " (cutoff:3.500A)
    Processing helix  chain 'X' and resid 132 through 143
    Processing helix  chain 'X' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS X 161 " --> pdb=" O   PRO X 157 " (cutoff:3.500A)
    Processing helix  chain 'X' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE X 187 " --> pdb=" O   VAL X 183 " (cutoff:3.500A)
    Processing helix  chain 'X' and resid 204 through 222
    Processing helix  chain 'Y' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS Y  28 " --> pdb=" O   GLU Y  24 " (cutoff:3.500A)
    Processing helix  chain 'Y' and resid 39 through 53
    Processing helix  chain 'Y' and resid 66 through 74
    Processing helix  chain 'Y' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU Y  79 " --> pdb=" O   SER Y  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET Y  80 " --> pdb=" O   PHE Y  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'Y' and resid 75 through 80'
    Processing helix  chain 'Y' and resid 91 through 101
    Processing helix  chain 'Y' and resid 112 through 123
      removed outlier: 3.611A  pdb=" N   PHE Y 118 " --> pdb=" O   GLU Y 114 " (cutoff:3.500A)
    Processing helix  chain 'Y' and resid 132 through 143
    Processing helix  chain 'Y' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS Y 161 " --> pdb=" O   PRO Y 157 " (cutoff:3.500A)
    Processing helix  chain 'Y' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE Y 187 " --> pdb=" O   VAL Y 183 " (cutoff:3.500A)
    Processing helix  chain 'Y' and resid 204 through 222
    Processing helix  chain 'Z' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS Z  28 " --> pdb=" O   GLU Z  24 " (cutoff:3.500A)
    Processing helix  chain 'Z' and resid 39 through 53
    Processing helix  chain 'Z' and resid 66 through 74
    Processing helix  chain 'Z' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU Z  79 " --> pdb=" O   SER Z  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET Z  80 " --> pdb=" O   PHE Z  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'Z' and resid 75 through 80'
    Processing helix  chain 'Z' and resid 91 through 101
    Processing helix  chain 'Z' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE Z 118 " --> pdb=" O   GLU Z 114 " (cutoff:3.500A)
    Processing helix  chain 'Z' and resid 132 through 143
    Processing helix  chain 'Z' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS Z 161 " --> pdb=" O   PRO Z 157 " (cutoff:3.500A)
    Processing helix  chain 'Z' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE Z 187 " --> pdb=" O   VAL Z 183 " (cutoff:3.500A)
    Processing helix  chain 'Z' and resid 204 through 222
    Processing helix  chain '0' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS 0  28 " --> pdb=" O   GLU 0  24 " (cutoff:3.500A)
    Processing helix  chain '0' and resid 39 through 53
    Processing helix  chain '0' and resid 66 through 74
    Processing helix  chain '0' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU 0  79 " --> pdb=" O   SER 0  75 " (cutoff:3.500A)
      removed outlier: 4.357A  pdb=" N   MET 0  80 " --> pdb=" O   PHE 0  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain '0' and resid 75 through 80'
    Processing helix  chain '0' and resid 91 through 101
    Processing helix  chain '0' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE 0 118 " --> pdb=" O   GLU 0 114 " (cutoff:3.500A)
    Processing helix  chain '0' and resid 132 through 143
    Processing helix  chain '0' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS 0 161 " --> pdb=" O   PRO 0 157 " (cutoff:3.500A)
    Processing helix  chain '0' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE 0 187 " --> pdb=" O   VAL 0 183 " (cutoff:3.500A)
    Processing helix  chain '0' and resid 204 through 222
    Processing helix  chain '1' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS 1  28 " --> pdb=" O   GLU 1  24 " (cutoff:3.500A)
    Processing helix  chain '1' and resid 39 through 53
    Processing helix  chain '1' and resid 66 through 74
    Processing helix  chain '1' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU 1  79 " --> pdb=" O   SER 1  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET 1  80 " --> pdb=" O   PHE 1  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain '1' and resid 75 through 80'
    Processing helix  chain '1' and resid 91 through 101
    Processing helix  chain '1' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE 1 118 " --> pdb=" O   GLU 1 114 " (cutoff:3.500A)
    Processing helix  chain '1' and resid 132 through 143
    Processing helix  chain '1' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS 1 161 " --> pdb=" O   PRO 1 157 " (cutoff:3.500A)
    Processing helix  chain '1' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE 1 187 " --> pdb=" O   VAL 1 183 " (cutoff:3.500A)
    Processing helix  chain '1' and resid 204 through 222
    Processing helix  chain '2' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS 2  28 " --> pdb=" O   GLU 2  24 " (cutoff:3.500A)
    Processing helix  chain '2' and resid 39 through 53
    Processing helix  chain '2' and resid 66 through 74
    Processing helix  chain '2' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU 2  79 " --> pdb=" O   SER 2  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET 2  80 " --> pdb=" O   PHE 2  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain '2' and resid 75 through 80'
    Processing helix  chain '2' and resid 91 through 101
    Processing helix  chain '2' and resid 112 through 123
      removed outlier: 3.611A  pdb=" N   PHE 2 118 " --> pdb=" O   GLU 2 114 " (cutoff:3.500A)
    Processing helix  chain '2' and resid 132 through 143
    Processing helix  chain '2' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS 2 161 " --> pdb=" O   PRO 2 157 " (cutoff:3.500A)
    Processing helix  chain '2' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE 2 187 " --> pdb=" O   VAL 2 183 " (cutoff:3.500A)
    Processing helix  chain '2' and resid 204 through 222
    Processing helix  chain '3' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS 3  28 " --> pdb=" O   GLU 3  24 " (cutoff:3.500A)
    Processing helix  chain '3' and resid 39 through 53
    Processing helix  chain '3' and resid 66 through 74
    Processing helix  chain '3' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU 3  79 " --> pdb=" O   SER 3  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET 3  80 " --> pdb=" O   PHE 3  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain '3' and resid 75 through 80'
    Processing helix  chain '3' and resid 91 through 101
    Processing helix  chain '3' and resid 112 through 123
      removed outlier: 3.611A  pdb=" N   PHE 3 118 " --> pdb=" O   GLU 3 114 " (cutoff:3.500A)
    Processing helix  chain '3' and resid 132 through 143
    Processing helix  chain '3' and resid 157 through 164
      removed outlier: 3.708A  pdb=" N   LYS 3 161 " --> pdb=" O   PRO 3 157 " (cutoff:3.500A)
    Processing helix  chain '3' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE 3 187 " --> pdb=" O   VAL 3 183 " (cutoff:3.500A)
    Processing helix  chain '3' and resid 204 through 222
    Processing helix  chain '4' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS 4  28 " --> pdb=" O   GLU 4  24 " (cutoff:3.500A)
    Processing helix  chain '4' and resid 39 through 53
    Processing helix  chain '4' and resid 66 through 74
    Processing helix  chain '4' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU 4  79 " --> pdb=" O   SER 4  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET 4  80 " --> pdb=" O   PHE 4  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain '4' and resid 75 through 80'
    Processing helix  chain '4' and resid 91 through 101
    Processing helix  chain '4' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE 4 118 " --> pdb=" O   GLU 4 114 " (cutoff:3.500A)
    Processing helix  chain '4' and resid 132 through 143
    Processing helix  chain '4' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS 4 161 " --> pdb=" O   PRO 4 157 " (cutoff:3.500A)
    Processing helix  chain '4' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE 4 187 " --> pdb=" O   VAL 4 183 " (cutoff:3.500A)
    Processing helix  chain '4' and resid 204 through 222
    Processing helix  chain '5' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS 5  28 " --> pdb=" O   GLU 5  24 " (cutoff:3.500A)
    Processing helix  chain '5' and resid 39 through 53
    Processing helix  chain '5' and resid 66 through 74
    Processing helix  chain '5' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU 5  79 " --> pdb=" O   SER 5  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET 5  80 " --> pdb=" O   PHE 5  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain '5' and resid 75 through 80'
    Processing helix  chain '5' and resid 91 through 101
    Processing helix  chain '5' and resid 112 through 123
      removed outlier: 3.611A  pdb=" N   PHE 5 118 " --> pdb=" O   GLU 5 114 " (cutoff:3.500A)
    Processing helix  chain '5' and resid 132 through 143
    Processing helix  chain '5' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS 5 161 " --> pdb=" O   PRO 5 157 " (cutoff:3.500A)
    Processing helix  chain '5' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE 5 187 " --> pdb=" O   VAL 5 183 " (cutoff:3.500A)
    Processing helix  chain '5' and resid 204 through 222
    Processing helix  chain '6' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS 6  28 " --> pdb=" O   GLU 6  24 " (cutoff:3.500A)
    Processing helix  chain '6' and resid 39 through 53
    Processing helix  chain '6' and resid 66 through 74
    Processing helix  chain '6' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU 6  79 " --> pdb=" O   SER 6  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET 6  80 " --> pdb=" O   PHE 6  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain '6' and resid 75 through 80'
    Processing helix  chain '6' and resid 91 through 101
    Processing helix  chain '6' and resid 112 through 123
      removed outlier: 3.611A  pdb=" N   PHE 6 118 " --> pdb=" O   GLU 6 114 " (cutoff:3.500A)
    Processing helix  chain '6' and resid 132 through 143
    Processing helix  chain '6' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS 6 161 " --> pdb=" O   PRO 6 157 " (cutoff:3.500A)
    Processing helix  chain '6' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE 6 187 " --> pdb=" O   VAL 6 183 " (cutoff:3.500A)
    Processing helix  chain '6' and resid 204 through 222
    Processing helix  chain '7' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS 7  28 " --> pdb=" O   GLU 7  24 " (cutoff:3.500A)
    Processing helix  chain '7' and resid 39 through 53
    Processing helix  chain '7' and resid 66 through 74
    Processing helix  chain '7' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU 7  79 " --> pdb=" O   SER 7  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET 7  80 " --> pdb=" O   PHE 7  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain '7' and resid 75 through 80'
    Processing helix  chain '7' and resid 91 through 101
    Processing helix  chain '7' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE 7 118 " --> pdb=" O   GLU 7 114 " (cutoff:3.500A)
    Processing helix  chain '7' and resid 132 through 143
    Processing helix  chain '7' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS 7 161 " --> pdb=" O   PRO 7 157 " (cutoff:3.500A)
    Processing helix  chain '7' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE 7 187 " --> pdb=" O   VAL 7 183 " (cutoff:3.500A)
    Processing helix  chain '7' and resid 204 through 222
    Processing helix  chain '8' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS 8  28 " --> pdb=" O   GLU 8  24 " (cutoff:3.500A)
    Processing helix  chain '8' and resid 39 through 53
    Processing helix  chain '8' and resid 66 through 74
    Processing helix  chain '8' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU 8  79 " --> pdb=" O   SER 8  75 " (cutoff:3.500A)
      removed outlier: 4.357A  pdb=" N   MET 8  80 " --> pdb=" O   PHE 8  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain '8' and resid 75 through 80'
    Processing helix  chain '8' and resid 91 through 101
    Processing helix  chain '8' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE 8 118 " --> pdb=" O   GLU 8 114 " (cutoff:3.500A)
    Processing helix  chain '8' and resid 132 through 143
    Processing helix  chain '8' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS 8 161 " --> pdb=" O   PRO 8 157 " (cutoff:3.500A)
    Processing helix  chain '8' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE 8 187 " --> pdb=" O   VAL 8 183 " (cutoff:3.500A)
    Processing helix  chain '8' and resid 204 through 222
    Processing helix  chain '9' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS 9  28 " --> pdb=" O   GLU 9  24 " (cutoff:3.500A)
    Processing helix  chain '9' and resid 39 through 53
    Processing helix  chain '9' and resid 66 through 74
    Processing helix  chain '9' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU 9  79 " --> pdb=" O   SER 9  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET 9  80 " --> pdb=" O   PHE 9  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain '9' and resid 75 through 80'
    Processing helix  chain '9' and resid 91 through 101
    Processing helix  chain '9' and resid 112 through 123
      removed outlier: 3.611A  pdb=" N   PHE 9 118 " --> pdb=" O   GLU 9 114 " (cutoff:3.500A)
    Processing helix  chain '9' and resid 132 through 143
    Processing helix  chain '9' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS 9 161 " --> pdb=" O   PRO 9 157 " (cutoff:3.500A)
    Processing helix  chain '9' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE 9 187 " --> pdb=" O   VAL 9 183 " (cutoff:3.500A)
    Processing helix  chain '9' and resid 204 through 222
    Processing helix  chain 'a' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS a  28 " --> pdb=" O   GLU a  24 " (cutoff:3.500A)
    Processing helix  chain 'a' and resid 39 through 53
    Processing helix  chain 'a' and resid 66 through 74
    Processing helix  chain 'a' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU a  79 " --> pdb=" O   SER a  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET a  80 " --> pdb=" O   PHE a  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'a' and resid 75 through 80'
    Processing helix  chain 'a' and resid 91 through 101
    Processing helix  chain 'a' and resid 112 through 123
      removed outlier: 3.611A  pdb=" N   PHE a 118 " --> pdb=" O   GLU a 114 " (cutoff:3.500A)
    Processing helix  chain 'a' and resid 132 through 143
    Processing helix  chain 'a' and resid 157 through 164
      removed outlier: 3.708A  pdb=" N   LYS a 161 " --> pdb=" O   PRO a 157 " (cutoff:3.500A)
    Processing helix  chain 'a' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE a 187 " --> pdb=" O   VAL a 183 " (cutoff:3.500A)
    Processing helix  chain 'a' and resid 204 through 222
    Processing helix  chain 'b' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS b  28 " --> pdb=" O   GLU b  24 " (cutoff:3.500A)
    Processing helix  chain 'b' and resid 39 through 53
    Processing helix  chain 'b' and resid 66 through 74
    Processing helix  chain 'b' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU b  79 " --> pdb=" O   SER b  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET b  80 " --> pdb=" O   PHE b  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'b' and resid 75 through 80'
    Processing helix  chain 'b' and resid 91 through 101
    Processing helix  chain 'b' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE b 118 " --> pdb=" O   GLU b 114 " (cutoff:3.500A)
    Processing helix  chain 'b' and resid 132 through 143
    Processing helix  chain 'b' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS b 161 " --> pdb=" O   PRO b 157 " (cutoff:3.500A)
    Processing helix  chain 'b' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE b 187 " --> pdb=" O   VAL b 183 " (cutoff:3.500A)
    Processing helix  chain 'b' and resid 204 through 222
    Processing helix  chain 'c' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS c  28 " --> pdb=" O   GLU c  24 " (cutoff:3.500A)
    Processing helix  chain 'c' and resid 39 through 53
    Processing helix  chain 'c' and resid 66 through 74
    Processing helix  chain 'c' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU c  79 " --> pdb=" O   SER c  75 " (cutoff:3.500A)
      removed outlier: 4.357A  pdb=" N   MET c  80 " --> pdb=" O   PHE c  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'c' and resid 75 through 80'
    Processing helix  chain 'c' and resid 91 through 101
    Processing helix  chain 'c' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE c 118 " --> pdb=" O   GLU c 114 " (cutoff:3.500A)
    Processing helix  chain 'c' and resid 132 through 143
    Processing helix  chain 'c' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS c 161 " --> pdb=" O   PRO c 157 " (cutoff:3.500A)
    Processing helix  chain 'c' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE c 187 " --> pdb=" O   VAL c 183 " (cutoff:3.500A)
    Processing helix  chain 'c' and resid 204 through 222
    Processing helix  chain 'd' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS d  28 " --> pdb=" O   GLU d  24 " (cutoff:3.500A)
    Processing helix  chain 'd' and resid 39 through 53
    Processing helix  chain 'd' and resid 66 through 74
    Processing helix  chain 'd' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU d  79 " --> pdb=" O   SER d  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET d  80 " --> pdb=" O   PHE d  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'd' and resid 75 through 80'
    Processing helix  chain 'd' and resid 91 through 101
    Processing helix  chain 'd' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE d 118 " --> pdb=" O   GLU d 114 " (cutoff:3.500A)
    Processing helix  chain 'd' and resid 132 through 143
    Processing helix  chain 'd' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS d 161 " --> pdb=" O   PRO d 157 " (cutoff:3.500A)
    Processing helix  chain 'd' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE d 187 " --> pdb=" O   VAL d 183 " (cutoff:3.500A)
    Processing helix  chain 'd' and resid 204 through 222
    Processing helix  chain 'e' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS e  28 " --> pdb=" O   GLU e  24 " (cutoff:3.500A)
    Processing helix  chain 'e' and resid 39 through 53
    Processing helix  chain 'e' and resid 66 through 74
    Processing helix  chain 'e' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU e  79 " --> pdb=" O   SER e  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET e  80 " --> pdb=" O   PHE e  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'e' and resid 75 through 80'
    Processing helix  chain 'e' and resid 91 through 101
    Processing helix  chain 'e' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE e 118 " --> pdb=" O   GLU e 114 " (cutoff:3.500A)
    Processing helix  chain 'e' and resid 132 through 143
    Processing helix  chain 'e' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS e 161 " --> pdb=" O   PRO e 157 " (cutoff:3.500A)
    Processing helix  chain 'e' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE e 187 " --> pdb=" O   VAL e 183 " (cutoff:3.500A)
    Processing helix  chain 'e' and resid 204 through 222
    Processing helix  chain 'f' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS f  28 " --> pdb=" O   GLU f  24 " (cutoff:3.500A)
    Processing helix  chain 'f' and resid 39 through 53
    Processing helix  chain 'f' and resid 66 through 74
    Processing helix  chain 'f' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU f  79 " --> pdb=" O   SER f  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET f  80 " --> pdb=" O   PHE f  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'f' and resid 75 through 80'
    Processing helix  chain 'f' and resid 91 through 101
    Processing helix  chain 'f' and resid 112 through 123
      removed outlier: 3.611A  pdb=" N   PHE f 118 " --> pdb=" O   GLU f 114 " (cutoff:3.500A)
    Processing helix  chain 'f' and resid 132 through 143
    Processing helix  chain 'f' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS f 161 " --> pdb=" O   PRO f 157 " (cutoff:3.500A)
    Processing helix  chain 'f' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE f 187 " --> pdb=" O   VAL f 183 " (cutoff:3.500A)
    Processing helix  chain 'f' and resid 204 through 222
    Processing helix  chain 'g' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS g  28 " --> pdb=" O   GLU g  24 " (cutoff:3.500A)
    Processing helix  chain 'g' and resid 39 through 53
    Processing helix  chain 'g' and resid 66 through 74
    Processing helix  chain 'g' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU g  79 " --> pdb=" O   SER g  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET g  80 " --> pdb=" O   PHE g  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'g' and resid 75 through 80'
    Processing helix  chain 'g' and resid 91 through 101
    Processing helix  chain 'g' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE g 118 " --> pdb=" O   GLU g 114 " (cutoff:3.500A)
    Processing helix  chain 'g' and resid 132 through 143
    Processing helix  chain 'g' and resid 157 through 164
      removed outlier: 3.708A  pdb=" N   LYS g 161 " --> pdb=" O   PRO g 157 " (cutoff:3.500A)
    Processing helix  chain 'g' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE g 187 " --> pdb=" O   VAL g 183 " (cutoff:3.500A)
    Processing helix  chain 'g' and resid 204 through 222
    Processing helix  chain 'h' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS h  28 " --> pdb=" O   GLU h  24 " (cutoff:3.500A)
    Processing helix  chain 'h' and resid 39 through 53
    Processing helix  chain 'h' and resid 66 through 74
    Processing helix  chain 'h' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU h  79 " --> pdb=" O   SER h  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET h  80 " --> pdb=" O   PHE h  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'h' and resid 75 through 80'
    Processing helix  chain 'h' and resid 91 through 101
    Processing helix  chain 'h' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE h 118 " --> pdb=" O   GLU h 114 " (cutoff:3.500A)
    Processing helix  chain 'h' and resid 132 through 143
    Processing helix  chain 'h' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS h 161 " --> pdb=" O   PRO h 157 " (cutoff:3.500A)
    Processing helix  chain 'h' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE h 187 " --> pdb=" O   VAL h 183 " (cutoff:3.500A)
    Processing helix  chain 'h' and resid 204 through 222
    Processing helix  chain 'i' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS i  28 " --> pdb=" O   GLU i  24 " (cutoff:3.500A)
    Processing helix  chain 'i' and resid 39 through 53
    Processing helix  chain 'i' and resid 66 through 74
    Processing helix  chain 'i' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU i  79 " --> pdb=" O   SER i  75 " (cutoff:3.500A)
      removed outlier: 4.357A  pdb=" N   MET i  80 " --> pdb=" O   PHE i  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'i' and resid 75 through 80'
    Processing helix  chain 'i' and resid 91 through 101
    Processing helix  chain 'i' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE i 118 " --> pdb=" O   GLU i 114 " (cutoff:3.500A)
    Processing helix  chain 'i' and resid 132 through 143
    Processing helix  chain 'i' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS i 161 " --> pdb=" O   PRO i 157 " (cutoff:3.500A)
    Processing helix  chain 'i' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE i 187 " --> pdb=" O   VAL i 183 " (cutoff:3.500A)
    Processing helix  chain 'i' and resid 204 through 222
    Processing helix  chain 'j' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS j  28 " --> pdb=" O   GLU j  24 " (cutoff:3.500A)
    Processing helix  chain 'j' and resid 39 through 53
    Processing helix  chain 'j' and resid 66 through 74
    Processing helix  chain 'j' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU j  79 " --> pdb=" O   SER j  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET j  80 " --> pdb=" O   PHE j  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'j' and resid 75 through 80'
    Processing helix  chain 'j' and resid 91 through 101
    Processing helix  chain 'j' and resid 112 through 123
      removed outlier: 3.611A  pdb=" N   PHE j 118 " --> pdb=" O   GLU j 114 " (cutoff:3.500A)
    Processing helix  chain 'j' and resid 132 through 143
    Processing helix  chain 'j' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS j 161 " --> pdb=" O   PRO j 157 " (cutoff:3.500A)
    Processing helix  chain 'j' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE j 187 " --> pdb=" O   VAL j 183 " (cutoff:3.500A)
    Processing helix  chain 'j' and resid 204 through 222
    Processing helix  chain 'k' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS k  28 " --> pdb=" O   GLU k  24 " (cutoff:3.500A)
    Processing helix  chain 'k' and resid 39 through 53
    Processing helix  chain 'k' and resid 66 through 74
    Processing helix  chain 'k' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU k  79 " --> pdb=" O   SER k  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET k  80 " --> pdb=" O   PHE k  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'k' and resid 75 through 80'
    Processing helix  chain 'k' and resid 91 through 101
    Processing helix  chain 'k' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE k 118 " --> pdb=" O   GLU k 114 " (cutoff:3.500A)
    Processing helix  chain 'k' and resid 132 through 143
    Processing helix  chain 'k' and resid 157 through 164
      removed outlier: 3.708A  pdb=" N   LYS k 161 " --> pdb=" O   PRO k 157 " (cutoff:3.500A)
    Processing helix  chain 'k' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE k 187 " --> pdb=" O   VAL k 183 " (cutoff:3.500A)
    Processing helix  chain 'k' and resid 204 through 222
    Processing helix  chain 'l' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS l  28 " --> pdb=" O   GLU l  24 " (cutoff:3.500A)
    Processing helix  chain 'l' and resid 39 through 53
    Processing helix  chain 'l' and resid 66 through 74
    Processing helix  chain 'l' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU l  79 " --> pdb=" O   SER l  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET l  80 " --> pdb=" O   PHE l  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'l' and resid 75 through 80'
    Processing helix  chain 'l' and resid 91 through 101
    Processing helix  chain 'l' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE l 118 " --> pdb=" O   GLU l 114 " (cutoff:3.500A)
    Processing helix  chain 'l' and resid 132 through 143
    Processing helix  chain 'l' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS l 161 " --> pdb=" O   PRO l 157 " (cutoff:3.500A)
    Processing helix  chain 'l' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE l 187 " --> pdb=" O   VAL l 183 " (cutoff:3.500A)
    Processing helix  chain 'l' and resid 204 through 222
    Processing helix  chain 'm' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS m  28 " --> pdb=" O   GLU m  24 " (cutoff:3.500A)
    Processing helix  chain 'm' and resid 39 through 53
    Processing helix  chain 'm' and resid 66 through 74
    Processing helix  chain 'm' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU m  79 " --> pdb=" O   SER m  75 " (cutoff:3.500A)
      removed outlier: 4.357A  pdb=" N   MET m  80 " --> pdb=" O   PHE m  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'm' and resid 75 through 80'
    Processing helix  chain 'm' and resid 91 through 101
    Processing helix  chain 'm' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE m 118 " --> pdb=" O   GLU m 114 " (cutoff:3.500A)
    Processing helix  chain 'm' and resid 132 through 143
    Processing helix  chain 'm' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS m 161 " --> pdb=" O   PRO m 157 " (cutoff:3.500A)
    Processing helix  chain 'm' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE m 187 " --> pdb=" O   VAL m 183 " (cutoff:3.500A)
    Processing helix  chain 'm' and resid 204 through 222
    Processing helix  chain 'n' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS n  28 " --> pdb=" O   GLU n  24 " (cutoff:3.500A)
    Processing helix  chain 'n' and resid 39 through 53
    Processing helix  chain 'n' and resid 66 through 74
    Processing helix  chain 'n' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU n  79 " --> pdb=" O   SER n  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET n  80 " --> pdb=" O   PHE n  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'n' and resid 75 through 80'
    Processing helix  chain 'n' and resid 91 through 101
    Processing helix  chain 'n' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE n 118 " --> pdb=" O   GLU n 114 " (cutoff:3.500A)
    Processing helix  chain 'n' and resid 132 through 143
    Processing helix  chain 'n' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS n 161 " --> pdb=" O   PRO n 157 " (cutoff:3.500A)
    Processing helix  chain 'n' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE n 187 " --> pdb=" O   VAL n 183 " (cutoff:3.500A)
    Processing helix  chain 'n' and resid 204 through 222
    Processing helix  chain 'o' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS o  28 " --> pdb=" O   GLU o  24 " (cutoff:3.500A)
    Processing helix  chain 'o' and resid 39 through 53
    Processing helix  chain 'o' and resid 66 through 74
    Processing helix  chain 'o' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU o  79 " --> pdb=" O   SER o  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET o  80 " --> pdb=" O   PHE o  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'o' and resid 75 through 80'
    Processing helix  chain 'o' and resid 91 through 101
    Processing helix  chain 'o' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE o 118 " --> pdb=" O   GLU o 114 " (cutoff:3.500A)
    Processing helix  chain 'o' and resid 132 through 143
    Processing helix  chain 'o' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS o 161 " --> pdb=" O   PRO o 157 " (cutoff:3.500A)
    Processing helix  chain 'o' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE o 187 " --> pdb=" O   VAL o 183 " (cutoff:3.500A)
    Processing helix  chain 'o' and resid 204 through 222
    Processing helix  chain 'p' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS p  28 " --> pdb=" O   GLU p  24 " (cutoff:3.500A)
    Processing helix  chain 'p' and resid 39 through 53
    Processing helix  chain 'p' and resid 66 through 74
    Processing helix  chain 'p' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU p  79 " --> pdb=" O   SER p  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET p  80 " --> pdb=" O   PHE p  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'p' and resid 75 through 80'
    Processing helix  chain 'p' and resid 91 through 101
    Processing helix  chain 'p' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE p 118 " --> pdb=" O   GLU p 114 " (cutoff:3.500A)
    Processing helix  chain 'p' and resid 132 through 143
    Processing helix  chain 'p' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS p 161 " --> pdb=" O   PRO p 157 " (cutoff:3.500A)
    Processing helix  chain 'p' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE p 187 " --> pdb=" O   VAL p 183 " (cutoff:3.500A)
    Processing helix  chain 'p' and resid 204 through 222
    Processing helix  chain 'q' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS q  28 " --> pdb=" O   GLU q  24 " (cutoff:3.500A)
    Processing helix  chain 'q' and resid 39 through 53
    Processing helix  chain 'q' and resid 66 through 74
    Processing helix  chain 'q' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU q  79 " --> pdb=" O   SER q  75 " (cutoff:3.500A)
      removed outlier: 4.357A  pdb=" N   MET q  80 " --> pdb=" O   PHE q  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'q' and resid 75 through 80'
    Processing helix  chain 'q' and resid 91 through 101
    Processing helix  chain 'q' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE q 118 " --> pdb=" O   GLU q 114 " (cutoff:3.500A)
    Processing helix  chain 'q' and resid 132 through 143
    Processing helix  chain 'q' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS q 161 " --> pdb=" O   PRO q 157 " (cutoff:3.500A)
    Processing helix  chain 'q' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE q 187 " --> pdb=" O   VAL q 183 " (cutoff:3.500A)
    Processing helix  chain 'q' and resid 204 through 222
    Processing helix  chain 'r' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS r  28 " --> pdb=" O   GLU r  24 " (cutoff:3.500A)
    Processing helix  chain 'r' and resid 39 through 53
    Processing helix  chain 'r' and resid 66 through 74
    Processing helix  chain 'r' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU r  79 " --> pdb=" O   SER r  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET r  80 " --> pdb=" O   PHE r  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'r' and resid 75 through 80'
    Processing helix  chain 'r' and resid 91 through 101
    Processing helix  chain 'r' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE r 118 " --> pdb=" O   GLU r 114 " (cutoff:3.500A)
    Processing helix  chain 'r' and resid 132 through 143
    Processing helix  chain 'r' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS r 161 " --> pdb=" O   PRO r 157 " (cutoff:3.500A)
    Processing helix  chain 'r' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE r 187 " --> pdb=" O   VAL r 183 " (cutoff:3.500A)
    Processing helix  chain 'r' and resid 204 through 222
    Processing helix  chain 's' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS s  28 " --> pdb=" O   GLU s  24 " (cutoff:3.500A)
    Processing helix  chain 's' and resid 39 through 53
    Processing helix  chain 's' and resid 66 through 74
    Processing helix  chain 's' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU s  79 " --> pdb=" O   SER s  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET s  80 " --> pdb=" O   PHE s  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 's' and resid 75 through 80'
    Processing helix  chain 's' and resid 91 through 101
    Processing helix  chain 's' and resid 112 through 123
      removed outlier: 3.611A  pdb=" N   PHE s 118 " --> pdb=" O   GLU s 114 " (cutoff:3.500A)
    Processing helix  chain 's' and resid 132 through 143
    Processing helix  chain 's' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS s 161 " --> pdb=" O   PRO s 157 " (cutoff:3.500A)
    Processing helix  chain 's' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE s 187 " --> pdb=" O   VAL s 183 " (cutoff:3.500A)
    Processing helix  chain 's' and resid 204 through 222
    Processing helix  chain 't' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS t  28 " --> pdb=" O   GLU t  24 " (cutoff:3.500A)
    Processing helix  chain 't' and resid 39 through 53
    Processing helix  chain 't' and resid 66 through 74
    Processing helix  chain 't' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU t  79 " --> pdb=" O   SER t  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET t  80 " --> pdb=" O   PHE t  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 't' and resid 75 through 80'
    Processing helix  chain 't' and resid 91 through 101
    Processing helix  chain 't' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE t 118 " --> pdb=" O   GLU t 114 " (cutoff:3.500A)
    Processing helix  chain 't' and resid 132 through 143
    Processing helix  chain 't' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS t 161 " --> pdb=" O   PRO t 157 " (cutoff:3.500A)
    Processing helix  chain 't' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE t 187 " --> pdb=" O   VAL t 183 " (cutoff:3.500A)
    Processing helix  chain 't' and resid 204 through 222
    Processing helix  chain 'u' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS u  28 " --> pdb=" O   GLU u  24 " (cutoff:3.500A)
    Processing helix  chain 'u' and resid 39 through 53
    Processing helix  chain 'u' and resid 66 through 74
    Processing helix  chain 'u' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU u  79 " --> pdb=" O   SER u  75 " (cutoff:3.500A)
      removed outlier: 4.357A  pdb=" N   MET u  80 " --> pdb=" O   PHE u  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'u' and resid 75 through 80'
    Processing helix  chain 'u' and resid 91 through 101
    Processing helix  chain 'u' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE u 118 " --> pdb=" O   GLU u 114 " (cutoff:3.500A)
    Processing helix  chain 'u' and resid 132 through 143
    Processing helix  chain 'u' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS u 161 " --> pdb=" O   PRO u 157 " (cutoff:3.500A)
    Processing helix  chain 'u' and resid 182 through 190
      removed outlier: 3.769A  pdb=" N   PHE u 187 " --> pdb=" O   VAL u 183 " (cutoff:3.500A)
    Processing helix  chain 'u' and resid 204 through 222
    Processing helix  chain 'v' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS v  28 " --> pdb=" O   GLU v  24 " (cutoff:3.500A)
    Processing helix  chain 'v' and resid 39 through 53
    Processing helix  chain 'v' and resid 66 through 74
    Processing helix  chain 'v' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU v  79 " --> pdb=" O   SER v  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET v  80 " --> pdb=" O   PHE v  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'v' and resid 75 through 80'
    Processing helix  chain 'v' and resid 91 through 101
    Processing helix  chain 'v' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE v 118 " --> pdb=" O   GLU v 114 " (cutoff:3.500A)
    Processing helix  chain 'v' and resid 132 through 143
    Processing helix  chain 'v' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS v 161 " --> pdb=" O   PRO v 157 " (cutoff:3.500A)
    Processing helix  chain 'v' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE v 187 " --> pdb=" O   VAL v 183 " (cutoff:3.500A)
    Processing helix  chain 'v' and resid 204 through 222
    Processing helix  chain 'w' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS w  28 " --> pdb=" O   GLU w  24 " (cutoff:3.500A)
    Processing helix  chain 'w' and resid 39 through 53
    Processing helix  chain 'w' and resid 66 through 74
    Processing helix  chain 'w' and resid 75 through 80
      removed outlier: 4.300A  pdb=" N   GLU w  79 " --> pdb=" O   SER w  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET w  80 " --> pdb=" O   PHE w  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'w' and resid 75 through 80'
    Processing helix  chain 'w' and resid 91 through 101
    Processing helix  chain 'w' and resid 112 through 123
      removed outlier: 3.611A  pdb=" N   PHE w 118 " --> pdb=" O   GLU w 114 " (cutoff:3.500A)
    Processing helix  chain 'w' and resid 132 through 143
    Processing helix  chain 'w' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS w 161 " --> pdb=" O   PRO w 157 " (cutoff:3.500A)
    Processing helix  chain 'w' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE w 187 " --> pdb=" O   VAL w 183 " (cutoff:3.500A)
    Processing helix  chain 'w' and resid 204 through 222
    Processing helix  chain 'x' and resid 24 through 30
      removed outlier: 3.729A  pdb=" N   LYS x  28 " --> pdb=" O   GLU x  24 " (cutoff:3.500A)
    Processing helix  chain 'x' and resid 39 through 53
    Processing helix  chain 'x' and resid 66 through 74
    Processing helix  chain 'x' and resid 75 through 80
      removed outlier: 4.301A  pdb=" N   GLU x  79 " --> pdb=" O   SER x  75 " (cutoff:3.500A)
      removed outlier: 4.358A  pdb=" N   MET x  80 " --> pdb=" O   PHE x  76 " (cutoff:3.500A)
      No H-bonds generated for 'chain 'x' and resid 75 through 80'
    Processing helix  chain 'x' and resid 91 through 101
    Processing helix  chain 'x' and resid 112 through 123
      removed outlier: 3.610A  pdb=" N   PHE x 118 " --> pdb=" O   GLU x 114 " (cutoff:3.500A)
    Processing helix  chain 'x' and resid 132 through 143
    Processing helix  chain 'x' and resid 157 through 164
      removed outlier: 3.709A  pdb=" N   LYS x 161 " --> pdb=" O   PRO x 157 " (cutoff:3.500A)
    Processing helix  chain 'x' and resid 182 through 190
      removed outlier: 3.770A  pdb=" N   PHE x 187 " --> pdb=" O   VAL x 183 " (cutoff:3.500A)
    Processing helix  chain 'x' and resid 204 through 222
    Processing sheet with id=  1, first strand: chain 'A' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE A  31 " --> pdb=" O   LEU A  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU A  59 " --> pdb=" O   ILE A  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA A  33 " --> pdb=" O   GLU A  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR A  61 " --> pdb=" O   ALA A  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU A  35 " --> pdb=" O   THR A  61 " (cutoff:3.500A)
    Processing sheet with id=  2, first strand: chain 'A' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE A 106 " --> pdb=" O   MET A 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=  2
    Processing sheet with id=  3, first strand: chain 'A' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU A 147 " --> pdb=" O   VAL A 173 " (cutoff:3.500A)
    Processing sheet with id=  4, first strand: chain 'B' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE B  31 " --> pdb=" O   LEU B  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU B  59 " --> pdb=" O   ILE B  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA B  33 " --> pdb=" O   GLU B  59 " (cutoff:3.500A)
      removed outlier: 6.542A  pdb=" N   THR B  61 " --> pdb=" O   ALA B  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU B  35 " --> pdb=" O   THR B  61 " (cutoff:3.500A)
    Processing sheet with id=  5, first strand: chain 'B' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE B 106 " --> pdb=" O   MET B 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=  5
    Processing sheet with id=  6, first strand: chain 'B' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU B 147 " --> pdb=" O   VAL B 173 " (cutoff:3.500A)
    Processing sheet with id=  7, first strand: chain 'C' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE C  31 " --> pdb=" O   LEU C  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU C  59 " --> pdb=" O   ILE C  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA C  33 " --> pdb=" O   GLU C  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR C  61 " --> pdb=" O   ALA C  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU C  35 " --> pdb=" O   THR C  61 " (cutoff:3.500A)
    Processing sheet with id=  8, first strand: chain 'C' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE C 106 " --> pdb=" O   MET C 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=  8
    Processing sheet with id=  9, first strand: chain 'C' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU C 147 " --> pdb=" O   VAL C 173 " (cutoff:3.500A)
    Processing sheet with id= 10, first strand: chain 'D' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE D  31 " --> pdb=" O   LEU D  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU D  59 " --> pdb=" O   ILE D  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA D  33 " --> pdb=" O   GLU D  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR D  61 " --> pdb=" O   ALA D  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU D  35 " --> pdb=" O   THR D  61 " (cutoff:3.500A)
    Processing sheet with id= 11, first strand: chain 'D' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE D 106 " --> pdb=" O   MET D 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 11
    Processing sheet with id= 12, first strand: chain 'D' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU D 147 " --> pdb=" O   VAL D 173 " (cutoff:3.500A)
    Processing sheet with id= 13, first strand: chain 'E' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE E  31 " --> pdb=" O   LEU E  57 " (cutoff:3.500A)
      removed outlier: 7.579A  pdb=" N   GLU E  59 " --> pdb=" O   ILE E  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA E  33 " --> pdb=" O   GLU E  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR E  61 " --> pdb=" O   ALA E  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU E  35 " --> pdb=" O   THR E  61 " (cutoff:3.500A)
    Processing sheet with id= 14, first strand: chain 'E' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE E 106 " --> pdb=" O   MET E 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 14
    Processing sheet with id= 15, first strand: chain 'E' and resid 129 through 130
      removed outlier: 6.766A  pdb=" N   LEU E 147 " --> pdb=" O   VAL E 173 " (cutoff:3.500A)
    Processing sheet with id= 16, first strand: chain 'F' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE F  31 " --> pdb=" O   LEU F  57 " (cutoff:3.500A)
      removed outlier: 7.579A  pdb=" N   GLU F  59 " --> pdb=" O   ILE F  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA F  33 " --> pdb=" O   GLU F  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR F  61 " --> pdb=" O   ALA F  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU F  35 " --> pdb=" O   THR F  61 " (cutoff:3.500A)
    Processing sheet with id= 17, first strand: chain 'F' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE F 106 " --> pdb=" O   MET F 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 17
    Processing sheet with id= 18, first strand: chain 'F' and resid 129 through 130
      removed outlier: 6.766A  pdb=" N   LEU F 147 " --> pdb=" O   VAL F 173 " (cutoff:3.500A)
    Processing sheet with id= 19, first strand: chain 'G' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE G  31 " --> pdb=" O   LEU G  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU G  59 " --> pdb=" O   ILE G  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA G  33 " --> pdb=" O   GLU G  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR G  61 " --> pdb=" O   ALA G  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU G  35 " --> pdb=" O   THR G  61 " (cutoff:3.500A)
    Processing sheet with id= 20, first strand: chain 'G' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE G 106 " --> pdb=" O   MET G 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 20
    Processing sheet with id= 21, first strand: chain 'G' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU G 147 " --> pdb=" O   VAL G 173 " (cutoff:3.500A)
    Processing sheet with id= 22, first strand: chain 'H' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE H  31 " --> pdb=" O   LEU H  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU H  59 " --> pdb=" O   ILE H  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA H  33 " --> pdb=" O   GLU H  59 " (cutoff:3.500A)
      removed outlier: 6.542A  pdb=" N   THR H  61 " --> pdb=" O   ALA H  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU H  35 " --> pdb=" O   THR H  61 " (cutoff:3.500A)
    Processing sheet with id= 23, first strand: chain 'H' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE H 106 " --> pdb=" O   MET H 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 23
    Processing sheet with id= 24, first strand: chain 'H' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU H 147 " --> pdb=" O   VAL H 173 " (cutoff:3.500A)
    Processing sheet with id= 25, first strand: chain 'I' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE I  31 " --> pdb=" O   LEU I  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU I  59 " --> pdb=" O   ILE I  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA I  33 " --> pdb=" O   GLU I  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR I  61 " --> pdb=" O   ALA I  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU I  35 " --> pdb=" O   THR I  61 " (cutoff:3.500A)
    Processing sheet with id= 26, first strand: chain 'I' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE I 106 " --> pdb=" O   MET I 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 26
    Processing sheet with id= 27, first strand: chain 'I' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU I 147 " --> pdb=" O   VAL I 173 " (cutoff:3.500A)
    Processing sheet with id= 28, first strand: chain 'J' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE J  31 " --> pdb=" O   LEU J  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU J  59 " --> pdb=" O   ILE J  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA J  33 " --> pdb=" O   GLU J  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR J  61 " --> pdb=" O   ALA J  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU J  35 " --> pdb=" O   THR J  61 " (cutoff:3.500A)
    Processing sheet with id= 29, first strand: chain 'J' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE J 106 " --> pdb=" O   MET J 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 29
    Processing sheet with id= 30, first strand: chain 'J' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU J 147 " --> pdb=" O   VAL J 173 " (cutoff:3.500A)
    Processing sheet with id= 31, first strand: chain 'K' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE K  31 " --> pdb=" O   LEU K  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU K  59 " --> pdb=" O   ILE K  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA K  33 " --> pdb=" O   GLU K  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR K  61 " --> pdb=" O   ALA K  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU K  35 " --> pdb=" O   THR K  61 " (cutoff:3.500A)
    Processing sheet with id= 32, first strand: chain 'K' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE K 106 " --> pdb=" O   MET K 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 32
    Processing sheet with id= 33, first strand: chain 'K' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU K 147 " --> pdb=" O   VAL K 173 " (cutoff:3.500A)
    Processing sheet with id= 34, first strand: chain 'L' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE L  31 " --> pdb=" O   LEU L  57 " (cutoff:3.500A)
      removed outlier: 7.579A  pdb=" N   GLU L  59 " --> pdb=" O   ILE L  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA L  33 " --> pdb=" O   GLU L  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR L  61 " --> pdb=" O   ALA L  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU L  35 " --> pdb=" O   THR L  61 " (cutoff:3.500A)
    Processing sheet with id= 35, first strand: chain 'L' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE L 106 " --> pdb=" O   MET L 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 35
    Processing sheet with id= 36, first strand: chain 'L' and resid 129 through 130
      removed outlier: 6.766A  pdb=" N   LEU L 147 " --> pdb=" O   VAL L 173 " (cutoff:3.500A)
    Processing sheet with id= 37, first strand: chain 'M' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE M  31 " --> pdb=" O   LEU M  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU M  59 " --> pdb=" O   ILE M  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA M  33 " --> pdb=" O   GLU M  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR M  61 " --> pdb=" O   ALA M  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU M  35 " --> pdb=" O   THR M  61 " (cutoff:3.500A)
    Processing sheet with id= 38, first strand: chain 'M' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE M 106 " --> pdb=" O   MET M 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 38
    Processing sheet with id= 39, first strand: chain 'M' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU M 147 " --> pdb=" O   VAL M 173 " (cutoff:3.500A)
    Processing sheet with id= 40, first strand: chain 'N' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE N  31 " --> pdb=" O   LEU N  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU N  59 " --> pdb=" O   ILE N  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA N  33 " --> pdb=" O   GLU N  59 " (cutoff:3.500A)
      removed outlier: 6.542A  pdb=" N   THR N  61 " --> pdb=" O   ALA N  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU N  35 " --> pdb=" O   THR N  61 " (cutoff:3.500A)
    Processing sheet with id= 41, first strand: chain 'N' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE N 106 " --> pdb=" O   MET N 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 41
    Processing sheet with id= 42, first strand: chain 'N' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU N 147 " --> pdb=" O   VAL N 173 " (cutoff:3.500A)
    Processing sheet with id= 43, first strand: chain 'O' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE O  31 " --> pdb=" O   LEU O  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU O  59 " --> pdb=" O   ILE O  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA O  33 " --> pdb=" O   GLU O  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR O  61 " --> pdb=" O   ALA O  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU O  35 " --> pdb=" O   THR O  61 " (cutoff:3.500A)
    Processing sheet with id= 44, first strand: chain 'O' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE O 106 " --> pdb=" O   MET O 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 44
    Processing sheet with id= 45, first strand: chain 'O' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU O 147 " --> pdb=" O   VAL O 173 " (cutoff:3.500A)
    Processing sheet with id= 46, first strand: chain 'P' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE P  31 " --> pdb=" O   LEU P  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU P  59 " --> pdb=" O   ILE P  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA P  33 " --> pdb=" O   GLU P  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR P  61 " --> pdb=" O   ALA P  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU P  35 " --> pdb=" O   THR P  61 " (cutoff:3.500A)
    Processing sheet with id= 47, first strand: chain 'P' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE P 106 " --> pdb=" O   MET P 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 47
    Processing sheet with id= 48, first strand: chain 'P' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU P 147 " --> pdb=" O   VAL P 173 " (cutoff:3.500A)
    Processing sheet with id= 49, first strand: chain 'Q' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE Q  31 " --> pdb=" O   LEU Q  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU Q  59 " --> pdb=" O   ILE Q  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA Q  33 " --> pdb=" O   GLU Q  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR Q  61 " --> pdb=" O   ALA Q  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU Q  35 " --> pdb=" O   THR Q  61 " (cutoff:3.500A)
    Processing sheet with id= 50, first strand: chain 'Q' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE Q 106 " --> pdb=" O   MET Q 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 50
    Processing sheet with id= 51, first strand: chain 'Q' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU Q 147 " --> pdb=" O   VAL Q 173 " (cutoff:3.500A)
    Processing sheet with id= 52, first strand: chain 'R' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE R  31 " --> pdb=" O   LEU R  57 " (cutoff:3.500A)
      removed outlier: 7.579A  pdb=" N   GLU R  59 " --> pdb=" O   ILE R  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA R  33 " --> pdb=" O   GLU R  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR R  61 " --> pdb=" O   ALA R  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU R  35 " --> pdb=" O   THR R  61 " (cutoff:3.500A)
    Processing sheet with id= 53, first strand: chain 'R' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE R 106 " --> pdb=" O   MET R 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 53
    Processing sheet with id= 54, first strand: chain 'R' and resid 129 through 130
      removed outlier: 6.766A  pdb=" N   LEU R 147 " --> pdb=" O   VAL R 173 " (cutoff:3.500A)
    Processing sheet with id= 55, first strand: chain 'S' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE S  31 " --> pdb=" O   LEU S  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU S  59 " --> pdb=" O   ILE S  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA S  33 " --> pdb=" O   GLU S  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR S  61 " --> pdb=" O   ALA S  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU S  35 " --> pdb=" O   THR S  61 " (cutoff:3.500A)
    Processing sheet with id= 56, first strand: chain 'S' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE S 106 " --> pdb=" O   MET S 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 56
    Processing sheet with id= 57, first strand: chain 'S' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU S 147 " --> pdb=" O   VAL S 173 " (cutoff:3.500A)
    Processing sheet with id= 58, first strand: chain 'T' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE T  31 " --> pdb=" O   LEU T  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU T  59 " --> pdb=" O   ILE T  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA T  33 " --> pdb=" O   GLU T  59 " (cutoff:3.500A)
      removed outlier: 6.542A  pdb=" N   THR T  61 " --> pdb=" O   ALA T  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU T  35 " --> pdb=" O   THR T  61 " (cutoff:3.500A)
    Processing sheet with id= 59, first strand: chain 'T' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE T 106 " --> pdb=" O   MET T 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 59
    Processing sheet with id= 60, first strand: chain 'T' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU T 147 " --> pdb=" O   VAL T 173 " (cutoff:3.500A)
    Processing sheet with id= 61, first strand: chain 'U' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE U  31 " --> pdb=" O   LEU U  57 " (cutoff:3.500A)
      removed outlier: 7.579A  pdb=" N   GLU U  59 " --> pdb=" O   ILE U  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA U  33 " --> pdb=" O   GLU U  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR U  61 " --> pdb=" O   ALA U  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU U  35 " --> pdb=" O   THR U  61 " (cutoff:3.500A)
    Processing sheet with id= 62, first strand: chain 'U' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE U 106 " --> pdb=" O   MET U 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 62
    Processing sheet with id= 63, first strand: chain 'U' and resid 129 through 130
      removed outlier: 6.766A  pdb=" N   LEU U 147 " --> pdb=" O   VAL U 173 " (cutoff:3.500A)
    Processing sheet with id= 64, first strand: chain 'V' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE V  31 " --> pdb=" O   LEU V  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU V  59 " --> pdb=" O   ILE V  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA V  33 " --> pdb=" O   GLU V  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR V  61 " --> pdb=" O   ALA V  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU V  35 " --> pdb=" O   THR V  61 " (cutoff:3.500A)
    Processing sheet with id= 65, first strand: chain 'V' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE V 106 " --> pdb=" O   MET V 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 65
    Processing sheet with id= 66, first strand: chain 'V' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU V 147 " --> pdb=" O   VAL V 173 " (cutoff:3.500A)
    Processing sheet with id= 67, first strand: chain 'W' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE W  31 " --> pdb=" O   LEU W  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU W  59 " --> pdb=" O   ILE W  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA W  33 " --> pdb=" O   GLU W  59 " (cutoff:3.500A)
      removed outlier: 6.542A  pdb=" N   THR W  61 " --> pdb=" O   ALA W  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU W  35 " --> pdb=" O   THR W  61 " (cutoff:3.500A)
    Processing sheet with id= 68, first strand: chain 'W' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE W 106 " --> pdb=" O   MET W 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 68
    Processing sheet with id= 69, first strand: chain 'W' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU W 147 " --> pdb=" O   VAL W 173 " (cutoff:3.500A)
    Processing sheet with id= 70, first strand: chain 'X' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE X  31 " --> pdb=" O   LEU X  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU X  59 " --> pdb=" O   ILE X  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA X  33 " --> pdb=" O   GLU X  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR X  61 " --> pdb=" O   ALA X  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU X  35 " --> pdb=" O   THR X  61 " (cutoff:3.500A)
    Processing sheet with id= 71, first strand: chain 'X' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE X 106 " --> pdb=" O   MET X 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 71
    Processing sheet with id= 72, first strand: chain 'X' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU X 147 " --> pdb=" O   VAL X 173 " (cutoff:3.500A)
    Processing sheet with id= 73, first strand: chain 'Y' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE Y  31 " --> pdb=" O   LEU Y  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU Y  59 " --> pdb=" O   ILE Y  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA Y  33 " --> pdb=" O   GLU Y  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR Y  61 " --> pdb=" O   ALA Y  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU Y  35 " --> pdb=" O   THR Y  61 " (cutoff:3.500A)
    Processing sheet with id= 74, first strand: chain 'Y' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE Y 106 " --> pdb=" O   MET Y 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 74
    Processing sheet with id= 75, first strand: chain 'Y' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU Y 147 " --> pdb=" O   VAL Y 173 " (cutoff:3.500A)
    Processing sheet with id= 76, first strand: chain 'Z' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE Z  31 " --> pdb=" O   LEU Z  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU Z  59 " --> pdb=" O   ILE Z  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA Z  33 " --> pdb=" O   GLU Z  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR Z  61 " --> pdb=" O   ALA Z  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU Z  35 " --> pdb=" O   THR Z  61 " (cutoff:3.500A)
    Processing sheet with id= 77, first strand: chain 'Z' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE Z 106 " --> pdb=" O   MET Z 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 77
    Processing sheet with id= 78, first strand: chain 'Z' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU Z 147 " --> pdb=" O   VAL Z 173 " (cutoff:3.500A)
    Processing sheet with id= 79, first strand: chain '0' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE 0  31 " --> pdb=" O   LEU 0  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU 0  59 " --> pdb=" O   ILE 0  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA 0  33 " --> pdb=" O   GLU 0  59 " (cutoff:3.500A)
      removed outlier: 6.542A  pdb=" N   THR 0  61 " --> pdb=" O   ALA 0  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU 0  35 " --> pdb=" O   THR 0  61 " (cutoff:3.500A)
    Processing sheet with id= 80, first strand: chain '0' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE 0 106 " --> pdb=" O   MET 0 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 80
    Processing sheet with id= 81, first strand: chain '0' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU 0 147 " --> pdb=" O   VAL 0 173 " (cutoff:3.500A)
    Processing sheet with id= 82, first strand: chain '1' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE 1  31 " --> pdb=" O   LEU 1  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU 1  59 " --> pdb=" O   ILE 1  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA 1  33 " --> pdb=" O   GLU 1  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR 1  61 " --> pdb=" O   ALA 1  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU 1  35 " --> pdb=" O   THR 1  61 " (cutoff:3.500A)
    Processing sheet with id= 83, first strand: chain '1' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE 1 106 " --> pdb=" O   MET 1 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 83
    Processing sheet with id= 84, first strand: chain '1' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU 1 147 " --> pdb=" O   VAL 1 173 " (cutoff:3.500A)
    Processing sheet with id= 85, first strand: chain '2' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE 2  31 " --> pdb=" O   LEU 2  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU 2  59 " --> pdb=" O   ILE 2  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA 2  33 " --> pdb=" O   GLU 2  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR 2  61 " --> pdb=" O   ALA 2  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU 2  35 " --> pdb=" O   THR 2  61 " (cutoff:3.500A)
    Processing sheet with id= 86, first strand: chain '2' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE 2 106 " --> pdb=" O   MET 2 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 86
    Processing sheet with id= 87, first strand: chain '2' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU 2 147 " --> pdb=" O   VAL 2 173 " (cutoff:3.500A)
    Processing sheet with id= 88, first strand: chain '3' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE 3  31 " --> pdb=" O   LEU 3  57 " (cutoff:3.500A)
      removed outlier: 7.579A  pdb=" N   GLU 3  59 " --> pdb=" O   ILE 3  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA 3  33 " --> pdb=" O   GLU 3  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR 3  61 " --> pdb=" O   ALA 3  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU 3  35 " --> pdb=" O   THR 3  61 " (cutoff:3.500A)
    Processing sheet with id= 89, first strand: chain '3' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE 3 106 " --> pdb=" O   MET 3 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 89
    Processing sheet with id= 90, first strand: chain '3' and resid 129 through 130
      removed outlier: 6.766A  pdb=" N   LEU 3 147 " --> pdb=" O   VAL 3 173 " (cutoff:3.500A)
    Processing sheet with id= 91, first strand: chain '4' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE 4  31 " --> pdb=" O   LEU 4  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU 4  59 " --> pdb=" O   ILE 4  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA 4  33 " --> pdb=" O   GLU 4  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR 4  61 " --> pdb=" O   ALA 4  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU 4  35 " --> pdb=" O   THR 4  61 " (cutoff:3.500A)
    Processing sheet with id= 92, first strand: chain '4' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE 4 106 " --> pdb=" O   MET 4 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 92
    Processing sheet with id= 93, first strand: chain '4' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU 4 147 " --> pdb=" O   VAL 4 173 " (cutoff:3.500A)
    Processing sheet with id= 94, first strand: chain '5' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE 5  31 " --> pdb=" O   LEU 5  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU 5  59 " --> pdb=" O   ILE 5  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA 5  33 " --> pdb=" O   GLU 5  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR 5  61 " --> pdb=" O   ALA 5  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU 5  35 " --> pdb=" O   THR 5  61 " (cutoff:3.500A)
    Processing sheet with id= 95, first strand: chain '5' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE 5 106 " --> pdb=" O   MET 5 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 95
    Processing sheet with id= 96, first strand: chain '5' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU 5 147 " --> pdb=" O   VAL 5 173 " (cutoff:3.500A)
    Processing sheet with id= 97, first strand: chain '6' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE 6  31 " --> pdb=" O   LEU 6  57 " (cutoff:3.500A)
      removed outlier: 7.579A  pdb=" N   GLU 6  59 " --> pdb=" O   ILE 6  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA 6  33 " --> pdb=" O   GLU 6  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR 6  61 " --> pdb=" O   ALA 6  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU 6  35 " --> pdb=" O   THR 6  61 " (cutoff:3.500A)
    Processing sheet with id= 98, first strand: chain '6' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE 6 106 " --> pdb=" O   MET 6 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id= 98
    Processing sheet with id= 99, first strand: chain '6' and resid 129 through 130
      removed outlier: 6.766A  pdb=" N   LEU 6 147 " --> pdb=" O   VAL 6 173 " (cutoff:3.500A)
    Processing sheet with id=100, first strand: chain '7' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE 7  31 " --> pdb=" O   LEU 7  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU 7  59 " --> pdb=" O   ILE 7  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA 7  33 " --> pdb=" O   GLU 7  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR 7  61 " --> pdb=" O   ALA 7  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU 7  35 " --> pdb=" O   THR 7  61 " (cutoff:3.500A)
    Processing sheet with id=101, first strand: chain '7' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE 7 106 " --> pdb=" O   MET 7 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=101
    Processing sheet with id=102, first strand: chain '7' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU 7 147 " --> pdb=" O   VAL 7 173 " (cutoff:3.500A)
    Processing sheet with id=103, first strand: chain '8' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE 8  31 " --> pdb=" O   LEU 8  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU 8  59 " --> pdb=" O   ILE 8  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA 8  33 " --> pdb=" O   GLU 8  59 " (cutoff:3.500A)
      removed outlier: 6.542A  pdb=" N   THR 8  61 " --> pdb=" O   ALA 8  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU 8  35 " --> pdb=" O   THR 8  61 " (cutoff:3.500A)
    Processing sheet with id=104, first strand: chain '8' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE 8 106 " --> pdb=" O   MET 8 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=104
    Processing sheet with id=105, first strand: chain '8' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU 8 147 " --> pdb=" O   VAL 8 173 " (cutoff:3.500A)
    Processing sheet with id=106, first strand: chain '9' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE 9  31 " --> pdb=" O   LEU 9  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU 9  59 " --> pdb=" O   ILE 9  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA 9  33 " --> pdb=" O   GLU 9  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR 9  61 " --> pdb=" O   ALA 9  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU 9  35 " --> pdb=" O   THR 9  61 " (cutoff:3.500A)
    Processing sheet with id=107, first strand: chain '9' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE 9 106 " --> pdb=" O   MET 9 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=107
    Processing sheet with id=108, first strand: chain '9' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU 9 147 " --> pdb=" O   VAL 9 173 " (cutoff:3.500A)
    Processing sheet with id=109, first strand: chain 'a' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE a  31 " --> pdb=" O   LEU a  57 " (cutoff:3.500A)
      removed outlier: 7.579A  pdb=" N   GLU a  59 " --> pdb=" O   ILE a  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA a  33 " --> pdb=" O   GLU a  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR a  61 " --> pdb=" O   ALA a  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU a  35 " --> pdb=" O   THR a  61 " (cutoff:3.500A)
    Processing sheet with id=110, first strand: chain 'a' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE a 106 " --> pdb=" O   MET a 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=110
    Processing sheet with id=111, first strand: chain 'a' and resid 129 through 130
      removed outlier: 6.766A  pdb=" N   LEU a 147 " --> pdb=" O   VAL a 173 " (cutoff:3.500A)
    Processing sheet with id=112, first strand: chain 'b' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE b  31 " --> pdb=" O   LEU b  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU b  59 " --> pdb=" O   ILE b  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA b  33 " --> pdb=" O   GLU b  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR b  61 " --> pdb=" O   ALA b  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU b  35 " --> pdb=" O   THR b  61 " (cutoff:3.500A)
    Processing sheet with id=113, first strand: chain 'b' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE b 106 " --> pdb=" O   MET b 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=113
    Processing sheet with id=114, first strand: chain 'b' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU b 147 " --> pdb=" O   VAL b 173 " (cutoff:3.500A)
    Processing sheet with id=115, first strand: chain 'c' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE c  31 " --> pdb=" O   LEU c  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU c  59 " --> pdb=" O   ILE c  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA c  33 " --> pdb=" O   GLU c  59 " (cutoff:3.500A)
      removed outlier: 6.542A  pdb=" N   THR c  61 " --> pdb=" O   ALA c  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU c  35 " --> pdb=" O   THR c  61 " (cutoff:3.500A)
    Processing sheet with id=116, first strand: chain 'c' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE c 106 " --> pdb=" O   MET c 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=116
    Processing sheet with id=117, first strand: chain 'c' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU c 147 " --> pdb=" O   VAL c 173 " (cutoff:3.500A)
    Processing sheet with id=118, first strand: chain 'd' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE d  31 " --> pdb=" O   LEU d  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU d  59 " --> pdb=" O   ILE d  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA d  33 " --> pdb=" O   GLU d  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR d  61 " --> pdb=" O   ALA d  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU d  35 " --> pdb=" O   THR d  61 " (cutoff:3.500A)
    Processing sheet with id=119, first strand: chain 'd' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE d 106 " --> pdb=" O   MET d 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=119
    Processing sheet with id=120, first strand: chain 'd' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU d 147 " --> pdb=" O   VAL d 173 " (cutoff:3.500A)
    Processing sheet with id=121, first strand: chain 'e' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE e  31 " --> pdb=" O   LEU e  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU e  59 " --> pdb=" O   ILE e  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA e  33 " --> pdb=" O   GLU e  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR e  61 " --> pdb=" O   ALA e  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU e  35 " --> pdb=" O   THR e  61 " (cutoff:3.500A)
    Processing sheet with id=122, first strand: chain 'e' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE e 106 " --> pdb=" O   MET e 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=122
    Processing sheet with id=123, first strand: chain 'e' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU e 147 " --> pdb=" O   VAL e 173 " (cutoff:3.500A)
    Processing sheet with id=124, first strand: chain 'f' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE f  31 " --> pdb=" O   LEU f  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU f  59 " --> pdb=" O   ILE f  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA f  33 " --> pdb=" O   GLU f  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR f  61 " --> pdb=" O   ALA f  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU f  35 " --> pdb=" O   THR f  61 " (cutoff:3.500A)
    Processing sheet with id=125, first strand: chain 'f' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE f 106 " --> pdb=" O   MET f 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=125
    Processing sheet with id=126, first strand: chain 'f' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU f 147 " --> pdb=" O   VAL f 173 " (cutoff:3.500A)
    Processing sheet with id=127, first strand: chain 'g' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE g  31 " --> pdb=" O   LEU g  57 " (cutoff:3.500A)
      removed outlier: 7.579A  pdb=" N   GLU g  59 " --> pdb=" O   ILE g  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA g  33 " --> pdb=" O   GLU g  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR g  61 " --> pdb=" O   ALA g  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU g  35 " --> pdb=" O   THR g  61 " (cutoff:3.500A)
    Processing sheet with id=128, first strand: chain 'g' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE g 106 " --> pdb=" O   MET g 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=128
    Processing sheet with id=129, first strand: chain 'g' and resid 129 through 130
      removed outlier: 6.766A  pdb=" N   LEU g 147 " --> pdb=" O   VAL g 173 " (cutoff:3.500A)
    Processing sheet with id=130, first strand: chain 'h' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE h  31 " --> pdb=" O   LEU h  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU h  59 " --> pdb=" O   ILE h  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA h  33 " --> pdb=" O   GLU h  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR h  61 " --> pdb=" O   ALA h  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU h  35 " --> pdb=" O   THR h  61 " (cutoff:3.500A)
    Processing sheet with id=131, first strand: chain 'h' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE h 106 " --> pdb=" O   MET h 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=131
    Processing sheet with id=132, first strand: chain 'h' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU h 147 " --> pdb=" O   VAL h 173 " (cutoff:3.500A)
    Processing sheet with id=133, first strand: chain 'i' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE i  31 " --> pdb=" O   LEU i  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU i  59 " --> pdb=" O   ILE i  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA i  33 " --> pdb=" O   GLU i  59 " (cutoff:3.500A)
      removed outlier: 6.542A  pdb=" N   THR i  61 " --> pdb=" O   ALA i  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU i  35 " --> pdb=" O   THR i  61 " (cutoff:3.500A)
    Processing sheet with id=134, first strand: chain 'i' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE i 106 " --> pdb=" O   MET i 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=134
    Processing sheet with id=135, first strand: chain 'i' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU i 147 " --> pdb=" O   VAL i 173 " (cutoff:3.500A)
    Processing sheet with id=136, first strand: chain 'j' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE j  31 " --> pdb=" O   LEU j  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU j  59 " --> pdb=" O   ILE j  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA j  33 " --> pdb=" O   GLU j  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR j  61 " --> pdb=" O   ALA j  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU j  35 " --> pdb=" O   THR j  61 " (cutoff:3.500A)
    Processing sheet with id=137, first strand: chain 'j' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE j 106 " --> pdb=" O   MET j 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=137
    Processing sheet with id=138, first strand: chain 'j' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU j 147 " --> pdb=" O   VAL j 173 " (cutoff:3.500A)
    Processing sheet with id=139, first strand: chain 'k' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE k  31 " --> pdb=" O   LEU k  57 " (cutoff:3.500A)
      removed outlier: 7.579A  pdb=" N   GLU k  59 " --> pdb=" O   ILE k  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA k  33 " --> pdb=" O   GLU k  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR k  61 " --> pdb=" O   ALA k  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU k  35 " --> pdb=" O   THR k  61 " (cutoff:3.500A)
    Processing sheet with id=140, first strand: chain 'k' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE k 106 " --> pdb=" O   MET k 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=140
    Processing sheet with id=141, first strand: chain 'k' and resid 129 through 130
      removed outlier: 6.766A  pdb=" N   LEU k 147 " --> pdb=" O   VAL k 173 " (cutoff:3.500A)
    Processing sheet with id=142, first strand: chain 'l' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE l  31 " --> pdb=" O   LEU l  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU l  59 " --> pdb=" O   ILE l  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA l  33 " --> pdb=" O   GLU l  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR l  61 " --> pdb=" O   ALA l  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU l  35 " --> pdb=" O   THR l  61 " (cutoff:3.500A)
    Processing sheet with id=143, first strand: chain 'l' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE l 106 " --> pdb=" O   MET l 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=143
    Processing sheet with id=144, first strand: chain 'l' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU l 147 " --> pdb=" O   VAL l 173 " (cutoff:3.500A)
    Processing sheet with id=145, first strand: chain 'm' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE m  31 " --> pdb=" O   LEU m  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU m  59 " --> pdb=" O   ILE m  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA m  33 " --> pdb=" O   GLU m  59 " (cutoff:3.500A)
      removed outlier: 6.542A  pdb=" N   THR m  61 " --> pdb=" O   ALA m  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU m  35 " --> pdb=" O   THR m  61 " (cutoff:3.500A)
    Processing sheet with id=146, first strand: chain 'm' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE m 106 " --> pdb=" O   MET m 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=146
    Processing sheet with id=147, first strand: chain 'm' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU m 147 " --> pdb=" O   VAL m 173 " (cutoff:3.500A)
    Processing sheet with id=148, first strand: chain 'n' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE n  31 " --> pdb=" O   LEU n  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU n  59 " --> pdb=" O   ILE n  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA n  33 " --> pdb=" O   GLU n  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR n  61 " --> pdb=" O   ALA n  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU n  35 " --> pdb=" O   THR n  61 " (cutoff:3.500A)
    Processing sheet with id=149, first strand: chain 'n' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE n 106 " --> pdb=" O   MET n 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=149
    Processing sheet with id=150, first strand: chain 'n' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU n 147 " --> pdb=" O   VAL n 173 " (cutoff:3.500A)
    Processing sheet with id=151, first strand: chain 'o' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE o  31 " --> pdb=" O   LEU o  57 " (cutoff:3.500A)
      removed outlier: 7.579A  pdb=" N   GLU o  59 " --> pdb=" O   ILE o  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA o  33 " --> pdb=" O   GLU o  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR o  61 " --> pdb=" O   ALA o  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU o  35 " --> pdb=" O   THR o  61 " (cutoff:3.500A)
    Processing sheet with id=152, first strand: chain 'o' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE o 106 " --> pdb=" O   MET o 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=152
    Processing sheet with id=153, first strand: chain 'o' and resid 129 through 130
      removed outlier: 6.766A  pdb=" N   LEU o 147 " --> pdb=" O   VAL o 173 " (cutoff:3.500A)
    Processing sheet with id=154, first strand: chain 'p' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE p  31 " --> pdb=" O   LEU p  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU p  59 " --> pdb=" O   ILE p  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA p  33 " --> pdb=" O   GLU p  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR p  61 " --> pdb=" O   ALA p  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU p  35 " --> pdb=" O   THR p  61 " (cutoff:3.500A)
    Processing sheet with id=155, first strand: chain 'p' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE p 106 " --> pdb=" O   MET p 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=155
    Processing sheet with id=156, first strand: chain 'p' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU p 147 " --> pdb=" O   VAL p 173 " (cutoff:3.500A)
    Processing sheet with id=157, first strand: chain 'q' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE q  31 " --> pdb=" O   LEU q  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU q  59 " --> pdb=" O   ILE q  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA q  33 " --> pdb=" O   GLU q  59 " (cutoff:3.500A)
      removed outlier: 6.542A  pdb=" N   THR q  61 " --> pdb=" O   ALA q  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU q  35 " --> pdb=" O   THR q  61 " (cutoff:3.500A)
    Processing sheet with id=158, first strand: chain 'q' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE q 106 " --> pdb=" O   MET q 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=158
    Processing sheet with id=159, first strand: chain 'q' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU q 147 " --> pdb=" O   VAL q 173 " (cutoff:3.500A)
    Processing sheet with id=160, first strand: chain 'r' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE r  31 " --> pdb=" O   LEU r  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU r  59 " --> pdb=" O   ILE r  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA r  33 " --> pdb=" O   GLU r  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR r  61 " --> pdb=" O   ALA r  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU r  35 " --> pdb=" O   THR r  61 " (cutoff:3.500A)
    Processing sheet with id=161, first strand: chain 'r' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE r 106 " --> pdb=" O   MET r 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=161
    Processing sheet with id=162, first strand: chain 'r' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU r 147 " --> pdb=" O   VAL r 173 " (cutoff:3.500A)
    Processing sheet with id=163, first strand: chain 's' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE s  31 " --> pdb=" O   LEU s  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU s  59 " --> pdb=" O   ILE s  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA s  33 " --> pdb=" O   GLU s  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR s  61 " --> pdb=" O   ALA s  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU s  35 " --> pdb=" O   THR s  61 " (cutoff:3.500A)
    Processing sheet with id=164, first strand: chain 's' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE s 106 " --> pdb=" O   MET s 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=164
    Processing sheet with id=165, first strand: chain 's' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU s 147 " --> pdb=" O   VAL s 173 " (cutoff:3.500A)
    Processing sheet with id=166, first strand: chain 't' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE t  31 " --> pdb=" O   LEU t  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU t  59 " --> pdb=" O   ILE t  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA t  33 " --> pdb=" O   GLU t  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR t  61 " --> pdb=" O   ALA t  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU t  35 " --> pdb=" O   THR t  61 " (cutoff:3.500A)
    Processing sheet with id=167, first strand: chain 't' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE t 106 " --> pdb=" O   MET t 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=167
    Processing sheet with id=168, first strand: chain 't' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU t 147 " --> pdb=" O   VAL t 173 " (cutoff:3.500A)
    Processing sheet with id=169, first strand: chain 'u' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE u  31 " --> pdb=" O   LEU u  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU u  59 " --> pdb=" O   ILE u  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA u  33 " --> pdb=" O   GLU u  59 " (cutoff:3.500A)
      removed outlier: 6.542A  pdb=" N   THR u  61 " --> pdb=" O   ALA u  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU u  35 " --> pdb=" O   THR u  61 " (cutoff:3.500A)
    Processing sheet with id=170, first strand: chain 'u' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE u 106 " --> pdb=" O   MET u 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=170
    Processing sheet with id=171, first strand: chain 'u' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU u 147 " --> pdb=" O   VAL u 173 " (cutoff:3.500A)
    Processing sheet with id=172, first strand: chain 'v' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE v  31 " --> pdb=" O   LEU v  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU v  59 " --> pdb=" O   ILE v  31 " (cutoff:3.500A)
      removed outlier: 5.833A  pdb=" N   ALA v  33 " --> pdb=" O   GLU v  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR v  61 " --> pdb=" O   ALA v  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU v  35 " --> pdb=" O   THR v  61 " (cutoff:3.500A)
    Processing sheet with id=173, first strand: chain 'v' and resid 105 through 107
      removed outlier: 6.588A  pdb=" N   ILE v 106 " --> pdb=" O   MET v 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=173
    Processing sheet with id=174, first strand: chain 'v' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU v 147 " --> pdb=" O   VAL v 173 " (cutoff:3.500A)
    Processing sheet with id=175, first strand: chain 'w' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE w  31 " --> pdb=" O   LEU w  57 " (cutoff:3.500A)
      removed outlier: 7.580A  pdb=" N   GLU w  59 " --> pdb=" O   ILE w  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA w  33 " --> pdb=" O   GLU w  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR w  61 " --> pdb=" O   ALA w  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU w  35 " --> pdb=" O   THR w  61 " (cutoff:3.500A)
    Processing sheet with id=176, first strand: chain 'w' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE w 106 " --> pdb=" O   MET w 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=176
    Processing sheet with id=177, first strand: chain 'w' and resid 129 through 130
      removed outlier: 6.767A  pdb=" N   LEU w 147 " --> pdb=" O   VAL w 173 " (cutoff:3.500A)
    Processing sheet with id=178, first strand: chain 'x' and resid 83 through 87
      removed outlier: 6.745A  pdb=" N   ILE x  31 " --> pdb=" O   LEU x  57 " (cutoff:3.500A)
      removed outlier: 7.579A  pdb=" N   GLU x  59 " --> pdb=" O   ILE x  31 " (cutoff:3.500A)
      removed outlier: 5.834A  pdb=" N   ALA x  33 " --> pdb=" O   GLU x  59 " (cutoff:3.500A)
      removed outlier: 6.541A  pdb=" N   THR x  61 " --> pdb=" O   ALA x  33 " (cutoff:3.500A)
      removed outlier: 7.289A  pdb=" N   LEU x  35 " --> pdb=" O   THR x  61 " (cutoff:3.500A)
    Processing sheet with id=179, first strand: chain 'x' and resid 105 through 107
      removed outlier: 6.589A  pdb=" N   ILE x 106 " --> pdb=" O   MET x 127 " (cutoff:3.500A)
  No H-bonds generated for sheet with id=179
    Processing sheet with id=180, first strand: chain 'x' and resid 129 through 130
      removed outlier: 6.766A  pdb=" N   LEU x 147 " --> pdb=" O   VAL x 173 " (cutoff:3.500A)

    4200 hydrogen bonds defined for protein.
    12600 hydrogen bond angles defined for protein.
    Restraints generated for nucleic acids:
      0 hydrogen bonds
      0 hydrogen bond angles
      0 basepair planarities
      0 basepair parallelities
      0 stacking parallelities
  Total time for adding SS restraints: 53.38

  Time building geometry restraints manager: 28.60 seconds

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

  Histogram of bond lengths:
        1.23 -     1.34: 28680
        1.34 -     1.46: 17012
        1.46 -     1.58: 46168
        1.58 -     1.69: 0
        1.69 -     1.81: 960
  Bond restraints: 92820
  Sorted by residual:
  bond pdb=" CB  PRO k 128 "
       pdb=" CG  PRO k 128 "
    ideal  model  delta    sigma   weight residual
    1.492  1.530 -0.038 5.00e-02 4.00e+02 5.90e-01
  bond pdb=" CB  PRO 3 128 "
       pdb=" CG  PRO 3 128 "
    ideal  model  delta    sigma   weight residual
    1.492  1.530 -0.038 5.00e-02 4.00e+02 5.90e-01
  bond pdb=" CB  PRO E 128 "
       pdb=" CG  PRO E 128 "
    ideal  model  delta    sigma   weight residual
    1.492  1.530 -0.038 5.00e-02 4.00e+02 5.90e-01
  bond pdb=" CB  PRO a 128 "
       pdb=" CG  PRO a 128 "
    ideal  model  delta    sigma   weight residual
    1.492  1.530 -0.038 5.00e-02 4.00e+02 5.90e-01
  bond pdb=" CB  PRO g 128 "
       pdb=" CG  PRO g 128 "
    ideal  model  delta    sigma   weight residual
    1.492  1.530 -0.038 5.00e-02 4.00e+02 5.90e-01
  ... (remaining 92815 not shown)

  Histogram of bond angle deviations from ideal:
      100.78 -   107.40: 3480
      107.40 -   114.03: 54582
      114.03 -   120.66: 36548
      120.66 -   127.29: 29710
      127.29 -   133.91: 840
  Bond angle restraints: 125160
  Sorted by residual:
  angle pdb=" N   LEU m 111 "
        pdb=" CA  LEU m 111 "
        pdb=" C   LEU m 111 "
      ideal   model   delta    sigma   weight residual
     110.44  105.28    5.16 1.20e+00 6.94e-01 1.85e+01
  angle pdb=" N   LEU 8 111 "
        pdb=" CA  LEU 8 111 "
        pdb=" C   LEU 8 111 "
      ideal   model   delta    sigma   weight residual
     110.44  105.28    5.16 1.20e+00 6.94e-01 1.85e+01
  angle pdb=" N   LEU q 111 "
        pdb=" CA  LEU q 111 "
        pdb=" C   LEU q 111 "
      ideal   model   delta    sigma   weight residual
     110.44  105.28    5.16 1.20e+00 6.94e-01 1.85e+01
  angle pdb=" N   LEU i 111 "
        pdb=" CA  LEU i 111 "
        pdb=" C   LEU i 111 "
      ideal   model   delta    sigma   weight residual
     110.44  105.28    5.16 1.20e+00 6.94e-01 1.85e+01
  angle pdb=" N   LEU u 111 "
        pdb=" CA  LEU u 111 "
        pdb=" C   LEU u 111 "
      ideal   model   delta    sigma   weight residual
     110.44  105.28    5.16 1.20e+00 6.94e-01 1.85e+01
  ... (remaining 125155 not shown)

  Histogram of dihedral angle deviations from ideal:
        0.00 -    17.87: 47612
       17.87 -    35.74: 6388
       35.74 -    53.61: 1920
       53.61 -    71.49: 240
       71.49 -    89.36: 120
  Dihedral angle restraints: 56280
    sinusoidal: 22380
      harmonic: 33900
  Sorted by residual:
  dihedral pdb=" CA  HIS U 110 "
           pdb=" C   HIS U 110 "
           pdb=" N   LEU U 111 "
           pdb=" CA  LEU U 111 "
      ideal   model   delta  harmonic     sigma   weight residual
     180.00  159.01   20.99     0      5.00e+00 4.00e-02 1.76e+01
  dihedral pdb=" CA  HIS 6 110 "
           pdb=" C   HIS 6 110 "
           pdb=" N   LEU 6 111 "
           pdb=" CA  LEU 6 111 "
      ideal   model   delta  harmonic     sigma   weight residual
     180.00  159.01   20.99     0      5.00e+00 4.00e-02 1.76e+01
  dihedral pdb=" CA  HIS F 110 "
           pdb=" C   HIS F 110 "
           pdb=" N   LEU F 111 "
           pdb=" CA  LEU F 111 "
      ideal   model   delta  harmonic     sigma   weight residual
     180.00  159.01   20.99     0      5.00e+00 4.00e-02 1.76e+01
  ... (remaining 56277 not shown)

  Histogram of chiral volume deviations from ideal:
       0.000 -    0.028: 9150
       0.028 -    0.057: 2919
       0.057 -    0.085: 1251
       0.085 -    0.114: 1121
       0.114 -    0.142: 259
  Chirality restraints: 14700
  Sorted by residual:
  chirality pdb=" CA  VAL S  64 "
            pdb=" N   VAL S  64 "
            pdb=" C   VAL S  64 "
            pdb=" CB  VAL S  64 "
    both_signs  ideal   model   delta    sigma   weight residual
      False      2.44    2.58   -0.14 2.00e-01 2.50e+01 5.07e-01
  chirality pdb=" CA  VAL t  64 "
            pdb=" N   VAL t  64 "
            pdb=" C   VAL t  64 "
            pdb=" CB  VAL t  64 "
    both_signs  ideal   model   delta    sigma   weight residual
      False      2.44    2.58   -0.14 2.00e-01 2.50e+01 5.07e-01
  chirality pdb=" CA  VAL M  64 "
            pdb=" N   VAL M  64 "
            pdb=" C   VAL M  64 "
            pdb=" CB  VAL M  64 "
    both_signs  ideal   model   delta    sigma   weight residual
      False      2.44    2.58   -0.14 2.00e-01 2.50e+01 5.07e-01
  ... (remaining 14697 not shown)

  Planarity restraints: 15720
  Sorted by residual:
                                 delta    sigma   weight rms_deltas residual
  plane pdb=" CB  PHE q 118 "    0.009 2.00e-02 2.50e+03   1.22e-02 2.62e+00
        pdb=" CG  PHE q 118 "   -0.028 2.00e-02 2.50e+03
        pdb=" CD1 PHE q 118 "    0.009 2.00e-02 2.50e+03
        pdb=" CD2 PHE q 118 "    0.009 2.00e-02 2.50e+03
        pdb=" CE1 PHE q 118 "    0.001 2.00e-02 2.50e+03
        pdb=" CE2 PHE q 118 "    0.000 2.00e-02 2.50e+03
        pdb=" CZ  PHE q 118 "   -0.000 2.00e-02 2.50e+03
                                 delta    sigma   weight rms_deltas residual
  plane pdb=" CB  PHE m 118 "   -0.009 2.00e-02 2.50e+03   1.22e-02 2.62e+00
        pdb=" CG  PHE m 118 "    0.028 2.00e-02 2.50e+03
        pdb=" CD1 PHE m 118 "   -0.009 2.00e-02 2.50e+03
        pdb=" CD2 PHE m 118 "   -0.009 2.00e-02 2.50e+03
        pdb=" CE1 PHE m 118 "   -0.001 2.00e-02 2.50e+03
        pdb=" CE2 PHE m 118 "   -0.000 2.00e-02 2.50e+03
        pdb=" CZ  PHE m 118 "    0.000 2.00e-02 2.50e+03
                                 delta    sigma   weight rms_deltas residual
  plane pdb=" CB  PHE u 118 "    0.009 2.00e-02 2.50e+03   1.22e-02 2.62e+00
        pdb=" CG  PHE u 118 "   -0.028 2.00e-02 2.50e+03
        pdb=" CD1 PHE u 118 "    0.009 2.00e-02 2.50e+03
        pdb=" CD2 PHE u 118 "    0.009 2.00e-02 2.50e+03
        pdb=" CE1 PHE u 118 "    0.001 2.00e-02 2.50e+03
        pdb=" CE2 PHE u 118 "    0.000 2.00e-02 2.50e+03
        pdb=" CZ  PHE u 118 "   -0.000 2.00e-02 2.50e+03
  ... (remaining 15717 not shown)

  Histogram of nonbonded interaction distances:
        2.28 -     2.80: 22920
        2.80 -     3.33: 83940
        3.33 -     3.85: 150055
        3.85 -     4.38: 172953
        4.38 -     4.90: 299726
  Nonbonded interactions: 729594
  Sorted by model distance:
  nonbonded pdb=" ND1 HIS m  56 "
            pdb=" O   GLY m  81 "
     model   vdw
     2.278 2.520
  nonbonded pdb=" ND1 HIS 8  56 "
            pdb=" O   GLY 8  81 "
     model   vdw
     2.278 2.520
  nonbonded pdb=" ND1 HIS u  56 "
            pdb=" O   GLY u  81 "
     model   vdw
     2.278 2.520
  nonbonded pdb=" ND1 HIS T  56 "
            pdb=" O   GLY T  81 "
     model   vdw
     2.278 2.520
  nonbonded pdb=" ND1 HIS B  56 "
            pdb=" O   GLY B  81 "
     model   vdw
     2.278 2.520
  ... (remaining 729589 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 '0'
  selection = chain '1'
  selection = chain '2'
  selection = chain '3'
  selection = chain '4'
  selection = chain '5'
  selection = chain '6'
  selection = chain '7'
  selection = chain '8'
  selection = chain '9'
  selection = chain 'A'
  selection = chain 'B'
  selection = chain 'C'
  selection = chain 'D'
  selection = chain 'E'
  selection = chain 'F'
  selection = chain 'G'
  selection = chain 'H'
  selection = chain 'I'
  selection = chain 'J'
  selection = chain 'K'
  selection = chain 'L'
  selection = chain 'M'
  selection = chain 'N'
  selection = chain 'O'
  selection = chain 'P'
  selection = chain 'Q'
  selection = chain 'R'
  selection = chain 'S'
  selection = chain 'T'
  selection = chain 'U'
  selection = chain 'V'
  selection = chain 'W'
  selection = chain 'X'
  selection = chain 'Y'
  selection = chain 'Z'
  selection = chain 'a'
  selection = chain 'b'
  selection = chain 'c'
  selection = chain 'd'
  selection = chain 'e'
  selection = chain 'f'
  selection = chain 'g'
  selection = chain 'h'
  selection = chain 'i'
  selection = chain 'j'
  selection = chain 'k'
  selection = chain 'l'
  selection = chain 'm'
  selection = chain 'n'
  selection = chain 'o'
  selection = chain 'p'
  selection = chain 'q'
  selection = chain 'r'
  selection = chain 's'
  selection = chain 't'
  selection = chain 'u'
  selection = chain 'v'
  selection = chain 'w'
  selection = chain 'x'
}

Set up NCS constraints
  No NCS constraints will be used in refinement.
Set refine NCS operators
Adjust number of macro_cycles
  Number of macro_cycles: 10
Reset NCS operators
Extract rigid body selections
Check and reset occupancies
  Occupancies: min=1.00 max=1.00 mean=1.00
Load rotamer database and sin/cos tables
Set ADP refinement strategy
  ADPs will be refined as 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:                  0.010
  Normalize map: mean=0, sd=1:             4.840
  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:             0.100
  Extract box with map and model:          18.590
  Check model and map are aligned:         1.010
  Set scattering table:                    0.620
  Process input model:                     198.990
  Find NCS groups from input model:        5.030
  Set up NCS constraints:                  1.290
  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:2.630
  Set ADP refinement strategy:             0.000
  Make a string to write initial .geo file:0.000
  Internal consistency checks:             0.000
  Total:  233.140
-------------------------------------------------------------------------------
Set refinement monitor
**********************
-------------------------------------------------------------------------------
Setup refinement engine
***********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.5930
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      :  0.002   0.038  92820  Z= 0.155
  Angle     :  0.563   9.482 125160  Z= 0.305
  Chirality :  0.044   0.142  14700
  Planarity :  0.004   0.033  15720
  Dihedral  : 17.850  89.357  34260
  Min Nonbonded Distance : 2.278

Molprobity Statistics.
  All-atom Clashscore : 9.40
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  2.01 %
    Favored  : 97.99 %
  Rotamer:
    Outliers :  0.41 %
    Allowed  : 31.30 %
    Favored  : 68.29 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 10.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -0.28 (0.08), residues: 11940
  helix:  0.80 (0.07), residues: 5940
  sheet: -1.22 (0.16), residues: 900
  loop : -1.14 (0.08), residues: 5100

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.003   0.001   TRP C 186 
 HIS   0.007   0.001   HIS g 110 
 PHE   0.028   0.001   PHE q 118 
 TYR   0.002   0.001   TYR 4 126 
 ARG   0.004   0.001   ARG h  96 

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

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

  23880 Ramachandran restraints generated.
    11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  23880 Ramachandran restraints generated.
    11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  2757 residues out of total 9840 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 40
    poor density    : 2717
  time to evaluate  : 8.781 
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: A  115 ILE cc_start: 0.5409 (mt) cc_final: 0.4921 (mt)
REVERT: B   23 GLU cc_start: 0.7052 (mt-10) cc_final: 0.6055 (tt0)
REVERT: B  120 LYS cc_start: 0.6787 (mttm) cc_final: 0.6461 (ttpp)
REVERT: C   58 ILE cc_start: 0.8010 (mt) cc_final: 0.7789 (mt)
REVERT: C  188 LYS cc_start: 0.8150 (ttmt) cc_final: 0.7699 (mmtm)
REVERT: C  202 LYS cc_start: 0.7248 (ttpp) cc_final: 0.6952 (mmtp)
REVERT: E  131 MET cc_start: 0.5327 (ttt) cc_final: 0.4985 (ttt)
REVERT: F   59 GLU cc_start: 0.6256 (tt0) cc_final: 0.5980 (tt0)
REVERT: F  104 GLU cc_start: 0.6206 (mt-10) cc_final: 0.5602 (mt-10)
REVERT: G  186 TRP cc_start: 0.6180 (m100) cc_final: 0.5684 (m100)
REVERT: H   74 LEU cc_start: 0.6047 (tt) cc_final: 0.5793 (mt)
REVERT: H   88 THR cc_start: 0.8368 (m) cc_final: 0.8053 (m)
REVERT: H   93 GLU cc_start: 0.7301 (pp20) cc_final: 0.7069 (mp0)
REVERT: L  149 LEU cc_start: 0.7948 (tp) cc_final: 0.7650 (tt)
REVERT: R   22 MET cc_start: 0.5859 (mmt) cc_final: 0.4265 (mmp)
REVERT: U  149 LEU cc_start: 0.7947 (tp) cc_final: 0.7649 (tt)
REVERT: Z  186 TRP cc_start: 0.6180 (m100) cc_final: 0.5681 (m100)
REVERT: 0   74 LEU cc_start: 0.6048 (tt) cc_final: 0.5794 (mt)
REVERT: 0   88 THR cc_start: 0.8368 (m) cc_final: 0.8052 (m)
REVERT: 0   93 GLU cc_start: 0.7301 (pp20) cc_final: 0.7069 (mp0)
REVERT: 3   59 GLU cc_start: 0.6256 (tt0) cc_final: 0.5980 (tt0)
REVERT: 3  104 GLU cc_start: 0.6206 (mt-10) cc_final: 0.5602 (mt-10)
REVERT: 6  149 LEU cc_start: 0.7947 (tp) cc_final: 0.7649 (tt)
REVERT: a   59 GLU cc_start: 0.6256 (tt0) cc_final: 0.5981 (tt0)
REVERT: a  104 GLU cc_start: 0.6206 (mt-10) cc_final: 0.5602 (mt-10)
REVERT: b  186 TRP cc_start: 0.6180 (m100) cc_final: 0.5681 (m100)
REVERT: c   74 LEU cc_start: 0.6047 (tt) cc_final: 0.5793 (mt)
REVERT: c   88 THR cc_start: 0.8368 (m) cc_final: 0.8053 (m)
REVERT: c   93 GLU cc_start: 0.7301 (pp20) cc_final: 0.7069 (mp0)
REVERT: e   58 ILE cc_start: 0.8011 (mt) cc_final: 0.7789 (mt)
REVERT: e  188 LYS cc_start: 0.8150 (ttmt) cc_final: 0.7699 (mmtm)
REVERT: e  202 LYS cc_start: 0.7248 (ttpp) cc_final: 0.6951 (mmtp)
REVERT: g  131 MET cc_start: 0.5327 (ttt) cc_final: 0.4985 (ttt)
REVERT: h  115 ILE cc_start: 0.5409 (mt) cc_final: 0.4921 (mt)
REVERT: i   23 GLU cc_start: 0.7052 (mt-10) cc_final: 0.6055 (tt0)
REVERT: i  120 LYS cc_start: 0.6787 (mttm) cc_final: 0.6461 (ttpp)
REVERT: k  131 MET cc_start: 0.5327 (ttt) cc_final: 0.4985 (ttt)
REVERT: l  115 ILE cc_start: 0.5409 (mt) cc_final: 0.4921 (mt)
REVERT: m   23 GLU cc_start: 0.7052 (mt-10) cc_final: 0.6055 (tt0)
REVERT: m  120 LYS cc_start: 0.6787 (mttm) cc_final: 0.6461 (ttpp)
REVERT: n   58 ILE cc_start: 0.8011 (mt) cc_final: 0.7789 (mt)
REVERT: n  188 LYS cc_start: 0.8150 (ttmt) cc_final: 0.7699 (mmtm)
REVERT: n  202 LYS cc_start: 0.7248 (ttpp) cc_final: 0.6952 (mmtp)
REVERT: o   22 MET cc_start: 0.5859 (mmt) cc_final: 0.4264 (mmp)
REVERT: x   22 MET cc_start: 0.5859 (mmt) cc_final: 0.4264 (mmp)
  outliers start: 40
  outliers final: 11
  residues processed: 2740
  average time/residue: 0.7618
  time to fit residues: 3668.7574
Evaluate side-chains
  1701 residues out of total 9840 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 11
    poor density    : 1690
  time to evaluate  : 8.767 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue  146 ILE
Chi-restraints excluded: chain B residue  146 ILE
Chi-restraints excluded: chain D residue  146 ILE
Chi-restraints excluded: chain E residue  146 ILE
Chi-restraints excluded: chain f residue  146 ILE
Chi-restraints excluded: chain g residue  146 ILE
Chi-restraints excluded: chain h residue  146 ILE
Chi-restraints excluded: chain i residue  146 ILE
Chi-restraints excluded: chain k residue  146 ILE
Chi-restraints excluded: chain l residue  146 ILE
Chi-restraints excluded: chain m residue  146 ILE
Rotamers are restrained with sigma=5.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 1200
   random chunks:
   chunk 1013 optimal weight:    9.9990
   chunk 909 optimal weight:    5.9990
   chunk 504 optimal weight:    0.9990
   chunk 310 optimal weight:    0.0980
   chunk 613 optimal weight:    1.9990
   chunk 485 optimal weight:    5.9990
   chunk 940 optimal weight:    8.9990
   chunk 363 optimal weight:    6.9990
   chunk 571 optimal weight:    0.9980
   chunk 700 optimal weight:    6.9990
   chunk 1089 optimal weight:    5.9990
   overall best weight:    2.0186

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

Flipped N/Q/H residues before XYZ refinement:
I  94 GLN
K  94 GLN
P  29 HIS
Y  94 GLN
1  94 GLN
5  94 GLN
d  94 GLN
r  29 HIS
v  29 HIS

Total number of N/Q/H flips: 9

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7069
moved from start:          0.4449

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.005   0.108  92820  Z= 0.355
  Angle     :  0.720  12.719 125160  Z= 0.373
  Chirality :  0.051   0.192  14700
  Planarity :  0.006   0.068  15720
  Dihedral  :  5.185  46.782  12262
  Min Nonbonded Distance : 2.110

Molprobity Statistics.
  All-atom Clashscore : 11.85
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  3.93 %
    Favored  : 96.07 %
  Rotamer:
    Outliers :  7.24 %
    Allowed  : 26.99 %
    Favored  : 65.77 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 10.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.03 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -0.52 (0.08), residues: 11940
  helix:  0.99 (0.07), residues: 5700
  sheet: -1.69 (0.12), residues: 1800
  loop : -1.46 (0.09), residues: 4440

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.026   0.003   TRP g 186 
 HIS   0.012   0.002   HIS J 110 
 PHE   0.036   0.002   PHE X  51 
 TYR   0.016   0.003   TYR j 126 
 ARG   0.010   0.001   ARG 6  96 

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

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

  23880 Ramachandran restraints generated.
    11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  23880 Ramachandran restraints generated.
    11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  2529 residues out of total 9840 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 712
    poor density    : 1817
  time to evaluate  : 7.802 
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: A   24 GLU cc_start: 0.5255 (OUTLIER) cc_final: 0.5002 (pm20)
REVERT: A   80 MET cc_start: 0.6994 (mtp) cc_final: 0.6525 (mtp)
REVERT: B  120 LYS cc_start: 0.6929 (mttm) cc_final: 0.6491 (ttpp)
REVERT: C   22 MET cc_start: 0.8024 (mmm) cc_final: 0.7278 (mpp)
REVERT: C   25 LEU cc_start: 0.7290 (OUTLIER) cc_final: 0.7029 (mt)
REVERT: C   59 GLU cc_start: 0.5966 (tt0) cc_final: 0.5462 (tt0)
REVERT: C  113 GLU cc_start: 0.7046 (mp0) cc_final: 0.6719 (tp30)
REVERT: D  213 LYS cc_start: 0.6652 (tttm) cc_final: 0.6261 (tptm)
REVERT: E  112 ASP cc_start: 0.7677 (t0) cc_final: 0.7111 (t0)
REVERT: F   74 LEU cc_start: 0.7581 (OUTLIER) cc_final: 0.7244 (tt)
REVERT: F  104 GLU cc_start: 0.6827 (mt-10) cc_final: 0.6482 (mt-10)
REVERT: F  161 LYS cc_start: 0.8461 (OUTLIER) cc_final: 0.8055 (ttpt)
REVERT: H   24 GLU cc_start: 0.4982 (OUTLIER) cc_final: 0.4161 (pm20)
REVERT: H   52 LEU cc_start: 0.7574 (OUTLIER) cc_final: 0.7099 (mp)
REVERT: H  220 ARG cc_start: 0.7410 (tmm-80) cc_final: 0.6814 (mtm110)
REVERT: I   59 GLU cc_start: 0.7242 (tt0) cc_final: 0.6977 (tt0)
REVERT: J   74 LEU cc_start: 0.7314 (OUTLIER) cc_final: 0.6809 (tt)
REVERT: K   24 GLU cc_start: 0.4495 (OUTLIER) cc_final: 0.4244 (pm20)
REVERT: L   24 GLU cc_start: 0.3954 (OUTLIER) cc_final: 0.3494 (pm20)
REVERT: L  131 MET cc_start: 0.6339 (mmm) cc_final: 0.5229 (ttt)
REVERT: L  220 ARG cc_start: 0.6730 (mtm110) cc_final: 0.6452 (mmt90)
REVERT: N  213 LYS cc_start: 0.6628 (tttm) cc_final: 0.6171 (tptt)
REVERT: O   24 GLU cc_start: 0.5673 (OUTLIER) cc_final: 0.5472 (pm20)
REVERT: P  136 LEU cc_start: 0.7683 (OUTLIER) cc_final: 0.7473 (tt)
REVERT: Q  186 TRP cc_start: 0.7334 (m100) cc_final: 0.6759 (m100)
REVERT: Q  215 PHE cc_start: 0.7591 (OUTLIER) cc_final: 0.6864 (t80)
REVERT: R   58 ILE cc_start: 0.6913 (mm) cc_final: 0.6581 (mm)
REVERT: R  110 HIS cc_start: 0.6867 (OUTLIER) cc_final: 0.6332 (m170)
REVERT: U   24 GLU cc_start: 0.3954 (OUTLIER) cc_final: 0.3495 (pm20)
REVERT: U  131 MET cc_start: 0.6339 (mmm) cc_final: 0.5230 (ttt)
REVERT: U  220 ARG cc_start: 0.6730 (mtm110) cc_final: 0.6452 (mmt90)
REVERT: W  213 LYS cc_start: 0.6628 (tttm) cc_final: 0.6170 (tptt)
REVERT: X   24 GLU cc_start: 0.5673 (OUTLIER) cc_final: 0.5473 (pm20)
REVERT: Y   24 GLU cc_start: 0.4493 (OUTLIER) cc_final: 0.4244 (pm20)
REVERT: 0   24 GLU cc_start: 0.4983 (OUTLIER) cc_final: 0.4162 (pm20)
REVERT: 0   52 LEU cc_start: 0.7577 (OUTLIER) cc_final: 0.7103 (mp)
REVERT: 0  220 ARG cc_start: 0.7410 (tmm-80) cc_final: 0.6815 (mtm110)
REVERT: 1   59 GLU cc_start: 0.7242 (tt0) cc_final: 0.6977 (tt0)
REVERT: 2   74 LEU cc_start: 0.7314 (OUTLIER) cc_final: 0.6808 (tt)
REVERT: 3   74 LEU cc_start: 0.7581 (OUTLIER) cc_final: 0.7245 (tt)
REVERT: 3  104 GLU cc_start: 0.6828 (mt-10) cc_final: 0.6483 (mt-10)
REVERT: 3  161 LYS cc_start: 0.8461 (OUTLIER) cc_final: 0.8055 (ttpt)
REVERT: 5   24 GLU cc_start: 0.4493 (OUTLIER) cc_final: 0.4249 (pm20)
REVERT: 6   24 GLU cc_start: 0.3953 (OUTLIER) cc_final: 0.3494 (pm20)
REVERT: 6  131 MET cc_start: 0.6339 (mmm) cc_final: 0.5229 (ttt)
REVERT: 6  220 ARG cc_start: 0.6730 (mtm110) cc_final: 0.6452 (mmt90)
REVERT: 8  213 LYS cc_start: 0.6628 (tttm) cc_final: 0.6171 (tptt)
REVERT: 9   74 LEU cc_start: 0.7314 (OUTLIER) cc_final: 0.6808 (tt)
REVERT: a   74 LEU cc_start: 0.7581 (OUTLIER) cc_final: 0.7244 (tt)
REVERT: a  104 GLU cc_start: 0.6827 (mt-10) cc_final: 0.6482 (mt-10)
REVERT: a  161 LYS cc_start: 0.8461 (OUTLIER) cc_final: 0.8055 (ttpt)
REVERT: c   24 GLU cc_start: 0.4983 (OUTLIER) cc_final: 0.4162 (pm20)
REVERT: c   52 LEU cc_start: 0.7574 (OUTLIER) cc_final: 0.7099 (mp)
REVERT: c  220 ARG cc_start: 0.7410 (tmm-80) cc_final: 0.6815 (mtm110)
REVERT: d   59 GLU cc_start: 0.7242 (tt0) cc_final: 0.6977 (tt0)
REVERT: e   22 MET cc_start: 0.8024 (mmm) cc_final: 0.7278 (mpp)
REVERT: e   25 LEU cc_start: 0.7293 (OUTLIER) cc_final: 0.7033 (mt)
REVERT: e   59 GLU cc_start: 0.5966 (tt0) cc_final: 0.5462 (tt0)
REVERT: e  113 GLU cc_start: 0.7046 (mp0) cc_final: 0.6719 (tp30)
REVERT: f  213 LYS cc_start: 0.6652 (tttm) cc_final: 0.6261 (tptm)
REVERT: g  112 ASP cc_start: 0.7677 (t0) cc_final: 0.7111 (t0)
REVERT: h   24 GLU cc_start: 0.5255 (OUTLIER) cc_final: 0.5003 (pm20)
REVERT: h   80 MET cc_start: 0.6994 (mtp) cc_final: 0.6526 (mtp)
REVERT: i  120 LYS cc_start: 0.6929 (mttm) cc_final: 0.6489 (ttpp)
REVERT: j  213 LYS cc_start: 0.6654 (tttm) cc_final: 0.6261 (tptm)
REVERT: k  112 ASP cc_start: 0.7677 (t0) cc_final: 0.7111 (t0)
REVERT: l   24 GLU cc_start: 0.5255 (OUTLIER) cc_final: 0.5003 (pm20)
REVERT: l   80 MET cc_start: 0.6994 (mtp) cc_final: 0.6525 (mtp)
REVERT: m  120 LYS cc_start: 0.6929 (mttm) cc_final: 0.6490 (ttpp)
REVERT: n   22 MET cc_start: 0.8024 (mmm) cc_final: 0.7277 (mpp)
REVERT: n   25 LEU cc_start: 0.7294 (OUTLIER) cc_final: 0.7033 (mt)
REVERT: n   59 GLU cc_start: 0.5966 (tt0) cc_final: 0.5462 (tt0)
REVERT: n  113 GLU cc_start: 0.7046 (mp0) cc_final: 0.6719 (tp30)
REVERT: o   58 ILE cc_start: 0.6914 (mm) cc_final: 0.6581 (mm)
REVERT: o  110 HIS cc_start: 0.6867 (OUTLIER) cc_final: 0.6332 (m170)
REVERT: r  136 LEU cc_start: 0.7683 (OUTLIER) cc_final: 0.7473 (tt)
REVERT: s  186 TRP cc_start: 0.7334 (m100) cc_final: 0.6758 (m100)
REVERT: s  215 PHE cc_start: 0.7590 (OUTLIER) cc_final: 0.6864 (t80)
REVERT: v  136 LEU cc_start: 0.7683 (OUTLIER) cc_final: 0.7473 (tt)
REVERT: w  186 TRP cc_start: 0.7334 (m100) cc_final: 0.6758 (m100)
REVERT: w  215 PHE cc_start: 0.7591 (OUTLIER) cc_final: 0.6864 (t80)
REVERT: x   58 ILE cc_start: 0.6913 (mm) cc_final: 0.6581 (mm)
REVERT: x  110 HIS cc_start: 0.6867 (OUTLIER) cc_final: 0.6332 (m170)
  outliers start: 712
  outliers final: 370
  residues processed: 2305
  average time/residue: 0.7515
  time to fit residues: 3084.5853
Evaluate side-chains
  1977 residues out of total 9840 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 408
    poor density    : 1569
  time to evaluate  : 7.943 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   24 GLU
Chi-restraints excluded: chain A residue  196 VAL
Chi-restraints excluded: chain B residue   24 GLU
Chi-restraints excluded: chain B residue   99 VAL
Chi-restraints excluded: chain B residue  146 ILE
Chi-restraints excluded: chain B residue  160 VAL
Chi-restraints excluded: chain B residue  170 VAL
Chi-restraints excluded: chain B residue  175 THR
Chi-restraints excluded: chain B residue  196 VAL
Chi-restraints excluded: chain C residue   25 LEU
Chi-restraints excluded: chain C residue   31 ILE
Chi-restraints excluded: chain C residue   69 THR
Chi-restraints excluded: chain C residue   78 LYS
Chi-restraints excluded: chain C residue  145 THR
Chi-restraints excluded: chain C residue  146 ILE
Chi-restraints excluded: chain C residue  154 VAL
Chi-restraints excluded: chain C residue  185 GLU
Chi-restraints excluded: chain D residue   24 GLU
Chi-restraints excluded: chain D residue   89 VAL
Chi-restraints excluded: chain D residue  154 VAL
Chi-restraints excluded: chain D residue  170 VAL
Chi-restraints excluded: chain D residue  173 VAL
Chi-restraints excluded: chain D residue  194 VAL
Chi-restraints excluded: chain D residue  216 VAL
Chi-restraints excluded: chain D residue  219 ILE
Chi-restraints excluded: chain E residue   24 GLU
Chi-restraints excluded: chain E residue   92 VAL
Chi-restraints excluded: chain E residue  191 VAL
Chi-restraints excluded: chain E residue  194 VAL
Chi-restraints excluded: chain E residue  216 VAL
Chi-restraints excluded: chain E residue  219 ILE
Chi-restraints excluded: chain F residue   31 ILE
Chi-restraints excluded: chain F residue   74 LEU
Chi-restraints excluded: chain F residue   92 VAL
Chi-restraints excluded: chain F residue  110 HIS
Chi-restraints excluded: chain F residue  145 THR
Chi-restraints excluded: chain F residue  161 LYS
Chi-restraints excluded: chain F residue  173 VAL
Chi-restraints excluded: chain F residue  178 VAL
Chi-restraints excluded: chain F residue  179 ASN
Chi-restraints excluded: chain F residue  196 VAL
Chi-restraints excluded: chain F residue  204 THR
Chi-restraints excluded: chain F residue  216 VAL
Chi-restraints excluded: chain G residue   25 LEU
Chi-restraints excluded: chain G residue   32 VAL
Chi-restraints excluded: chain G residue   34 VAL
Chi-restraints excluded: chain G residue  111 LEU
Chi-restraints excluded: chain G residue  124 VAL
Chi-restraints excluded: chain G residue  173 VAL
Chi-restraints excluded: chain G residue  206 VAL
Chi-restraints excluded: chain G residue  216 VAL
Chi-restraints excluded: chain H residue   24 GLU
Chi-restraints excluded: chain H residue   34 VAL
Chi-restraints excluded: chain H residue   52 LEU
Chi-restraints excluded: chain H residue   69 THR
Chi-restraints excluded: chain H residue   92 VAL
Chi-restraints excluded: chain H residue  110 HIS
Chi-restraints excluded: chain H residue  142 LEU
Chi-restraints excluded: chain H residue  154 VAL
Chi-restraints excluded: chain H residue  194 VAL
Chi-restraints excluded: chain H residue  215 PHE
Chi-restraints excluded: chain I residue   22 MET
Chi-restraints excluded: chain I residue   31 ILE
Chi-restraints excluded: chain I residue   34 VAL
Chi-restraints excluded: chain I residue  175 THR
Chi-restraints excluded: chain I residue  178 VAL
Chi-restraints excluded: chain I residue  192 LEU
Chi-restraints excluded: chain J residue   31 ILE
Chi-restraints excluded: chain J residue   38 ASN
Chi-restraints excluded: chain J residue   74 LEU
Chi-restraints excluded: chain J residue   84 ILE
Chi-restraints excluded: chain J residue  145 THR
Chi-restraints excluded: chain J residue  183 VAL
Chi-restraints excluded: chain K residue   24 GLU
Chi-restraints excluded: chain K residue   34 VAL
Chi-restraints excluded: chain K residue   38 ASN
Chi-restraints excluded: chain K residue   69 THR
Chi-restraints excluded: chain K residue   99 VAL
Chi-restraints excluded: chain K residue  115 ILE
Chi-restraints excluded: chain K residue  175 THR
Chi-restraints excluded: chain K residue  196 VAL
Chi-restraints excluded: chain L residue   24 GLU
Chi-restraints excluded: chain L residue   31 ILE
Chi-restraints excluded: chain L residue  145 THR
Chi-restraints excluded: chain L residue  146 ILE
Chi-restraints excluded: chain L residue  178 VAL
Chi-restraints excluded: chain L residue  192 LEU
Chi-restraints excluded: chain M residue   34 VAL
Chi-restraints excluded: chain M residue  124 VAL
Chi-restraints excluded: chain M residue  145 THR
Chi-restraints excluded: chain M residue  146 ILE
Chi-restraints excluded: chain M residue  170 VAL
Chi-restraints excluded: chain M residue  179 ASN
Chi-restraints excluded: chain N residue   68 ASP
Chi-restraints excluded: chain N residue   89 VAL
Chi-restraints excluded: chain N residue  110 HIS
Chi-restraints excluded: chain N residue  145 THR
Chi-restraints excluded: chain N residue  154 VAL
Chi-restraints excluded: chain N residue  173 VAL
Chi-restraints excluded: chain N residue  219 ILE
Chi-restraints excluded: chain O residue   24 GLU
Chi-restraints excluded: chain O residue   92 VAL
Chi-restraints excluded: chain O residue  111 LEU
Chi-restraints excluded: chain O residue  154 VAL
Chi-restraints excluded: chain O residue  180 LEU
Chi-restraints excluded: chain O residue  194 VAL
Chi-restraints excluded: chain O residue  196 VAL
Chi-restraints excluded: chain O residue  216 VAL
Chi-restraints excluded: chain P residue   31 ILE
Chi-restraints excluded: chain P residue   74 LEU
Chi-restraints excluded: chain P residue   83 ILE
Chi-restraints excluded: chain P residue  110 HIS
Chi-restraints excluded: chain P residue  111 LEU
Chi-restraints excluded: chain P residue  124 VAL
Chi-restraints excluded: chain P residue  136 LEU
Chi-restraints excluded: chain P residue  145 THR
Chi-restraints excluded: chain Q residue   34 VAL
Chi-restraints excluded: chain Q residue  110 HIS
Chi-restraints excluded: chain Q residue  124 VAL
Chi-restraints excluded: chain Q residue  173 VAL
Chi-restraints excluded: chain Q residue  181 ASP
Chi-restraints excluded: chain Q residue  215 PHE
Chi-restraints excluded: chain R residue   25 LEU
Chi-restraints excluded: chain R residue   34 VAL
Chi-restraints excluded: chain R residue  110 HIS
Chi-restraints excluded: chain R residue  115 ILE
Chi-restraints excluded: chain R residue  215 PHE
Chi-restraints excluded: chain S residue   31 ILE
Chi-restraints excluded: chain S residue  131 MET
Chi-restraints excluded: chain S residue  175 THR
Chi-restraints excluded: chain S residue  178 VAL
Chi-restraints excluded: chain S residue  192 LEU
Chi-restraints excluded: chain T residue   38 ASN
Chi-restraints excluded: chain T residue   74 LEU
Chi-restraints excluded: chain T residue  136 LEU
Chi-restraints excluded: chain T residue  145 THR
Chi-restraints excluded: chain U residue   24 GLU
Chi-restraints excluded: chain U residue   31 ILE
Chi-restraints excluded: chain U residue  145 THR
Chi-restraints excluded: chain U residue  146 ILE
Chi-restraints excluded: chain U residue  178 VAL
Chi-restraints excluded: chain U residue  192 LEU
Chi-restraints excluded: chain V residue   34 VAL
Chi-restraints excluded: chain V residue  124 VAL
Chi-restraints excluded: chain V residue  145 THR
Chi-restraints excluded: chain V residue  146 ILE
Chi-restraints excluded: chain V residue  170 VAL
Chi-restraints excluded: chain V residue  179 ASN
Chi-restraints excluded: chain W residue   68 ASP
Chi-restraints excluded: chain W residue   89 VAL
Chi-restraints excluded: chain W residue  110 HIS
Chi-restraints excluded: chain W residue  145 THR
Chi-restraints excluded: chain W residue  154 VAL
Chi-restraints excluded: chain W residue  173 VAL
Chi-restraints excluded: chain W residue  219 ILE
Chi-restraints excluded: chain X residue   24 GLU
Chi-restraints excluded: chain X residue   92 VAL
Chi-restraints excluded: chain X residue  111 LEU
Chi-restraints excluded: chain X residue  154 VAL
Chi-restraints excluded: chain X residue  180 LEU
Chi-restraints excluded: chain X residue  194 VAL
Chi-restraints excluded: chain X residue  196 VAL
Chi-restraints excluded: chain X residue  216 VAL
Chi-restraints excluded: chain Y residue   24 GLU
Chi-restraints excluded: chain Y residue   34 VAL
Chi-restraints excluded: chain Y residue   38 ASN
Chi-restraints excluded: chain Y residue   69 THR
Chi-restraints excluded: chain Y residue   99 VAL
Chi-restraints excluded: chain Y residue  115 ILE
Chi-restraints excluded: chain Y residue  175 THR
Chi-restraints excluded: chain Y residue  196 VAL
Chi-restraints excluded: chain Z residue   25 LEU
Chi-restraints excluded: chain Z residue   32 VAL
Chi-restraints excluded: chain Z residue   34 VAL
Chi-restraints excluded: chain Z residue  111 LEU
Chi-restraints excluded: chain Z residue  124 VAL
Chi-restraints excluded: chain Z residue  173 VAL
Chi-restraints excluded: chain Z residue  206 VAL
Chi-restraints excluded: chain Z residue  216 VAL
Chi-restraints excluded: chain 0 residue   24 GLU
Chi-restraints excluded: chain 0 residue   34 VAL
Chi-restraints excluded: chain 0 residue   52 LEU
Chi-restraints excluded: chain 0 residue   69 THR
Chi-restraints excluded: chain 0 residue   92 VAL
Chi-restraints excluded: chain 0 residue  110 HIS
Chi-restraints excluded: chain 0 residue  142 LEU
Chi-restraints excluded: chain 0 residue  154 VAL
Chi-restraints excluded: chain 0 residue  194 VAL
Chi-restraints excluded: chain 0 residue  215 PHE
Chi-restraints excluded: chain 1 residue   22 MET
Chi-restraints excluded: chain 1 residue   31 ILE
Chi-restraints excluded: chain 1 residue   34 VAL
Chi-restraints excluded: chain 1 residue  175 THR
Chi-restraints excluded: chain 1 residue  178 VAL
Chi-restraints excluded: chain 1 residue  192 LEU
Chi-restraints excluded: chain 2 residue   31 ILE
Chi-restraints excluded: chain 2 residue   38 ASN
Chi-restraints excluded: chain 2 residue   74 LEU
Chi-restraints excluded: chain 2 residue   84 ILE
Chi-restraints excluded: chain 2 residue  145 THR
Chi-restraints excluded: chain 2 residue  183 VAL
Chi-restraints excluded: chain 3 residue   31 ILE
Chi-restraints excluded: chain 3 residue   74 LEU
Chi-restraints excluded: chain 3 residue   92 VAL
Chi-restraints excluded: chain 3 residue  110 HIS
Chi-restraints excluded: chain 3 residue  145 THR
Chi-restraints excluded: chain 3 residue  161 LYS
Chi-restraints excluded: chain 3 residue  173 VAL
Chi-restraints excluded: chain 3 residue  178 VAL
Chi-restraints excluded: chain 3 residue  179 ASN
Chi-restraints excluded: chain 3 residue  196 VAL
Chi-restraints excluded: chain 3 residue  204 THR
Chi-restraints excluded: chain 3 residue  216 VAL
Chi-restraints excluded: chain 4 residue   92 VAL
Chi-restraints excluded: chain 4 residue  111 LEU
Chi-restraints excluded: chain 4 residue  154 VAL
Chi-restraints excluded: chain 4 residue  180 LEU
Chi-restraints excluded: chain 4 residue  194 VAL
Chi-restraints excluded: chain 4 residue  196 VAL
Chi-restraints excluded: chain 4 residue  216 VAL
Chi-restraints excluded: chain 5 residue   24 GLU
Chi-restraints excluded: chain 5 residue   34 VAL
Chi-restraints excluded: chain 5 residue   38 ASN
Chi-restraints excluded: chain 5 residue   69 THR
Chi-restraints excluded: chain 5 residue   99 VAL
Chi-restraints excluded: chain 5 residue  115 ILE
Chi-restraints excluded: chain 5 residue  175 THR
Chi-restraints excluded: chain 5 residue  196 VAL
Chi-restraints excluded: chain 6 residue   24 GLU
Chi-restraints excluded: chain 6 residue   31 ILE
Chi-restraints excluded: chain 6 residue  145 THR
Chi-restraints excluded: chain 6 residue  146 ILE
Chi-restraints excluded: chain 6 residue  178 VAL
Chi-restraints excluded: chain 6 residue  192 LEU
Chi-restraints excluded: chain 7 residue   34 VAL
Chi-restraints excluded: chain 7 residue  124 VAL
Chi-restraints excluded: chain 7 residue  145 THR
Chi-restraints excluded: chain 7 residue  146 ILE
Chi-restraints excluded: chain 7 residue  170 VAL
Chi-restraints excluded: chain 7 residue  179 ASN
Chi-restraints excluded: chain 8 residue   68 ASP
Chi-restraints excluded: chain 8 residue   89 VAL
Chi-restraints excluded: chain 8 residue  110 HIS
Chi-restraints excluded: chain 8 residue  145 THR
Chi-restraints excluded: chain 8 residue  154 VAL
Chi-restraints excluded: chain 8 residue  173 VAL
Chi-restraints excluded: chain 8 residue  219 ILE
Chi-restraints excluded: chain 9 residue   31 ILE
Chi-restraints excluded: chain 9 residue   38 ASN
Chi-restraints excluded: chain 9 residue   74 LEU
Chi-restraints excluded: chain 9 residue   84 ILE
Chi-restraints excluded: chain 9 residue  145 THR
Chi-restraints excluded: chain 9 residue  183 VAL
Chi-restraints excluded: chain a residue   31 ILE
Chi-restraints excluded: chain a residue   74 LEU
Chi-restraints excluded: chain a residue   92 VAL
Chi-restraints excluded: chain a residue  110 HIS
Chi-restraints excluded: chain a residue  145 THR
Chi-restraints excluded: chain a residue  161 LYS
Chi-restraints excluded: chain a residue  173 VAL
Chi-restraints excluded: chain a residue  178 VAL
Chi-restraints excluded: chain a residue  179 ASN
Chi-restraints excluded: chain a residue  196 VAL
Chi-restraints excluded: chain a residue  216 VAL
Chi-restraints excluded: chain b residue   25 LEU
Chi-restraints excluded: chain b residue   32 VAL
Chi-restraints excluded: chain b residue   34 VAL
Chi-restraints excluded: chain b residue  111 LEU
Chi-restraints excluded: chain b residue  124 VAL
Chi-restraints excluded: chain b residue  173 VAL
Chi-restraints excluded: chain b residue  206 VAL
Chi-restraints excluded: chain b residue  216 VAL
Chi-restraints excluded: chain c residue   24 GLU
Chi-restraints excluded: chain c residue   34 VAL
Chi-restraints excluded: chain c residue   52 LEU
Chi-restraints excluded: chain c residue   69 THR
Chi-restraints excluded: chain c residue   92 VAL
Chi-restraints excluded: chain c residue  110 HIS
Chi-restraints excluded: chain c residue  142 LEU
Chi-restraints excluded: chain c residue  154 VAL
Chi-restraints excluded: chain c residue  194 VAL
Chi-restraints excluded: chain c residue  215 PHE
Chi-restraints excluded: chain d residue   22 MET
Chi-restraints excluded: chain d residue   31 ILE
Chi-restraints excluded: chain d residue   34 VAL
Chi-restraints excluded: chain d residue  175 THR
Chi-restraints excluded: chain d residue  178 VAL
Chi-restraints excluded: chain d residue  192 LEU
Chi-restraints excluded: chain e residue   25 LEU
Chi-restraints excluded: chain e residue   31 ILE
Chi-restraints excluded: chain e residue   69 THR
Chi-restraints excluded: chain e residue   78 LYS
Chi-restraints excluded: chain e residue  145 THR
Chi-restraints excluded: chain e residue  146 ILE
Chi-restraints excluded: chain e residue  154 VAL
Chi-restraints excluded: chain e residue  185 GLU
Chi-restraints excluded: chain f residue   24 GLU
Chi-restraints excluded: chain f residue   89 VAL
Chi-restraints excluded: chain f residue  137 VAL
Chi-restraints excluded: chain f residue  154 VAL
Chi-restraints excluded: chain f residue  170 VAL
Chi-restraints excluded: chain f residue  173 VAL
Chi-restraints excluded: chain f residue  194 VAL
Chi-restraints excluded: chain f residue  216 VAL
Chi-restraints excluded: chain f residue  219 ILE
Chi-restraints excluded: chain g residue   24 GLU
Chi-restraints excluded: chain g residue   92 VAL
Chi-restraints excluded: chain g residue  191 VAL
Chi-restraints excluded: chain g residue  194 VAL
Chi-restraints excluded: chain g residue  216 VAL
Chi-restraints excluded: chain g residue  219 ILE
Chi-restraints excluded: chain h residue   24 GLU
Chi-restraints excluded: chain h residue  196 VAL
Chi-restraints excluded: chain i residue   24 GLU
Chi-restraints excluded: chain i residue   99 VAL
Chi-restraints excluded: chain i residue  146 ILE
Chi-restraints excluded: chain i residue  160 VAL
Chi-restraints excluded: chain i residue  170 VAL
Chi-restraints excluded: chain i residue  175 THR
Chi-restraints excluded: chain i residue  196 VAL
Chi-restraints excluded: chain j residue   24 GLU
Chi-restraints excluded: chain j residue   89 VAL
Chi-restraints excluded: chain j residue  137 VAL
Chi-restraints excluded: chain j residue  154 VAL
Chi-restraints excluded: chain j residue  170 VAL
Chi-restraints excluded: chain j residue  173 VAL
Chi-restraints excluded: chain j residue  194 VAL
Chi-restraints excluded: chain j residue  216 VAL
Chi-restraints excluded: chain j residue  219 ILE
Chi-restraints excluded: chain k residue   24 GLU
Chi-restraints excluded: chain k residue   92 VAL
Chi-restraints excluded: chain k residue  191 VAL
Chi-restraints excluded: chain k residue  194 VAL
Chi-restraints excluded: chain k residue  216 VAL
Chi-restraints excluded: chain k residue  219 ILE
Chi-restraints excluded: chain l residue   24 GLU
Chi-restraints excluded: chain l residue  196 VAL
Chi-restraints excluded: chain m residue   24 GLU
Chi-restraints excluded: chain m residue   99 VAL
Chi-restraints excluded: chain m residue  146 ILE
Chi-restraints excluded: chain m residue  160 VAL
Chi-restraints excluded: chain m residue  170 VAL
Chi-restraints excluded: chain m residue  175 THR
Chi-restraints excluded: chain m residue  196 VAL
Chi-restraints excluded: chain n residue   25 LEU
Chi-restraints excluded: chain n residue   31 ILE
Chi-restraints excluded: chain n residue   69 THR
Chi-restraints excluded: chain n residue   78 LYS
Chi-restraints excluded: chain n residue  145 THR
Chi-restraints excluded: chain n residue  146 ILE
Chi-restraints excluded: chain n residue  154 VAL
Chi-restraints excluded: chain n residue  185 GLU
Chi-restraints excluded: chain o residue   25 LEU
Chi-restraints excluded: chain o residue   34 VAL
Chi-restraints excluded: chain o residue  110 HIS
Chi-restraints excluded: chain o residue  115 ILE
Chi-restraints excluded: chain o residue  215 PHE
Chi-restraints excluded: chain p residue   31 ILE
Chi-restraints excluded: chain p residue  131 MET
Chi-restraints excluded: chain p residue  175 THR
Chi-restraints excluded: chain p residue  178 VAL
Chi-restraints excluded: chain p residue  192 LEU
Chi-restraints excluded: chain q residue   38 ASN
Chi-restraints excluded: chain q residue   74 LEU
Chi-restraints excluded: chain q residue  136 LEU
Chi-restraints excluded: chain q residue  145 THR
Chi-restraints excluded: chain r residue   31 ILE
Chi-restraints excluded: chain r residue   74 LEU
Chi-restraints excluded: chain r residue   83 ILE
Chi-restraints excluded: chain r residue  110 HIS
Chi-restraints excluded: chain r residue  111 LEU
Chi-restraints excluded: chain r residue  124 VAL
Chi-restraints excluded: chain r residue  136 LEU
Chi-restraints excluded: chain r residue  145 THR
Chi-restraints excluded: chain s residue   34 VAL
Chi-restraints excluded: chain s residue  110 HIS
Chi-restraints excluded: chain s residue  124 VAL
Chi-restraints excluded: chain s residue  173 VAL
Chi-restraints excluded: chain s residue  181 ASP
Chi-restraints excluded: chain s residue  215 PHE
Chi-restraints excluded: chain t residue   31 ILE
Chi-restraints excluded: chain t residue  131 MET
Chi-restraints excluded: chain t residue  175 THR
Chi-restraints excluded: chain t residue  178 VAL
Chi-restraints excluded: chain t residue  192 LEU
Chi-restraints excluded: chain u residue   38 ASN
Chi-restraints excluded: chain u residue   74 LEU
Chi-restraints excluded: chain u residue  136 LEU
Chi-restraints excluded: chain u residue  145 THR
Chi-restraints excluded: chain v residue   31 ILE
Chi-restraints excluded: chain v residue   74 LEU
Chi-restraints excluded: chain v residue   83 ILE
Chi-restraints excluded: chain v residue  110 HIS
Chi-restraints excluded: chain v residue  111 LEU
Chi-restraints excluded: chain v residue  124 VAL
Chi-restraints excluded: chain v residue  136 LEU
Chi-restraints excluded: chain v residue  145 THR
Chi-restraints excluded: chain w residue   34 VAL
Chi-restraints excluded: chain w residue  110 HIS
Chi-restraints excluded: chain w residue  124 VAL
Chi-restraints excluded: chain w residue  173 VAL
Chi-restraints excluded: chain w residue  181 ASP
Chi-restraints excluded: chain w residue  215 PHE
Chi-restraints excluded: chain x residue   25 LEU
Chi-restraints excluded: chain x residue   34 VAL
Chi-restraints excluded: chain x residue  110 HIS
Chi-restraints excluded: chain x residue  115 ILE
Chi-restraints excluded: chain x residue  215 PHE
Rotamers are restrained with sigma=4.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 1200
   random chunks:
   chunk 605 optimal weight:    0.9990
   chunk 338 optimal weight:    6.9990
   chunk 906 optimal weight:    8.9990
   chunk 742 optimal weight:    0.9990
   chunk 300 optimal weight:    5.9990
   chunk 1091 optimal weight:    3.9990
   chunk 1179 optimal weight:    3.9990
   chunk 972 optimal weight:    1.9990
   chunk 1082 optimal weight:    0.9980
   chunk 372 optimal weight:    0.8980
   chunk 875 optimal weight:    0.7980
   overall best weight:    0.9384

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

Flipped N/Q/H residues before XYZ refinement:
F  29 HIS
J  56 HIS
** O 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
T  56 HIS
** X 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
2  56 HIS
3  29 HIS
** 4 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
9  56 HIS
a  29 HIS
q  56 HIS
u  56 HIS

Total number of N/Q/H flips: 9

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7160
moved from start:          0.5369

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.053  92820  Z= 0.214
  Angle     :  0.572  10.696 125160  Z= 0.292
  Chirality :  0.047   0.214  14700
  Planarity :  0.005   0.056  15720
  Dihedral  :  4.731  48.706  12246
  Min Nonbonded Distance : 2.172

Molprobity Statistics.
  All-atom Clashscore : 11.41
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  2.71 %
    Favored  : 97.29 %
  Rotamer:
    Outliers :  6.16 %
    Allowed  : 28.99 %
    Favored  : 64.85 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 10.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -0.56 (0.08), residues: 11940
  helix:  1.05 (0.07), residues: 6060
  sheet: -1.75 (0.12), residues: 1800
  loop : -1.84 (0.10), residues: 4080

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.007   0.001   TRP Z 186 
 HIS   0.011   0.001   HIS C 110 
 PHE   0.030   0.001   PHE k  51 
 TYR   0.016   0.002   TYR O 126 
 ARG   0.010   0.001   ARG 8  96 

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

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

  23880 Ramachandran restraints generated.
    11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  23880 Ramachandran restraints generated.
    11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  2249 residues out of total 9840 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 606
    poor density    : 1643
  time to evaluate  : 7.719 
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: A   24 GLU cc_start: 0.5449 (OUTLIER) cc_final: 0.5166 (pm20)
REVERT: A   74 LEU cc_start: 0.7372 (OUTLIER) cc_final: 0.6997 (tt)
REVERT: A   80 MET cc_start: 0.7284 (mtp) cc_final: 0.6850 (mtp)
REVERT: A  120 LYS cc_start: 0.7157 (mttm) cc_final: 0.6905 (ttpp)
REVERT: B   96 ARG cc_start: 0.7375 (ttp80) cc_final: 0.7117 (tmm160)
REVERT: B  120 LYS cc_start: 0.7272 (mttm) cc_final: 0.6905 (ttpp)
REVERT: C   59 GLU cc_start: 0.6182 (tt0) cc_final: 0.5755 (tt0)
REVERT: C  113 GLU cc_start: 0.7062 (mp0) cc_final: 0.6733 (tp30)
REVERT: E  106 ILE cc_start: 0.8660 (mm) cc_final: 0.8349 (mm)
REVERT: E  112 ASP cc_start: 0.7391 (t0) cc_final: 0.6602 (t0)
REVERT: E  163 MET cc_start: 0.8008 (tpp) cc_final: 0.7766 (tpp)
REVERT: F   74 LEU cc_start: 0.7519 (OUTLIER) cc_final: 0.7091 (tt)
REVERT: F  120 LYS cc_start: 0.6881 (pttt) cc_final: 0.6634 (pttp)
REVERT: F  161 LYS cc_start: 0.8533 (OUTLIER) cc_final: 0.8053 (ttpt)
REVERT: G   22 MET cc_start: 0.7616 (OUTLIER) cc_final: 0.6670 (mmp)
REVERT: H   22 MET cc_start: 0.6885 (OUTLIER) cc_final: 0.6450 (mmt)
REVERT: H   24 GLU cc_start: 0.4656 (OUTLIER) cc_final: 0.4440 (pm20)
REVERT: H  180 LEU cc_start: 0.8126 (OUTLIER) cc_final: 0.7621 (mp)
REVERT: H  220 ARG cc_start: 0.7356 (tmm-80) cc_final: 0.6811 (mtm110)
REVERT: I   59 GLU cc_start: 0.7269 (tt0) cc_final: 0.7060 (tt0)
REVERT: I  105 PHE cc_start: 0.7915 (m-10) cc_final: 0.7710 (m-10)
REVERT: I  131 MET cc_start: 0.6311 (OUTLIER) cc_final: 0.5952 (mmm)
REVERT: J   77 LEU cc_start: 0.7570 (OUTLIER) cc_final: 0.7298 (mp)
REVERT: J  120 LYS cc_start: 0.7625 (mttm) cc_final: 0.7078 (ttpp)
REVERT: J  220 ARG cc_start: 0.7047 (mtm110) cc_final: 0.6728 (mmt90)
REVERT: K   96 ARG cc_start: 0.7543 (tmm-80) cc_final: 0.6846 (tpp80)
REVERT: L   24 GLU cc_start: 0.3916 (OUTLIER) cc_final: 0.3530 (pm20)
REVERT: L  131 MET cc_start: 0.6143 (mmm) cc_final: 0.5749 (ttt)
REVERT: M  111 LEU cc_start: 0.8164 (OUTLIER) cc_final: 0.7812 (tt)
REVERT: N  210 GLU cc_start: 0.7195 (tm-30) cc_final: 0.6684 (mt-10)
REVERT: N  213 LYS cc_start: 0.6850 (tttm) cc_final: 0.6484 (tptt)
REVERT: O  106 ILE cc_start: 0.8388 (mm) cc_final: 0.8148 (mm)
REVERT: R   22 MET cc_start: 0.4093 (mtp) cc_final: 0.3861 (mtt)
REVERT: R   58 ILE cc_start: 0.7022 (mm) cc_final: 0.6766 (mm)
REVERT: R  126 TYR cc_start: 0.6624 (t80) cc_final: 0.6322 (t80)
REVERT: U   24 GLU cc_start: 0.3916 (OUTLIER) cc_final: 0.3530 (pm20)
REVERT: U  131 MET cc_start: 0.6141 (mmm) cc_final: 0.5747 (ttt)
REVERT: V  111 LEU cc_start: 0.8164 (OUTLIER) cc_final: 0.7811 (tt)
REVERT: W  210 GLU cc_start: 0.7195 (tm-30) cc_final: 0.6683 (mt-10)
REVERT: W  213 LYS cc_start: 0.6850 (tttm) cc_final: 0.6484 (tptt)
REVERT: X  106 ILE cc_start: 0.8388 (mm) cc_final: 0.8148 (mm)
REVERT: Y   96 ARG cc_start: 0.7542 (tmm-80) cc_final: 0.6846 (tpp80)
REVERT: Z   22 MET cc_start: 0.7617 (OUTLIER) cc_final: 0.6670 (mmp)
REVERT: 0   22 MET cc_start: 0.6956 (OUTLIER) cc_final: 0.6482 (mmt)
REVERT: 0   24 GLU cc_start: 0.4657 (OUTLIER) cc_final: 0.4444 (pm20)
REVERT: 0  180 LEU cc_start: 0.8126 (OUTLIER) cc_final: 0.7621 (mp)
REVERT: 0  220 ARG cc_start: 0.7357 (tmm-80) cc_final: 0.6812 (mtm110)
REVERT: 1   59 GLU cc_start: 0.7269 (tt0) cc_final: 0.7059 (tt0)
REVERT: 1  105 PHE cc_start: 0.7915 (m-10) cc_final: 0.7710 (m-10)
REVERT: 1  131 MET cc_start: 0.6310 (OUTLIER) cc_final: 0.5952 (mmm)
REVERT: 2   77 LEU cc_start: 0.7572 (OUTLIER) cc_final: 0.7297 (mp)
REVERT: 2  120 LYS cc_start: 0.7625 (mttm) cc_final: 0.7078 (ttpp)
REVERT: 2  220 ARG cc_start: 0.7045 (mtm110) cc_final: 0.6726 (mmt90)
REVERT: 3   74 LEU cc_start: 0.7520 (OUTLIER) cc_final: 0.7091 (tt)
REVERT: 3  120 LYS cc_start: 0.6880 (pttt) cc_final: 0.6633 (pttp)
REVERT: 3  161 LYS cc_start: 0.8533 (OUTLIER) cc_final: 0.8054 (ttpt)
REVERT: 4  106 ILE cc_start: 0.8389 (mm) cc_final: 0.8147 (mm)
REVERT: 5   96 ARG cc_start: 0.7544 (tmm-80) cc_final: 0.6848 (tpp80)
REVERT: 6   24 GLU cc_start: 0.3916 (OUTLIER) cc_final: 0.3529 (pm20)
REVERT: 6  131 MET cc_start: 0.6143 (mmm) cc_final: 0.5749 (ttt)
REVERT: 7  111 LEU cc_start: 0.8164 (OUTLIER) cc_final: 0.7812 (tt)
REVERT: 8  210 GLU cc_start: 0.7195 (tm-30) cc_final: 0.6684 (mt-10)
REVERT: 8  213 LYS cc_start: 0.6850 (tttm) cc_final: 0.6484 (tptt)
REVERT: 9   77 LEU cc_start: 0.7572 (OUTLIER) cc_final: 0.7298 (mp)
REVERT: 9  120 LYS cc_start: 0.7625 (mttm) cc_final: 0.7078 (ttpp)
REVERT: 9  220 ARG cc_start: 0.7045 (mtm110) cc_final: 0.6726 (mmt90)
REVERT: a   74 LEU cc_start: 0.7519 (OUTLIER) cc_final: 0.7091 (tt)
REVERT: a  120 LYS cc_start: 0.6880 (pttt) cc_final: 0.6634 (pttp)
REVERT: a  161 LYS cc_start: 0.8533 (OUTLIER) cc_final: 0.8054 (ttpt)
REVERT: b   22 MET cc_start: 0.7617 (OUTLIER) cc_final: 0.6670 (mmp)
REVERT: c   22 MET cc_start: 0.6885 (OUTLIER) cc_final: 0.6449 (mmt)
REVERT: c   24 GLU cc_start: 0.4656 (OUTLIER) cc_final: 0.4440 (pm20)
REVERT: c  180 LEU cc_start: 0.8126 (OUTLIER) cc_final: 0.7621 (mp)
REVERT: c  220 ARG cc_start: 0.7357 (tmm-80) cc_final: 0.6812 (mtm110)
REVERT: d   59 GLU cc_start: 0.7270 (tt0) cc_final: 0.7059 (tt0)
REVERT: d  131 MET cc_start: 0.6309 (OUTLIER) cc_final: 0.5953 (mmm)
REVERT: e   59 GLU cc_start: 0.6182 (tt0) cc_final: 0.5755 (tt0)
REVERT: e  113 GLU cc_start: 0.7062 (mp0) cc_final: 0.6733 (tp30)
REVERT: g  106 ILE cc_start: 0.8660 (mm) cc_final: 0.8349 (mm)
REVERT: g  112 ASP cc_start: 0.7392 (t0) cc_final: 0.6602 (t0)
REVERT: g  163 MET cc_start: 0.8008 (tpp) cc_final: 0.7767 (tpp)
REVERT: h   24 GLU cc_start: 0.5451 (OUTLIER) cc_final: 0.5166 (pm20)
REVERT: h   74 LEU cc_start: 0.7372 (OUTLIER) cc_final: 0.6996 (tt)
REVERT: h   80 MET cc_start: 0.7284 (mtp) cc_final: 0.6850 (mtp)
REVERT: h  120 LYS cc_start: 0.7159 (mttm) cc_final: 0.6905 (ttpp)
REVERT: i   96 ARG cc_start: 0.7373 (ttp80) cc_final: 0.7115 (tmm160)
REVERT: i  120 LYS cc_start: 0.7272 (mttm) cc_final: 0.6904 (ttpp)
REVERT: k  106 ILE cc_start: 0.8660 (mm) cc_final: 0.8348 (mm)
REVERT: k  112 ASP cc_start: 0.7392 (t0) cc_final: 0.6602 (t0)
REVERT: k  163 MET cc_start: 0.8008 (tpp) cc_final: 0.7767 (tpp)
REVERT: l   24 GLU cc_start: 0.5451 (OUTLIER) cc_final: 0.5166 (pm20)
REVERT: l   74 LEU cc_start: 0.7371 (OUTLIER) cc_final: 0.6996 (tt)
REVERT: l   80 MET cc_start: 0.7284 (mtp) cc_final: 0.6851 (mtp)
REVERT: l  120 LYS cc_start: 0.7159 (mttm) cc_final: 0.6905 (ttpp)
REVERT: m   96 ARG cc_start: 0.7375 (ttp80) cc_final: 0.7117 (tmm160)
REVERT: m  120 LYS cc_start: 0.7273 (mttm) cc_final: 0.6905 (ttpp)
REVERT: n   59 GLU cc_start: 0.6182 (tt0) cc_final: 0.5755 (tt0)
REVERT: n  113 GLU cc_start: 0.7063 (mp0) cc_final: 0.6733 (tp30)
REVERT: o   22 MET cc_start: 0.4093 (mtp) cc_final: 0.3861 (mtt)
REVERT: o   58 ILE cc_start: 0.7021 (mm) cc_final: 0.6765 (mm)
REVERT: o  126 TYR cc_start: 0.6624 (t80) cc_final: 0.6323 (t80)
REVERT: x   22 MET cc_start: 0.4093 (mtp) cc_final: 0.3861 (mtt)
REVERT: x   58 ILE cc_start: 0.7022 (mm) cc_final: 0.6766 (mm)
REVERT: x  126 TYR cc_start: 0.6624 (t80) cc_final: 0.6323 (t80)
  outliers start: 606
  outliers final: 330
  residues processed: 2029
  average time/residue: 0.7356
  time to fit residues: 2662.3843
Evaluate side-chains
  1863 residues out of total 9840 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 366
    poor density    : 1497
  time to evaluate  : 7.662 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   24 GLU
Chi-restraints excluded: chain A residue   34 VAL
Chi-restraints excluded: chain A residue   61 THR
Chi-restraints excluded: chain A residue   74 LEU
Chi-restraints excluded: chain A residue   99 VAL
Chi-restraints excluded: chain A residue  111 LEU
Chi-restraints excluded: chain A residue  115 ILE
Chi-restraints excluded: chain A residue  170 VAL
Chi-restraints excluded: chain A residue  179 ASN
Chi-restraints excluded: chain B residue   31 ILE
Chi-restraints excluded: chain B residue   99 VAL
Chi-restraints excluded: chain B residue  111 LEU
Chi-restraints excluded: chain B residue  146 ILE
Chi-restraints excluded: chain B residue  160 VAL
Chi-restraints excluded: chain B residue  179 ASN
Chi-restraints excluded: chain B residue  181 ASP
Chi-restraints excluded: chain B residue  196 VAL
Chi-restraints excluded: chain C residue  154 VAL
Chi-restraints excluded: chain C residue  179 ASN
Chi-restraints excluded: chain C residue  185 GLU
Chi-restraints excluded: chain D residue   89 VAL
Chi-restraints excluded: chain D residue  137 VAL
Chi-restraints excluded: chain D residue  154 VAL
Chi-restraints excluded: chain D residue  179 ASN
Chi-restraints excluded: chain D residue  181 ASP
Chi-restraints excluded: chain D residue  194 VAL
Chi-restraints excluded: chain D residue  196 VAL
Chi-restraints excluded: chain D residue  219 ILE
Chi-restraints excluded: chain E residue   34 VAL
Chi-restraints excluded: chain E residue  111 LEU
Chi-restraints excluded: chain E residue  154 VAL
Chi-restraints excluded: chain E residue  170 VAL
Chi-restraints excluded: chain E residue  179 ASN
Chi-restraints excluded: chain E residue  194 VAL
Chi-restraints excluded: chain E residue  219 ILE
Chi-restraints excluded: chain F residue   35 LEU
Chi-restraints excluded: chain F residue   74 LEU
Chi-restraints excluded: chain F residue  124 VAL
Chi-restraints excluded: chain F residue  145 THR
Chi-restraints excluded: chain F residue  161 LYS
Chi-restraints excluded: chain F residue  179 ASN
Chi-restraints excluded: chain F residue  204 THR
Chi-restraints excluded: chain G residue   22 MET
Chi-restraints excluded: chain G residue   32 VAL
Chi-restraints excluded: chain G residue   34 VAL
Chi-restraints excluded: chain G residue  111 LEU
Chi-restraints excluded: chain G residue  124 VAL
Chi-restraints excluded: chain G residue  181 ASP
Chi-restraints excluded: chain G residue  206 VAL
Chi-restraints excluded: chain H residue   22 MET
Chi-restraints excluded: chain H residue   24 GLU
Chi-restraints excluded: chain H residue   34 VAL
Chi-restraints excluded: chain H residue   52 LEU
Chi-restraints excluded: chain H residue   92 VAL
Chi-restraints excluded: chain H residue  154 VAL
Chi-restraints excluded: chain H residue  180 LEU
Chi-restraints excluded: chain I residue   31 ILE
Chi-restraints excluded: chain I residue   34 VAL
Chi-restraints excluded: chain I residue   38 ASN
Chi-restraints excluded: chain I residue  131 MET
Chi-restraints excluded: chain I residue  160 VAL
Chi-restraints excluded: chain I residue  178 VAL
Chi-restraints excluded: chain I residue  192 LEU
Chi-restraints excluded: chain J residue   31 ILE
Chi-restraints excluded: chain J residue   74 LEU
Chi-restraints excluded: chain J residue   77 LEU
Chi-restraints excluded: chain J residue  145 THR
Chi-restraints excluded: chain J residue  170 VAL
Chi-restraints excluded: chain J residue  188 LYS
Chi-restraints excluded: chain K residue   34 VAL
Chi-restraints excluded: chain K residue   38 ASN
Chi-restraints excluded: chain K residue   99 VAL
Chi-restraints excluded: chain K residue  110 HIS
Chi-restraints excluded: chain K residue  115 ILE
Chi-restraints excluded: chain K residue  127 MET
Chi-restraints excluded: chain K residue  196 VAL
Chi-restraints excluded: chain L residue   24 GLU
Chi-restraints excluded: chain L residue  136 LEU
Chi-restraints excluded: chain L residue  146 ILE
Chi-restraints excluded: chain L residue  178 VAL
Chi-restraints excluded: chain L residue  181 ASP
Chi-restraints excluded: chain L residue  192 LEU
Chi-restraints excluded: chain M residue   34 VAL
Chi-restraints excluded: chain M residue   74 LEU
Chi-restraints excluded: chain M residue  111 LEU
Chi-restraints excluded: chain M residue  136 LEU
Chi-restraints excluded: chain M residue  181 ASP
Chi-restraints excluded: chain M residue  185 GLU
Chi-restraints excluded: chain M residue  196 VAL
Chi-restraints excluded: chain N residue   61 THR
Chi-restraints excluded: chain N residue   89 VAL
Chi-restraints excluded: chain N residue  111 LEU
Chi-restraints excluded: chain N residue  154 VAL
Chi-restraints excluded: chain N residue  179 ASN
Chi-restraints excluded: chain O residue  111 LEU
Chi-restraints excluded: chain O residue  154 VAL
Chi-restraints excluded: chain O residue  194 VAL
Chi-restraints excluded: chain O residue  196 VAL
Chi-restraints excluded: chain P residue   31 ILE
Chi-restraints excluded: chain P residue   83 ILE
Chi-restraints excluded: chain P residue  105 PHE
Chi-restraints excluded: chain P residue  145 THR
Chi-restraints excluded: chain P residue  216 VAL
Chi-restraints excluded: chain Q residue   31 ILE
Chi-restraints excluded: chain Q residue   32 VAL
Chi-restraints excluded: chain Q residue   74 LEU
Chi-restraints excluded: chain Q residue   84 ILE
Chi-restraints excluded: chain Q residue  110 HIS
Chi-restraints excluded: chain R residue   34 VAL
Chi-restraints excluded: chain R residue  142 LEU
Chi-restraints excluded: chain R residue  181 ASP
Chi-restraints excluded: chain R residue  215 PHE
Chi-restraints excluded: chain S residue   31 ILE
Chi-restraints excluded: chain S residue   35 LEU
Chi-restraints excluded: chain S residue  131 MET
Chi-restraints excluded: chain S residue  160 VAL
Chi-restraints excluded: chain S residue  178 VAL
Chi-restraints excluded: chain S residue  192 LEU
Chi-restraints excluded: chain T residue   31 ILE
Chi-restraints excluded: chain T residue   38 ASN
Chi-restraints excluded: chain T residue   74 LEU
Chi-restraints excluded: chain T residue  145 THR
Chi-restraints excluded: chain U residue   24 GLU
Chi-restraints excluded: chain U residue  136 LEU
Chi-restraints excluded: chain U residue  146 ILE
Chi-restraints excluded: chain U residue  178 VAL
Chi-restraints excluded: chain U residue  181 ASP
Chi-restraints excluded: chain U residue  192 LEU
Chi-restraints excluded: chain V residue   34 VAL
Chi-restraints excluded: chain V residue   74 LEU
Chi-restraints excluded: chain V residue  111 LEU
Chi-restraints excluded: chain V residue  136 LEU
Chi-restraints excluded: chain V residue  181 ASP
Chi-restraints excluded: chain V residue  185 GLU
Chi-restraints excluded: chain V residue  196 VAL
Chi-restraints excluded: chain W residue   61 THR
Chi-restraints excluded: chain W residue   89 VAL
Chi-restraints excluded: chain W residue  111 LEU
Chi-restraints excluded: chain W residue  154 VAL
Chi-restraints excluded: chain W residue  179 ASN
Chi-restraints excluded: chain X residue  111 LEU
Chi-restraints excluded: chain X residue  154 VAL
Chi-restraints excluded: chain X residue  194 VAL
Chi-restraints excluded: chain X residue  196 VAL
Chi-restraints excluded: chain Y residue   34 VAL
Chi-restraints excluded: chain Y residue   38 ASN
Chi-restraints excluded: chain Y residue   99 VAL
Chi-restraints excluded: chain Y residue  110 HIS
Chi-restraints excluded: chain Y residue  115 ILE
Chi-restraints excluded: chain Y residue  127 MET
Chi-restraints excluded: chain Y residue  196 VAL
Chi-restraints excluded: chain Z residue   22 MET
Chi-restraints excluded: chain Z residue   32 VAL
Chi-restraints excluded: chain Z residue   34 VAL
Chi-restraints excluded: chain Z residue  111 LEU
Chi-restraints excluded: chain Z residue  124 VAL
Chi-restraints excluded: chain Z residue  181 ASP
Chi-restraints excluded: chain Z residue  206 VAL
Chi-restraints excluded: chain 0 residue   22 MET
Chi-restraints excluded: chain 0 residue   24 GLU
Chi-restraints excluded: chain 0 residue   34 VAL
Chi-restraints excluded: chain 0 residue   52 LEU
Chi-restraints excluded: chain 0 residue   92 VAL
Chi-restraints excluded: chain 0 residue  154 VAL
Chi-restraints excluded: chain 0 residue  180 LEU
Chi-restraints excluded: chain 1 residue   31 ILE
Chi-restraints excluded: chain 1 residue   34 VAL
Chi-restraints excluded: chain 1 residue   38 ASN
Chi-restraints excluded: chain 1 residue  131 MET
Chi-restraints excluded: chain 1 residue  160 VAL
Chi-restraints excluded: chain 1 residue  178 VAL
Chi-restraints excluded: chain 1 residue  192 LEU
Chi-restraints excluded: chain 2 residue   31 ILE
Chi-restraints excluded: chain 2 residue   74 LEU
Chi-restraints excluded: chain 2 residue   77 LEU
Chi-restraints excluded: chain 2 residue  145 THR
Chi-restraints excluded: chain 2 residue  170 VAL
Chi-restraints excluded: chain 2 residue  188 LYS
Chi-restraints excluded: chain 3 residue   35 LEU
Chi-restraints excluded: chain 3 residue   74 LEU
Chi-restraints excluded: chain 3 residue  124 VAL
Chi-restraints excluded: chain 3 residue  145 THR
Chi-restraints excluded: chain 3 residue  161 LYS
Chi-restraints excluded: chain 3 residue  179 ASN
Chi-restraints excluded: chain 3 residue  204 THR
Chi-restraints excluded: chain 4 residue  111 LEU
Chi-restraints excluded: chain 4 residue  154 VAL
Chi-restraints excluded: chain 4 residue  194 VAL
Chi-restraints excluded: chain 4 residue  196 VAL
Chi-restraints excluded: chain 5 residue   34 VAL
Chi-restraints excluded: chain 5 residue   38 ASN
Chi-restraints excluded: chain 5 residue   99 VAL
Chi-restraints excluded: chain 5 residue  110 HIS
Chi-restraints excluded: chain 5 residue  115 ILE
Chi-restraints excluded: chain 5 residue  196 VAL
Chi-restraints excluded: chain 6 residue   24 GLU
Chi-restraints excluded: chain 6 residue  136 LEU
Chi-restraints excluded: chain 6 residue  146 ILE
Chi-restraints excluded: chain 6 residue  178 VAL
Chi-restraints excluded: chain 6 residue  181 ASP
Chi-restraints excluded: chain 6 residue  192 LEU
Chi-restraints excluded: chain 7 residue   34 VAL
Chi-restraints excluded: chain 7 residue   74 LEU
Chi-restraints excluded: chain 7 residue  111 LEU
Chi-restraints excluded: chain 7 residue  136 LEU
Chi-restraints excluded: chain 7 residue  181 ASP
Chi-restraints excluded: chain 7 residue  185 GLU
Chi-restraints excluded: chain 7 residue  196 VAL
Chi-restraints excluded: chain 8 residue   61 THR
Chi-restraints excluded: chain 8 residue   89 VAL
Chi-restraints excluded: chain 8 residue  111 LEU
Chi-restraints excluded: chain 8 residue  154 VAL
Chi-restraints excluded: chain 8 residue  179 ASN
Chi-restraints excluded: chain 9 residue   31 ILE
Chi-restraints excluded: chain 9 residue   74 LEU
Chi-restraints excluded: chain 9 residue   77 LEU
Chi-restraints excluded: chain 9 residue  145 THR
Chi-restraints excluded: chain 9 residue  170 VAL
Chi-restraints excluded: chain 9 residue  188 LYS
Chi-restraints excluded: chain a residue   35 LEU
Chi-restraints excluded: chain a residue   74 LEU
Chi-restraints excluded: chain a residue  124 VAL
Chi-restraints excluded: chain a residue  145 THR
Chi-restraints excluded: chain a residue  161 LYS
Chi-restraints excluded: chain a residue  179 ASN
Chi-restraints excluded: chain a residue  204 THR
Chi-restraints excluded: chain b residue   22 MET
Chi-restraints excluded: chain b residue   32 VAL
Chi-restraints excluded: chain b residue   34 VAL
Chi-restraints excluded: chain b residue  111 LEU
Chi-restraints excluded: chain b residue  124 VAL
Chi-restraints excluded: chain b residue  181 ASP
Chi-restraints excluded: chain b residue  206 VAL
Chi-restraints excluded: chain c residue   22 MET
Chi-restraints excluded: chain c residue   24 GLU
Chi-restraints excluded: chain c residue   34 VAL
Chi-restraints excluded: chain c residue   52 LEU
Chi-restraints excluded: chain c residue   92 VAL
Chi-restraints excluded: chain c residue  154 VAL
Chi-restraints excluded: chain c residue  180 LEU
Chi-restraints excluded: chain d residue   31 ILE
Chi-restraints excluded: chain d residue   34 VAL
Chi-restraints excluded: chain d residue   38 ASN
Chi-restraints excluded: chain d residue  131 MET
Chi-restraints excluded: chain d residue  160 VAL
Chi-restraints excluded: chain d residue  178 VAL
Chi-restraints excluded: chain d residue  192 LEU
Chi-restraints excluded: chain e residue  154 VAL
Chi-restraints excluded: chain e residue  179 ASN
Chi-restraints excluded: chain e residue  185 GLU
Chi-restraints excluded: chain f residue   89 VAL
Chi-restraints excluded: chain f residue  137 VAL
Chi-restraints excluded: chain f residue  154 VAL
Chi-restraints excluded: chain f residue  179 ASN
Chi-restraints excluded: chain f residue  181 ASP
Chi-restraints excluded: chain f residue  194 VAL
Chi-restraints excluded: chain f residue  196 VAL
Chi-restraints excluded: chain f residue  219 ILE
Chi-restraints excluded: chain g residue   34 VAL
Chi-restraints excluded: chain g residue  111 LEU
Chi-restraints excluded: chain g residue  154 VAL
Chi-restraints excluded: chain g residue  170 VAL
Chi-restraints excluded: chain g residue  179 ASN
Chi-restraints excluded: chain g residue  194 VAL
Chi-restraints excluded: chain g residue  219 ILE
Chi-restraints excluded: chain h residue   24 GLU
Chi-restraints excluded: chain h residue   34 VAL
Chi-restraints excluded: chain h residue   61 THR
Chi-restraints excluded: chain h residue   74 LEU
Chi-restraints excluded: chain h residue   99 VAL
Chi-restraints excluded: chain h residue  111 LEU
Chi-restraints excluded: chain h residue  115 ILE
Chi-restraints excluded: chain h residue  170 VAL
Chi-restraints excluded: chain h residue  179 ASN
Chi-restraints excluded: chain i residue   31 ILE
Chi-restraints excluded: chain i residue   99 VAL
Chi-restraints excluded: chain i residue  111 LEU
Chi-restraints excluded: chain i residue  146 ILE
Chi-restraints excluded: chain i residue  160 VAL
Chi-restraints excluded: chain i residue  179 ASN
Chi-restraints excluded: chain i residue  181 ASP
Chi-restraints excluded: chain i residue  196 VAL
Chi-restraints excluded: chain j residue   89 VAL
Chi-restraints excluded: chain j residue  137 VAL
Chi-restraints excluded: chain j residue  154 VAL
Chi-restraints excluded: chain j residue  173 VAL
Chi-restraints excluded: chain j residue  179 ASN
Chi-restraints excluded: chain j residue  181 ASP
Chi-restraints excluded: chain j residue  194 VAL
Chi-restraints excluded: chain j residue  196 VAL
Chi-restraints excluded: chain j residue  219 ILE
Chi-restraints excluded: chain k residue   34 VAL
Chi-restraints excluded: chain k residue  111 LEU
Chi-restraints excluded: chain k residue  154 VAL
Chi-restraints excluded: chain k residue  170 VAL
Chi-restraints excluded: chain k residue  179 ASN
Chi-restraints excluded: chain k residue  194 VAL
Chi-restraints excluded: chain k residue  219 ILE
Chi-restraints excluded: chain l residue   24 GLU
Chi-restraints excluded: chain l residue   34 VAL
Chi-restraints excluded: chain l residue   61 THR
Chi-restraints excluded: chain l residue   74 LEU
Chi-restraints excluded: chain l residue   99 VAL
Chi-restraints excluded: chain l residue  111 LEU
Chi-restraints excluded: chain l residue  115 ILE
Chi-restraints excluded: chain l residue  170 VAL
Chi-restraints excluded: chain l residue  179 ASN
Chi-restraints excluded: chain m residue   31 ILE
Chi-restraints excluded: chain m residue   99 VAL
Chi-restraints excluded: chain m residue  111 LEU
Chi-restraints excluded: chain m residue  146 ILE
Chi-restraints excluded: chain m residue  160 VAL
Chi-restraints excluded: chain m residue  179 ASN
Chi-restraints excluded: chain m residue  181 ASP
Chi-restraints excluded: chain m residue  196 VAL
Chi-restraints excluded: chain n residue  154 VAL
Chi-restraints excluded: chain n residue  179 ASN
Chi-restraints excluded: chain n residue  185 GLU
Chi-restraints excluded: chain o residue   34 VAL
Chi-restraints excluded: chain o residue  142 LEU
Chi-restraints excluded: chain o residue  181 ASP
Chi-restraints excluded: chain o residue  215 PHE
Chi-restraints excluded: chain p residue   31 ILE
Chi-restraints excluded: chain p residue   35 LEU
Chi-restraints excluded: chain p residue  131 MET
Chi-restraints excluded: chain p residue  160 VAL
Chi-restraints excluded: chain p residue  178 VAL
Chi-restraints excluded: chain p residue  192 LEU
Chi-restraints excluded: chain q residue   31 ILE
Chi-restraints excluded: chain q residue   38 ASN
Chi-restraints excluded: chain q residue   74 LEU
Chi-restraints excluded: chain q residue  145 THR
Chi-restraints excluded: chain r residue   31 ILE
Chi-restraints excluded: chain r residue   83 ILE
Chi-restraints excluded: chain r residue  105 PHE
Chi-restraints excluded: chain r residue  145 THR
Chi-restraints excluded: chain r residue  216 VAL
Chi-restraints excluded: chain s residue   31 ILE
Chi-restraints excluded: chain s residue   32 VAL
Chi-restraints excluded: chain s residue   74 LEU
Chi-restraints excluded: chain s residue   84 ILE
Chi-restraints excluded: chain s residue  110 HIS
Chi-restraints excluded: chain t residue   31 ILE
Chi-restraints excluded: chain t residue   35 LEU
Chi-restraints excluded: chain t residue  131 MET
Chi-restraints excluded: chain t residue  160 VAL
Chi-restraints excluded: chain t residue  178 VAL
Chi-restraints excluded: chain t residue  192 LEU
Chi-restraints excluded: chain u residue   31 ILE
Chi-restraints excluded: chain u residue   38 ASN
Chi-restraints excluded: chain u residue   74 LEU
Chi-restraints excluded: chain u residue  145 THR
Chi-restraints excluded: chain v residue   31 ILE
Chi-restraints excluded: chain v residue   83 ILE
Chi-restraints excluded: chain v residue  105 PHE
Chi-restraints excluded: chain v residue  145 THR
Chi-restraints excluded: chain v residue  216 VAL
Chi-restraints excluded: chain w residue   31 ILE
Chi-restraints excluded: chain w residue   32 VAL
Chi-restraints excluded: chain w residue   74 LEU
Chi-restraints excluded: chain w residue   84 ILE
Chi-restraints excluded: chain w residue  110 HIS
Chi-restraints excluded: chain x residue   34 VAL
Chi-restraints excluded: chain x residue  142 LEU
Chi-restraints excluded: chain x residue  181 ASP
Chi-restraints excluded: chain x residue  215 PHE
Rotamers are restrained with sigma=4.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 1200
   random chunks:
   chunk 1078 optimal weight:    2.9990
   chunk 820 optimal weight:    7.9990
   chunk 566 optimal weight:    0.0060
   chunk 120 optimal weight:    7.9990
   chunk 521 optimal weight:    6.9990
   chunk 733 optimal weight:    3.9990
   chunk 1095 optimal weight:    3.9990
   chunk 1159 optimal weight:    0.6980
   chunk 572 optimal weight:    3.9990
   chunk 1038 optimal weight:    1.9990
   chunk 312 optimal weight:    1.9990
   overall best weight:    1.5402

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

Flipped N/Q/H residues before XYZ refinement:
** G 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
J  56 HIS
** O 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** X 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** Z 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
2  56 HIS
** 4 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
9  56 HIS
** b 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** o 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** x 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 3

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7442
moved from start:          0.7029

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.077  92820  Z= 0.274
  Angle     :  0.631  10.771 125160  Z= 0.324
  Chirality :  0.049   0.232  14700
  Planarity :  0.005   0.050  15720
  Dihedral  :  4.961  54.343  12246
  Min Nonbonded Distance : 2.105

Molprobity Statistics.
  All-atom Clashscore : 13.11
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  4.05 %
    Favored  : 95.95 %
  Rotamer:
    Outliers :  7.38 %
    Allowed  : 27.72 %
    Favored  : 64.90 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 10.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.03 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -0.64 (0.08), residues: 11940
  helix:  1.03 (0.07), residues: 6060
  sheet: -2.02 (0.11), residues: 2100
  loop : -1.77 (0.10), residues: 3780

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.013   0.002   TRP b 186 
 HIS   0.014   0.002   HIS a 110 
 PHE   0.042   0.002   PHE G 105 
 TYR   0.017   0.002   TYR v 126 
 ARG   0.008   0.001   ARG 6  96 

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

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

  23880 Ramachandran restraints generated.
    11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  23880 Ramachandran restraints generated.
    11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  2281 residues out of total 9840 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 726
    poor density    : 1555
  time to evaluate  : 8.276 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A   22 MET cc_start: 0.8116 (mmt) cc_final: 0.7871 (mpp)
REVERT: A   24 GLU cc_start: 0.5268 (OUTLIER) cc_final: 0.4910 (pm20)
REVERT: A   80 MET cc_start: 0.7743 (mtp) cc_final: 0.7434 (mtp)
REVERT: B  120 LYS cc_start: 0.7329 (mttm) cc_final: 0.6984 (ttpp)
REVERT: C   22 MET cc_start: 0.8174 (mmm) cc_final: 0.7528 (mpp)
REVERT: C   24 GLU cc_start: 0.5524 (OUTLIER) cc_final: 0.5241 (pm20)
REVERT: C   59 GLU cc_start: 0.6748 (tt0) cc_final: 0.6527 (tt0)
REVERT: C   96 ARG cc_start: 0.7078 (ttp80) cc_final: 0.6797 (ttm170)
REVERT: C  113 GLU cc_start: 0.7235 (mp0) cc_final: 0.6782 (tp30)
REVERT: C  188 LYS cc_start: 0.8637 (ttpt) cc_final: 0.8355 (mttp)
REVERT: D   59 GLU cc_start: 0.6592 (tt0) cc_final: 0.6297 (tt0)
REVERT: D  110 HIS cc_start: 0.8168 (t-90) cc_final: 0.7902 (t70)
REVERT: D  188 LYS cc_start: 0.8204 (ttmt) cc_final: 0.7870 (ttmt)
REVERT: E   59 GLU cc_start: 0.7315 (tt0) cc_final: 0.7104 (tt0)
REVERT: E  186 TRP cc_start: 0.7541 (m100) cc_final: 0.7042 (m100)
REVERT: E  215 PHE cc_start: 0.7481 (OUTLIER) cc_final: 0.6262 (t80)
REVERT: F   57 LEU cc_start: 0.7845 (OUTLIER) cc_final: 0.7471 (mt)
REVERT: F   58 ILE cc_start: 0.8114 (OUTLIER) cc_final: 0.7839 (mt)
REVERT: F  161 LYS cc_start: 0.8493 (OUTLIER) cc_final: 0.8142 (ttpt)
REVERT: H   22 MET cc_start: 0.7434 (OUTLIER) cc_final: 0.7101 (mmt)
REVERT: H   24 GLU cc_start: 0.5284 (OUTLIER) cc_final: 0.4530 (pm20)
REVERT: H   36 ARG cc_start: 0.7879 (mtt-85) cc_final: 0.7564 (mtt-85)
REVERT: H  220 ARG cc_start: 0.7529 (tmm-80) cc_final: 0.7087 (mtm110)
REVERT: I   59 GLU cc_start: 0.7505 (tt0) cc_final: 0.7272 (tt0)
REVERT: I  131 MET cc_start: 0.6470 (OUTLIER) cc_final: 0.6004 (mmm)
REVERT: J  120 LYS cc_start: 0.7678 (mttm) cc_final: 0.7082 (ttpp)
REVERT: J  220 ARG cc_start: 0.7029 (mtm110) cc_final: 0.6626 (mmt90)
REVERT: K   96 ARG cc_start: 0.7655 (tmm-80) cc_final: 0.7015 (tpp80)
REVERT: L  120 LYS cc_start: 0.7631 (mttm) cc_final: 0.6857 (ttpp)
REVERT: M  120 LYS cc_start: 0.7524 (pttt) cc_final: 0.7322 (ttpp)
REVERT: M  220 ARG cc_start: 0.6711 (mtm110) cc_final: 0.6433 (mmt90)
REVERT: N   59 GLU cc_start: 0.6849 (tt0) cc_final: 0.6431 (tt0)
REVERT: N  207 GLU cc_start: 0.8093 (tp30) cc_final: 0.7838 (tt0)
REVERT: O   25 LEU cc_start: 0.7728 (OUTLIER) cc_final: 0.7512 (mt)
REVERT: O  111 LEU cc_start: 0.7930 (OUTLIER) cc_final: 0.7563 (mt)
REVERT: P   52 LEU cc_start: 0.8215 (mp) cc_final: 0.7974 (mp)
REVERT: Q  215 PHE cc_start: 0.7876 (OUTLIER) cc_final: 0.6909 (t80)
REVERT: S  142 LEU cc_start: 0.7763 (OUTLIER) cc_final: 0.7312 (tt)
REVERT: S  207 GLU cc_start: 0.7987 (mm-30) cc_final: 0.7489 (mm-30)
REVERT: T   59 GLU cc_start: 0.7226 (tt0) cc_final: 0.7004 (tt0)
REVERT: U  120 LYS cc_start: 0.7631 (mttm) cc_final: 0.6857 (ttpp)
REVERT: V  120 LYS cc_start: 0.7524 (pttt) cc_final: 0.7322 (ttpp)
REVERT: V  220 ARG cc_start: 0.6711 (mtm110) cc_final: 0.6432 (mmt90)
REVERT: W   59 GLU cc_start: 0.6850 (tt0) cc_final: 0.6434 (tt0)
REVERT: W  207 GLU cc_start: 0.8093 (tp30) cc_final: 0.7838 (tt0)
REVERT: X   25 LEU cc_start: 0.7729 (OUTLIER) cc_final: 0.7525 (mt)
REVERT: X  111 LEU cc_start: 0.7930 (OUTLIER) cc_final: 0.7562 (mt)
REVERT: Y   96 ARG cc_start: 0.7655 (tmm-80) cc_final: 0.7015 (tpp80)
REVERT: 0   22 MET cc_start: 0.7438 (OUTLIER) cc_final: 0.7087 (mmt)
REVERT: 0   24 GLU cc_start: 0.5287 (OUTLIER) cc_final: 0.4526 (pm20)
REVERT: 0   36 ARG cc_start: 0.7853 (mtt-85) cc_final: 0.7541 (mtt-85)
REVERT: 0  220 ARG cc_start: 0.7529 (tmm-80) cc_final: 0.7088 (mtm110)
REVERT: 1   59 GLU cc_start: 0.7505 (tt0) cc_final: 0.7273 (tt0)
REVERT: 1  131 MET cc_start: 0.6470 (OUTLIER) cc_final: 0.6003 (mmm)
REVERT: 2  120 LYS cc_start: 0.7680 (mttm) cc_final: 0.7082 (ttpp)
REVERT: 2  220 ARG cc_start: 0.7030 (mtm110) cc_final: 0.6627 (mmt90)
REVERT: 3   57 LEU cc_start: 0.7844 (OUTLIER) cc_final: 0.7472 (mt)
REVERT: 3   58 ILE cc_start: 0.8112 (OUTLIER) cc_final: 0.7836 (mt)
REVERT: 3  161 LYS cc_start: 0.8493 (OUTLIER) cc_final: 0.8142 (ttpt)
REVERT: 4  111 LEU cc_start: 0.7931 (OUTLIER) cc_final: 0.7568 (mt)
REVERT: 5   96 ARG cc_start: 0.7656 (tmm-80) cc_final: 0.7017 (tpp80)
REVERT: 6  120 LYS cc_start: 0.7631 (mttm) cc_final: 0.6857 (ttpp)
REVERT: 7  120 LYS cc_start: 0.7524 (pttt) cc_final: 0.7322 (ttpp)
REVERT: 7  220 ARG cc_start: 0.6710 (mtm110) cc_final: 0.6432 (mmt90)
REVERT: 8  207 GLU cc_start: 0.8094 (tp30) cc_final: 0.7837 (tt0)
REVERT: 9  120 LYS cc_start: 0.7680 (mttm) cc_final: 0.7081 (ttpp)
REVERT: 9  220 ARG cc_start: 0.7030 (mtm110) cc_final: 0.6626 (mmt90)
REVERT: a   57 LEU cc_start: 0.7844 (OUTLIER) cc_final: 0.7470 (mt)
REVERT: a   58 ILE cc_start: 0.8114 (OUTLIER) cc_final: 0.7839 (mt)
REVERT: a  161 LYS cc_start: 0.8493 (OUTLIER) cc_final: 0.8141 (ttpt)
REVERT: c   22 MET cc_start: 0.7433 (OUTLIER) cc_final: 0.7100 (mmt)
REVERT: c   24 GLU cc_start: 0.5285 (OUTLIER) cc_final: 0.4530 (pm20)
REVERT: c   36 ARG cc_start: 0.7879 (mtt-85) cc_final: 0.7564 (mtt-85)
REVERT: c  220 ARG cc_start: 0.7529 (tmm-80) cc_final: 0.7088 (mtm110)
REVERT: d   59 GLU cc_start: 0.7504 (tt0) cc_final: 0.7279 (tt0)
REVERT: d  131 MET cc_start: 0.6470 (OUTLIER) cc_final: 0.6005 (mmm)
REVERT: e   22 MET cc_start: 0.8174 (mmm) cc_final: 0.7529 (mpp)
REVERT: e   24 GLU cc_start: 0.5521 (OUTLIER) cc_final: 0.5239 (pm20)
REVERT: e   59 GLU cc_start: 0.6748 (tt0) cc_final: 0.6527 (tt0)
REVERT: e   96 ARG cc_start: 0.7078 (ttp80) cc_final: 0.6799 (ttm170)
REVERT: e  113 GLU cc_start: 0.7235 (mp0) cc_final: 0.6784 (tp30)
REVERT: e  188 LYS cc_start: 0.8631 (ttpt) cc_final: 0.8350 (mttp)
REVERT: f   59 GLU cc_start: 0.6592 (tt0) cc_final: 0.6298 (tt0)
REVERT: f  110 HIS cc_start: 0.8167 (t-90) cc_final: 0.7902 (t70)
REVERT: f  188 LYS cc_start: 0.8204 (ttmt) cc_final: 0.7871 (ttmt)
REVERT: g   59 GLU cc_start: 0.7315 (tt0) cc_final: 0.7104 (tt0)
REVERT: g  186 TRP cc_start: 0.7540 (m100) cc_final: 0.7042 (m100)
REVERT: g  215 PHE cc_start: 0.7481 (OUTLIER) cc_final: 0.6261 (t80)
REVERT: h   22 MET cc_start: 0.8115 (mmt) cc_final: 0.7870 (mpp)
REVERT: h   24 GLU cc_start: 0.5268 (OUTLIER) cc_final: 0.4912 (pm20)
REVERT: h   80 MET cc_start: 0.7743 (mtp) cc_final: 0.7433 (mtp)
REVERT: i  120 LYS cc_start: 0.7329 (mttm) cc_final: 0.6983 (ttpp)
REVERT: j   59 GLU cc_start: 0.6602 (tt0) cc_final: 0.6279 (tt0)
REVERT: j  110 HIS cc_start: 0.8174 (t-90) cc_final: 0.7903 (t70)
REVERT: j  186 TRP cc_start: 0.7623 (m100) cc_final: 0.7297 (m100)
REVERT: j  188 LYS cc_start: 0.8201 (ttmt) cc_final: 0.7881 (ttmt)
REVERT: k   59 GLU cc_start: 0.7315 (tt0) cc_final: 0.7104 (tt0)
REVERT: k  186 TRP cc_start: 0.7540 (m100) cc_final: 0.7041 (m100)
REVERT: k  215 PHE cc_start: 0.7481 (OUTLIER) cc_final: 0.6260 (t80)
REVERT: l   22 MET cc_start: 0.8116 (mmt) cc_final: 0.7870 (mpp)
REVERT: l   24 GLU cc_start: 0.5269 (OUTLIER) cc_final: 0.4912 (pm20)
REVERT: l   80 MET cc_start: 0.7743 (mtp) cc_final: 0.7434 (mtp)
REVERT: m  120 LYS cc_start: 0.7329 (mttm) cc_final: 0.6983 (ttpp)
REVERT: n   22 MET cc_start: 0.8174 (mmm) cc_final: 0.7530 (mpp)
REVERT: n   24 GLU cc_start: 0.5521 (OUTLIER) cc_final: 0.5239 (pm20)
REVERT: n   59 GLU cc_start: 0.6747 (tt0) cc_final: 0.6528 (tt0)
REVERT: n   96 ARG cc_start: 0.7078 (ttp80) cc_final: 0.6798 (ttm170)
REVERT: n  113 GLU cc_start: 0.7235 (mp0) cc_final: 0.6783 (tp30)
REVERT: n  188 LYS cc_start: 0.8637 (ttpt) cc_final: 0.8355 (mttp)
REVERT: p  142 LEU cc_start: 0.7763 (OUTLIER) cc_final: 0.7313 (tt)
REVERT: p  207 GLU cc_start: 0.7987 (mm-30) cc_final: 0.7489 (mm-30)
REVERT: q   59 GLU cc_start: 0.7226 (tt0) cc_final: 0.7004 (tt0)
REVERT: s  215 PHE cc_start: 0.7876 (OUTLIER) cc_final: 0.6910 (t80)
REVERT: t  142 LEU cc_start: 0.7762 (OUTLIER) cc_final: 0.7312 (tt)
REVERT: t  207 GLU cc_start: 0.7987 (mm-30) cc_final: 0.7489 (mm-30)
REVERT: u   59 GLU cc_start: 0.7227 (tt0) cc_final: 0.7005 (tt0)
REVERT: w  215 PHE cc_start: 0.7876 (OUTLIER) cc_final: 0.6910 (t80)
  outliers start: 726
  outliers final: 419
  residues processed: 2093
  average time/residue: 0.7805
  time to fit residues: 2896.8698
Evaluate side-chains
  1859 residues out of total 9840 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 457
    poor density    : 1402
  time to evaluate  : 7.859 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   24 GLU
Chi-restraints excluded: chain A residue   34 VAL
Chi-restraints excluded: chain A residue   61 THR
Chi-restraints excluded: chain A residue   92 VAL
Chi-restraints excluded: chain A residue   99 VAL
Chi-restraints excluded: chain A residue  111 LEU
Chi-restraints excluded: chain A residue  115 ILE
Chi-restraints excluded: chain A residue  132 THR
Chi-restraints excluded: chain A residue  173 VAL
Chi-restraints excluded: chain A residue  179 ASN
Chi-restraints excluded: chain A residue  196 VAL
Chi-restraints excluded: chain A residue  219 ILE
Chi-restraints excluded: chain B residue   24 GLU
Chi-restraints excluded: chain B residue   31 ILE
Chi-restraints excluded: chain B residue   99 VAL
Chi-restraints excluded: chain B residue  160 VAL
Chi-restraints excluded: chain B residue  179 ASN
Chi-restraints excluded: chain B residue  181 ASP
Chi-restraints excluded: chain B residue  196 VAL
Chi-restraints excluded: chain C residue   24 GLU
Chi-restraints excluded: chain C residue   69 THR
Chi-restraints excluded: chain C residue  111 LEU
Chi-restraints excluded: chain C residue  154 VAL
Chi-restraints excluded: chain C residue  179 ASN
Chi-restraints excluded: chain C residue  181 ASP
Chi-restraints excluded: chain C residue  194 VAL
Chi-restraints excluded: chain C residue  219 ILE
Chi-restraints excluded: chain D residue   31 ILE
Chi-restraints excluded: chain D residue   89 VAL
Chi-restraints excluded: chain D residue  154 VAL
Chi-restraints excluded: chain D residue  181 ASP
Chi-restraints excluded: chain D residue  194 VAL
Chi-restraints excluded: chain D residue  196 VAL
Chi-restraints excluded: chain D residue  216 VAL
Chi-restraints excluded: chain D residue  219 ILE
Chi-restraints excluded: chain E residue   34 VAL
Chi-restraints excluded: chain E residue   92 VAL
Chi-restraints excluded: chain E residue  154 VAL
Chi-restraints excluded: chain E residue  170 VAL
Chi-restraints excluded: chain E residue  179 ASN
Chi-restraints excluded: chain E residue  194 VAL
Chi-restraints excluded: chain E residue  215 PHE
Chi-restraints excluded: chain E residue  216 VAL
Chi-restraints excluded: chain E residue  219 ILE
Chi-restraints excluded: chain F residue   57 LEU
Chi-restraints excluded: chain F residue   58 ILE
Chi-restraints excluded: chain F residue   61 THR
Chi-restraints excluded: chain F residue   74 LEU
Chi-restraints excluded: chain F residue  124 VAL
Chi-restraints excluded: chain F residue  145 THR
Chi-restraints excluded: chain F residue  161 LYS
Chi-restraints excluded: chain F residue  178 VAL
Chi-restraints excluded: chain F residue  216 VAL
Chi-restraints excluded: chain F residue  222 CYS
Chi-restraints excluded: chain G residue   24 GLU
Chi-restraints excluded: chain G residue   34 VAL
Chi-restraints excluded: chain G residue  111 LEU
Chi-restraints excluded: chain G residue  124 VAL
Chi-restraints excluded: chain G residue  181 ASP
Chi-restraints excluded: chain G residue  206 VAL
Chi-restraints excluded: chain G residue  216 VAL
Chi-restraints excluded: chain H residue   22 MET
Chi-restraints excluded: chain H residue   24 GLU
Chi-restraints excluded: chain H residue   34 VAL
Chi-restraints excluded: chain H residue   92 VAL
Chi-restraints excluded: chain H residue  101 SER
Chi-restraints excluded: chain H residue  110 HIS
Chi-restraints excluded: chain H residue  154 VAL
Chi-restraints excluded: chain H residue  215 PHE
Chi-restraints excluded: chain I residue   22 MET
Chi-restraints excluded: chain I residue   24 GLU
Chi-restraints excluded: chain I residue   31 ILE
Chi-restraints excluded: chain I residue   34 VAL
Chi-restraints excluded: chain I residue   38 ASN
Chi-restraints excluded: chain I residue  110 HIS
Chi-restraints excluded: chain I residue  127 MET
Chi-restraints excluded: chain I residue  131 MET
Chi-restraints excluded: chain I residue  160 VAL
Chi-restraints excluded: chain I residue  178 VAL
Chi-restraints excluded: chain I residue  192 LEU
Chi-restraints excluded: chain I residue  194 VAL
Chi-restraints excluded: chain I residue  219 ILE
Chi-restraints excluded: chain J residue  124 VAL
Chi-restraints excluded: chain J residue  145 THR
Chi-restraints excluded: chain J residue  170 VAL
Chi-restraints excluded: chain J residue  183 VAL
Chi-restraints excluded: chain K residue   34 VAL
Chi-restraints excluded: chain K residue   38 ASN
Chi-restraints excluded: chain K residue   73 GLU
Chi-restraints excluded: chain K residue   99 VAL
Chi-restraints excluded: chain K residue  110 HIS
Chi-restraints excluded: chain K residue  111 LEU
Chi-restraints excluded: chain K residue  115 ILE
Chi-restraints excluded: chain K residue  127 MET
Chi-restraints excluded: chain K residue  154 VAL
Chi-restraints excluded: chain K residue  196 VAL
Chi-restraints excluded: chain L residue   24 GLU
Chi-restraints excluded: chain L residue   31 ILE
Chi-restraints excluded: chain L residue  124 VAL
Chi-restraints excluded: chain L residue  145 THR
Chi-restraints excluded: chain L residue  178 VAL
Chi-restraints excluded: chain L residue  181 ASP
Chi-restraints excluded: chain L residue  192 LEU
Chi-restraints excluded: chain M residue  124 VAL
Chi-restraints excluded: chain M residue  136 LEU
Chi-restraints excluded: chain M residue  145 THR
Chi-restraints excluded: chain M residue  179 ASN
Chi-restraints excluded: chain M residue  181 ASP
Chi-restraints excluded: chain M residue  185 GLU
Chi-restraints excluded: chain N residue   89 VAL
Chi-restraints excluded: chain N residue  111 LEU
Chi-restraints excluded: chain N residue  124 VAL
Chi-restraints excluded: chain N residue  154 VAL
Chi-restraints excluded: chain N residue  179 ASN
Chi-restraints excluded: chain O residue   25 LEU
Chi-restraints excluded: chain O residue   92 VAL
Chi-restraints excluded: chain O residue  111 LEU
Chi-restraints excluded: chain O residue  154 VAL
Chi-restraints excluded: chain O residue  194 VAL
Chi-restraints excluded: chain O residue  196 VAL
Chi-restraints excluded: chain O residue  216 VAL
Chi-restraints excluded: chain O residue  219 ILE
Chi-restraints excluded: chain P residue   84 ILE
Chi-restraints excluded: chain P residue  110 HIS
Chi-restraints excluded: chain P residue  124 VAL
Chi-restraints excluded: chain P residue  145 THR
Chi-restraints excluded: chain Q residue   25 LEU
Chi-restraints excluded: chain Q residue   34 VAL
Chi-restraints excluded: chain Q residue   62 PHE
Chi-restraints excluded: chain Q residue   74 LEU
Chi-restraints excluded: chain Q residue   84 ILE
Chi-restraints excluded: chain Q residue   90 THR
Chi-restraints excluded: chain Q residue  110 HIS
Chi-restraints excluded: chain Q residue  111 LEU
Chi-restraints excluded: chain Q residue  124 VAL
Chi-restraints excluded: chain Q residue  196 VAL
Chi-restraints excluded: chain Q residue  215 PHE
Chi-restraints excluded: chain Q residue  222 CYS
Chi-restraints excluded: chain R residue   31 ILE
Chi-restraints excluded: chain R residue   62 PHE
Chi-restraints excluded: chain R residue  115 ILE
Chi-restraints excluded: chain R residue  215 PHE
Chi-restraints excluded: chain S residue   31 ILE
Chi-restraints excluded: chain S residue  131 MET
Chi-restraints excluded: chain S residue  142 LEU
Chi-restraints excluded: chain S residue  160 VAL
Chi-restraints excluded: chain S residue  178 VAL
Chi-restraints excluded: chain T residue   25 LEU
Chi-restraints excluded: chain T residue   31 ILE
Chi-restraints excluded: chain T residue   38 ASN
Chi-restraints excluded: chain T residue  111 LEU
Chi-restraints excluded: chain T residue  173 VAL
Chi-restraints excluded: chain U residue   24 GLU
Chi-restraints excluded: chain U residue   31 ILE
Chi-restraints excluded: chain U residue  124 VAL
Chi-restraints excluded: chain U residue  145 THR
Chi-restraints excluded: chain U residue  178 VAL
Chi-restraints excluded: chain U residue  181 ASP
Chi-restraints excluded: chain U residue  192 LEU
Chi-restraints excluded: chain V residue  124 VAL
Chi-restraints excluded: chain V residue  136 LEU
Chi-restraints excluded: chain V residue  145 THR
Chi-restraints excluded: chain V residue  179 ASN
Chi-restraints excluded: chain V residue  181 ASP
Chi-restraints excluded: chain V residue  185 GLU
Chi-restraints excluded: chain W residue   89 VAL
Chi-restraints excluded: chain W residue  111 LEU
Chi-restraints excluded: chain W residue  124 VAL
Chi-restraints excluded: chain W residue  154 VAL
Chi-restraints excluded: chain W residue  179 ASN
Chi-restraints excluded: chain X residue   25 LEU
Chi-restraints excluded: chain X residue   92 VAL
Chi-restraints excluded: chain X residue  111 LEU
Chi-restraints excluded: chain X residue  154 VAL
Chi-restraints excluded: chain X residue  194 VAL
Chi-restraints excluded: chain X residue  196 VAL
Chi-restraints excluded: chain X residue  216 VAL
Chi-restraints excluded: chain X residue  219 ILE
Chi-restraints excluded: chain Y residue   34 VAL
Chi-restraints excluded: chain Y residue   38 ASN
Chi-restraints excluded: chain Y residue   73 GLU
Chi-restraints excluded: chain Y residue   99 VAL
Chi-restraints excluded: chain Y residue  110 HIS
Chi-restraints excluded: chain Y residue  111 LEU
Chi-restraints excluded: chain Y residue  115 ILE
Chi-restraints excluded: chain Y residue  127 MET
Chi-restraints excluded: chain Y residue  154 VAL
Chi-restraints excluded: chain Y residue  196 VAL
Chi-restraints excluded: chain Z residue   24 GLU
Chi-restraints excluded: chain Z residue   34 VAL
Chi-restraints excluded: chain Z residue  111 LEU
Chi-restraints excluded: chain Z residue  124 VAL
Chi-restraints excluded: chain Z residue  181 ASP
Chi-restraints excluded: chain Z residue  206 VAL
Chi-restraints excluded: chain Z residue  216 VAL
Chi-restraints excluded: chain 0 residue   22 MET
Chi-restraints excluded: chain 0 residue   24 GLU
Chi-restraints excluded: chain 0 residue   34 VAL
Chi-restraints excluded: chain 0 residue   92 VAL
Chi-restraints excluded: chain 0 residue  101 SER
Chi-restraints excluded: chain 0 residue  110 HIS
Chi-restraints excluded: chain 0 residue  154 VAL
Chi-restraints excluded: chain 0 residue  215 PHE
Chi-restraints excluded: chain 1 residue   22 MET
Chi-restraints excluded: chain 1 residue   24 GLU
Chi-restraints excluded: chain 1 residue   31 ILE
Chi-restraints excluded: chain 1 residue   34 VAL
Chi-restraints excluded: chain 1 residue   38 ASN
Chi-restraints excluded: chain 1 residue  110 HIS
Chi-restraints excluded: chain 1 residue  127 MET
Chi-restraints excluded: chain 1 residue  131 MET
Chi-restraints excluded: chain 1 residue  160 VAL
Chi-restraints excluded: chain 1 residue  178 VAL
Chi-restraints excluded: chain 1 residue  192 LEU
Chi-restraints excluded: chain 1 residue  194 VAL
Chi-restraints excluded: chain 1 residue  219 ILE
Chi-restraints excluded: chain 2 residue  124 VAL
Chi-restraints excluded: chain 2 residue  145 THR
Chi-restraints excluded: chain 2 residue  170 VAL
Chi-restraints excluded: chain 2 residue  183 VAL
Chi-restraints excluded: chain 3 residue   57 LEU
Chi-restraints excluded: chain 3 residue   58 ILE
Chi-restraints excluded: chain 3 residue   61 THR
Chi-restraints excluded: chain 3 residue   74 LEU
Chi-restraints excluded: chain 3 residue  124 VAL
Chi-restraints excluded: chain 3 residue  145 THR
Chi-restraints excluded: chain 3 residue  161 LYS
Chi-restraints excluded: chain 3 residue  178 VAL
Chi-restraints excluded: chain 3 residue  216 VAL
Chi-restraints excluded: chain 3 residue  222 CYS
Chi-restraints excluded: chain 4 residue   92 VAL
Chi-restraints excluded: chain 4 residue  111 LEU
Chi-restraints excluded: chain 4 residue  154 VAL
Chi-restraints excluded: chain 4 residue  194 VAL
Chi-restraints excluded: chain 4 residue  196 VAL
Chi-restraints excluded: chain 4 residue  216 VAL
Chi-restraints excluded: chain 4 residue  219 ILE
Chi-restraints excluded: chain 5 residue   34 VAL
Chi-restraints excluded: chain 5 residue   38 ASN
Chi-restraints excluded: chain 5 residue   73 GLU
Chi-restraints excluded: chain 5 residue   99 VAL
Chi-restraints excluded: chain 5 residue  110 HIS
Chi-restraints excluded: chain 5 residue  111 LEU
Chi-restraints excluded: chain 5 residue  115 ILE
Chi-restraints excluded: chain 5 residue  154 VAL
Chi-restraints excluded: chain 5 residue  196 VAL
Chi-restraints excluded: chain 6 residue   24 GLU
Chi-restraints excluded: chain 6 residue   31 ILE
Chi-restraints excluded: chain 6 residue  124 VAL
Chi-restraints excluded: chain 6 residue  145 THR
Chi-restraints excluded: chain 6 residue  178 VAL
Chi-restraints excluded: chain 6 residue  181 ASP
Chi-restraints excluded: chain 6 residue  192 LEU
Chi-restraints excluded: chain 7 residue  124 VAL
Chi-restraints excluded: chain 7 residue  136 LEU
Chi-restraints excluded: chain 7 residue  145 THR
Chi-restraints excluded: chain 7 residue  179 ASN
Chi-restraints excluded: chain 7 residue  181 ASP
Chi-restraints excluded: chain 7 residue  185 GLU
Chi-restraints excluded: chain 8 residue   89 VAL
Chi-restraints excluded: chain 8 residue  111 LEU
Chi-restraints excluded: chain 8 residue  124 VAL
Chi-restraints excluded: chain 8 residue  154 VAL
Chi-restraints excluded: chain 8 residue  179 ASN
Chi-restraints excluded: chain 9 residue  124 VAL
Chi-restraints excluded: chain 9 residue  145 THR
Chi-restraints excluded: chain 9 residue  170 VAL
Chi-restraints excluded: chain 9 residue  183 VAL
Chi-restraints excluded: chain a residue   57 LEU
Chi-restraints excluded: chain a residue   58 ILE
Chi-restraints excluded: chain a residue   61 THR
Chi-restraints excluded: chain a residue   74 LEU
Chi-restraints excluded: chain a residue  124 VAL
Chi-restraints excluded: chain a residue  145 THR
Chi-restraints excluded: chain a residue  161 LYS
Chi-restraints excluded: chain a residue  178 VAL
Chi-restraints excluded: chain a residue  204 THR
Chi-restraints excluded: chain a residue  216 VAL
Chi-restraints excluded: chain a residue  222 CYS
Chi-restraints excluded: chain b residue   24 GLU
Chi-restraints excluded: chain b residue   34 VAL
Chi-restraints excluded: chain b residue  111 LEU
Chi-restraints excluded: chain b residue  124 VAL
Chi-restraints excluded: chain b residue  181 ASP
Chi-restraints excluded: chain b residue  206 VAL
Chi-restraints excluded: chain b residue  216 VAL
Chi-restraints excluded: chain c residue   22 MET
Chi-restraints excluded: chain c residue   24 GLU
Chi-restraints excluded: chain c residue   34 VAL
Chi-restraints excluded: chain c residue   92 VAL
Chi-restraints excluded: chain c residue  101 SER
Chi-restraints excluded: chain c residue  110 HIS
Chi-restraints excluded: chain c residue  154 VAL
Chi-restraints excluded: chain c residue  215 PHE
Chi-restraints excluded: chain d residue   22 MET
Chi-restraints excluded: chain d residue   24 GLU
Chi-restraints excluded: chain d residue   31 ILE
Chi-restraints excluded: chain d residue   34 VAL
Chi-restraints excluded: chain d residue   38 ASN
Chi-restraints excluded: chain d residue  110 HIS
Chi-restraints excluded: chain d residue  127 MET
Chi-restraints excluded: chain d residue  131 MET
Chi-restraints excluded: chain d residue  160 VAL
Chi-restraints excluded: chain d residue  178 VAL
Chi-restraints excluded: chain d residue  192 LEU
Chi-restraints excluded: chain d residue  194 VAL
Chi-restraints excluded: chain d residue  219 ILE
Chi-restraints excluded: chain e residue   24 GLU
Chi-restraints excluded: chain e residue   69 THR
Chi-restraints excluded: chain e residue  111 LEU
Chi-restraints excluded: chain e residue  154 VAL
Chi-restraints excluded: chain e residue  179 ASN
Chi-restraints excluded: chain e residue  181 ASP
Chi-restraints excluded: chain e residue  194 VAL
Chi-restraints excluded: chain e residue  219 ILE
Chi-restraints excluded: chain f residue   31 ILE
Chi-restraints excluded: chain f residue   89 VAL
Chi-restraints excluded: chain f residue  137 VAL
Chi-restraints excluded: chain f residue  154 VAL
Chi-restraints excluded: chain f residue  181 ASP
Chi-restraints excluded: chain f residue  194 VAL
Chi-restraints excluded: chain f residue  196 VAL
Chi-restraints excluded: chain f residue  216 VAL
Chi-restraints excluded: chain f residue  219 ILE
Chi-restraints excluded: chain g residue   34 VAL
Chi-restraints excluded: chain g residue   92 VAL
Chi-restraints excluded: chain g residue  154 VAL
Chi-restraints excluded: chain g residue  170 VAL
Chi-restraints excluded: chain g residue  179 ASN
Chi-restraints excluded: chain g residue  194 VAL
Chi-restraints excluded: chain g residue  215 PHE
Chi-restraints excluded: chain g residue  216 VAL
Chi-restraints excluded: chain g residue  219 ILE
Chi-restraints excluded: chain h residue   24 GLU
Chi-restraints excluded: chain h residue   34 VAL
Chi-restraints excluded: chain h residue   61 THR
Chi-restraints excluded: chain h residue   92 VAL
Chi-restraints excluded: chain h residue   99 VAL
Chi-restraints excluded: chain h residue  111 LEU
Chi-restraints excluded: chain h residue  115 ILE
Chi-restraints excluded: chain h residue  173 VAL
Chi-restraints excluded: chain h residue  179 ASN
Chi-restraints excluded: chain h residue  196 VAL
Chi-restraints excluded: chain h residue  219 ILE
Chi-restraints excluded: chain i residue   24 GLU
Chi-restraints excluded: chain i residue   31 ILE
Chi-restraints excluded: chain i residue   99 VAL
Chi-restraints excluded: chain i residue  160 VAL
Chi-restraints excluded: chain i residue  179 ASN
Chi-restraints excluded: chain i residue  181 ASP
Chi-restraints excluded: chain i residue  196 VAL
Chi-restraints excluded: chain j residue   31 ILE
Chi-restraints excluded: chain j residue   89 VAL
Chi-restraints excluded: chain j residue  137 VAL
Chi-restraints excluded: chain j residue  154 VAL
Chi-restraints excluded: chain j residue  173 VAL
Chi-restraints excluded: chain j residue  181 ASP
Chi-restraints excluded: chain j residue  194 VAL
Chi-restraints excluded: chain j residue  196 VAL
Chi-restraints excluded: chain j residue  216 VAL
Chi-restraints excluded: chain j residue  219 ILE
Chi-restraints excluded: chain k residue   34 VAL
Chi-restraints excluded: chain k residue   92 VAL
Chi-restraints excluded: chain k residue  154 VAL
Chi-restraints excluded: chain k residue  170 VAL
Chi-restraints excluded: chain k residue  179 ASN
Chi-restraints excluded: chain k residue  194 VAL
Chi-restraints excluded: chain k residue  215 PHE
Chi-restraints excluded: chain k residue  216 VAL
Chi-restraints excluded: chain k residue  219 ILE
Chi-restraints excluded: chain l residue   24 GLU
Chi-restraints excluded: chain l residue   34 VAL
Chi-restraints excluded: chain l residue   61 THR
Chi-restraints excluded: chain l residue   92 VAL
Chi-restraints excluded: chain l residue   99 VAL
Chi-restraints excluded: chain l residue  111 LEU
Chi-restraints excluded: chain l residue  115 ILE
Chi-restraints excluded: chain l residue  173 VAL
Chi-restraints excluded: chain l residue  179 ASN
Chi-restraints excluded: chain l residue  196 VAL
Chi-restraints excluded: chain l residue  219 ILE
Chi-restraints excluded: chain m residue   24 GLU
Chi-restraints excluded: chain m residue   31 ILE
Chi-restraints excluded: chain m residue   99 VAL
Chi-restraints excluded: chain m residue  111 LEU
Chi-restraints excluded: chain m residue  160 VAL
Chi-restraints excluded: chain m residue  179 ASN
Chi-restraints excluded: chain m residue  181 ASP
Chi-restraints excluded: chain m residue  196 VAL
Chi-restraints excluded: chain n residue   24 GLU
Chi-restraints excluded: chain n residue   69 THR
Chi-restraints excluded: chain n residue  111 LEU
Chi-restraints excluded: chain n residue  154 VAL
Chi-restraints excluded: chain n residue  179 ASN
Chi-restraints excluded: chain n residue  181 ASP
Chi-restraints excluded: chain n residue  194 VAL
Chi-restraints excluded: chain n residue  219 ILE
Chi-restraints excluded: chain o residue   31 ILE
Chi-restraints excluded: chain o residue   62 PHE
Chi-restraints excluded: chain o residue  115 ILE
Chi-restraints excluded: chain o residue  215 PHE
Chi-restraints excluded: chain p residue   31 ILE
Chi-restraints excluded: chain p residue  131 MET
Chi-restraints excluded: chain p residue  142 LEU
Chi-restraints excluded: chain p residue  160 VAL
Chi-restraints excluded: chain p residue  178 VAL
Chi-restraints excluded: chain q residue   25 LEU
Chi-restraints excluded: chain q residue   31 ILE
Chi-restraints excluded: chain q residue   38 ASN
Chi-restraints excluded: chain q residue  111 LEU
Chi-restraints excluded: chain q residue  173 VAL
Chi-restraints excluded: chain r residue   84 ILE
Chi-restraints excluded: chain r residue  110 HIS
Chi-restraints excluded: chain r residue  124 VAL
Chi-restraints excluded: chain r residue  145 THR
Chi-restraints excluded: chain s residue   25 LEU
Chi-restraints excluded: chain s residue   34 VAL
Chi-restraints excluded: chain s residue   62 PHE
Chi-restraints excluded: chain s residue   74 LEU
Chi-restraints excluded: chain s residue   84 ILE
Chi-restraints excluded: chain s residue   90 THR
Chi-restraints excluded: chain s residue  110 HIS
Chi-restraints excluded: chain s residue  111 LEU
Chi-restraints excluded: chain s residue  124 VAL
Chi-restraints excluded: chain s residue  196 VAL
Chi-restraints excluded: chain s residue  215 PHE
Chi-restraints excluded: chain s residue  222 CYS
Chi-restraints excluded: chain t residue   31 ILE
Chi-restraints excluded: chain t residue  131 MET
Chi-restraints excluded: chain t residue  142 LEU
Chi-restraints excluded: chain t residue  160 VAL
Chi-restraints excluded: chain t residue  178 VAL
Chi-restraints excluded: chain u residue   25 LEU
Chi-restraints excluded: chain u residue   31 ILE
Chi-restraints excluded: chain u residue   38 ASN
Chi-restraints excluded: chain u residue  111 LEU
Chi-restraints excluded: chain u residue  173 VAL
Chi-restraints excluded: chain v residue   84 ILE
Chi-restraints excluded: chain v residue  110 HIS
Chi-restraints excluded: chain v residue  124 VAL
Chi-restraints excluded: chain v residue  145 THR
Chi-restraints excluded: chain w residue   25 LEU
Chi-restraints excluded: chain w residue   34 VAL
Chi-restraints excluded: chain w residue   62 PHE
Chi-restraints excluded: chain w residue   74 LEU
Chi-restraints excluded: chain w residue   84 ILE
Chi-restraints excluded: chain w residue   90 THR
Chi-restraints excluded: chain w residue  110 HIS
Chi-restraints excluded: chain w residue  111 LEU
Chi-restraints excluded: chain w residue  124 VAL
Chi-restraints excluded: chain w residue  196 VAL
Chi-restraints excluded: chain w residue  215 PHE
Chi-restraints excluded: chain w residue  222 CYS
Chi-restraints excluded: chain x residue   31 ILE
Chi-restraints excluded: chain x residue   62 PHE
Chi-restraints excluded: chain x residue  115 ILE
Chi-restraints excluded: chain x residue  215 PHE
Rotamers are restrained with sigma=3.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 1200
   random chunks:
   chunk 966 optimal weight:    9.9990
   chunk 658 optimal weight:    0.9980
   chunk 16 optimal weight:    0.9980
   chunk 863 optimal weight:    6.9990
   chunk 478 optimal weight:    4.9990
   chunk 989 optimal weight:    0.8980
   chunk 801 optimal weight:    5.9990
   chunk 1 optimal weight:    0.7980
   chunk 592 optimal weight:    3.9990
   chunk 1041 optimal weight:    5.9990
   chunk 292 optimal weight:    0.9990
   overall best weight:    0.9382

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

Flipped N/Q/H residues before XYZ refinement:
C 110 HIS
** F 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
O 110 HIS
X 110 HIS
** 3 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
4 110 HIS
** a 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 4

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7426
moved from start:          0.7311

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.042  92820  Z= 0.203
  Angle     :  0.562  11.732 125160  Z= 0.283
  Chirality :  0.047   0.157  14700
  Planarity :  0.005   0.043  15720
  Dihedral  :  4.670  30.108  12240
  Min Nonbonded Distance : 2.150

Molprobity Statistics.
  All-atom Clashscore : 12.21
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  2.86 %
    Favored  : 97.14 %
  Rotamer:
    Outliers :  5.60 %
    Allowed  : 29.40 %
    Favored  : 65.00 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 10.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.03 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -0.34 (0.08), residues: 11940
  helix:  1.29 (0.07), residues: 6060
  sheet: -1.74 (0.12), residues: 1740
  loop : -1.79 (0.09), residues: 4140

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.007   0.001   TRP n 186 
 HIS   0.013   0.001   HIS G 110 
 PHE   0.022   0.001   PHE g  51 
 TYR   0.021   0.002   TYR d 126 
 ARG   0.008   0.001   ARG m  96 

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

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

  23880 Ramachandran restraints generated.
    11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  23880 Ramachandran restraints generated.
    11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  2070 residues out of total 9840 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 551
    poor density    : 1519
  time to evaluate  : 8.013 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A   24 GLU cc_start: 0.4849 (OUTLIER) cc_final: 0.4593 (pm20)
REVERT: A   80 MET cc_start: 0.7785 (mtp) cc_final: 0.7494 (mtp)
REVERT: B   22 MET cc_start: 0.7752 (mmm) cc_final: 0.7182 (mmt)
REVERT: B  120 LYS cc_start: 0.7348 (mttm) cc_final: 0.7004 (ttpp)
REVERT: C   22 MET cc_start: 0.8230 (mmm) cc_final: 0.7566 (mpp)
REVERT: C   59 GLU cc_start: 0.6777 (tt0) cc_final: 0.6570 (tt0)
REVERT: C   96 ARG cc_start: 0.7090 (ttp80) cc_final: 0.6768 (mtm180)
REVERT: C  113 GLU cc_start: 0.7030 (mp0) cc_final: 0.6589 (tp30)
REVERT: C  188 LYS cc_start: 0.8599 (ttpt) cc_final: 0.8386 (mttm)
REVERT: C  220 ARG cc_start: 0.6714 (tpp80) cc_final: 0.6072 (mmt90)
REVERT: D   59 GLU cc_start: 0.6601 (tt0) cc_final: 0.6343 (tt0)
REVERT: D  186 TRP cc_start: 0.7606 (m100) cc_final: 0.7171 (m100)
REVERT: D  188 LYS cc_start: 0.8195 (ttmt) cc_final: 0.7843 (ttmt)
REVERT: D  215 PHE cc_start: 0.7964 (OUTLIER) cc_final: 0.6422 (t80)
REVERT: E   24 GLU cc_start: 0.5378 (OUTLIER) cc_final: 0.5007 (pm20)
REVERT: E  215 PHE cc_start: 0.7529 (OUTLIER) cc_final: 0.6318 (t80)
REVERT: E  220 ARG cc_start: 0.7454 (tpp80) cc_final: 0.6678 (mtm110)
REVERT: F   58 ILE cc_start: 0.8138 (OUTLIER) cc_final: 0.7905 (mt)
REVERT: F  161 LYS cc_start: 0.8490 (OUTLIER) cc_final: 0.8134 (ttpt)
REVERT: H   22 MET cc_start: 0.7423 (OUTLIER) cc_final: 0.7051 (mmt)
REVERT: H   24 GLU cc_start: 0.4726 (OUTLIER) cc_final: 0.4451 (pm20)
REVERT: H  220 ARG cc_start: 0.7496 (tmm-80) cc_final: 0.7097 (mtm110)
REVERT: I  131 MET cc_start: 0.6593 (OUTLIER) cc_final: 0.6089 (mmm)
REVERT: I  140 MET cc_start: 0.7798 (mtt) cc_final: 0.7569 (mtp)
REVERT: J   96 ARG cc_start: 0.7172 (ptt90) cc_final: 0.6952 (ptp-170)
REVERT: J  120 LYS cc_start: 0.7698 (mttm) cc_final: 0.7095 (ttpp)
REVERT: J  220 ARG cc_start: 0.6962 (mtm110) cc_final: 0.6612 (mmt90)
REVERT: K   22 MET cc_start: 0.7435 (mmt) cc_final: 0.6726 (mmt)
REVERT: K   96 ARG cc_start: 0.7667 (tmm-80) cc_final: 0.7035 (tpp80)
REVERT: L   96 ARG cc_start: 0.7319 (ttp80) cc_final: 0.7074 (ttp-170)
REVERT: L  120 LYS cc_start: 0.7601 (mttm) cc_final: 0.6892 (ttpp)
REVERT: L  131 MET cc_start: 0.6470 (ttt) cc_final: 0.6198 (ttt)
REVERT: M   22 MET cc_start: 0.7257 (ppp) cc_final: 0.7026 (ppp)
REVERT: N  207 GLU cc_start: 0.7967 (tp30) cc_final: 0.7708 (tt0)
REVERT: Q  215 PHE cc_start: 0.7858 (OUTLIER) cc_final: 0.6906 (t80)
REVERT: S  207 GLU cc_start: 0.7961 (mm-30) cc_final: 0.7679 (tp30)
REVERT: T  136 LEU cc_start: 0.8258 (tt) cc_final: 0.7967 (tt)
REVERT: U   96 ARG cc_start: 0.7319 (ttp80) cc_final: 0.7074 (ttp-170)
REVERT: U  120 LYS cc_start: 0.7600 (mttm) cc_final: 0.6893 (ttpp)
REVERT: U  131 MET cc_start: 0.6470 (ttt) cc_final: 0.6197 (ttt)
REVERT: V   22 MET cc_start: 0.7258 (ppp) cc_final: 0.7026 (ppp)
REVERT: W  207 GLU cc_start: 0.7966 (tp30) cc_final: 0.7707 (tt0)
REVERT: Y   22 MET cc_start: 0.7439 (mmt) cc_final: 0.6715 (mmt)
REVERT: Y   96 ARG cc_start: 0.7667 (tmm-80) cc_final: 0.7034 (tpp80)
REVERT: 0   22 MET cc_start: 0.7421 (OUTLIER) cc_final: 0.7028 (mmt)
REVERT: 0   24 GLU cc_start: 0.4723 (OUTLIER) cc_final: 0.4449 (pm20)
REVERT: 0  220 ARG cc_start: 0.7496 (tmm-80) cc_final: 0.7096 (mtm110)
REVERT: 1  131 MET cc_start: 0.6593 (OUTLIER) cc_final: 0.6088 (mmm)
REVERT: 1  140 MET cc_start: 0.7698 (mtt) cc_final: 0.7465 (mtp)
REVERT: 2   96 ARG cc_start: 0.7184 (ptt90) cc_final: 0.6962 (ptp-170)
REVERT: 2  120 LYS cc_start: 0.7698 (mttm) cc_final: 0.7094 (ttpp)
REVERT: 2  220 ARG cc_start: 0.6962 (mtm110) cc_final: 0.6613 (mmt90)
REVERT: 3   58 ILE cc_start: 0.8137 (OUTLIER) cc_final: 0.7902 (mt)
REVERT: 3  161 LYS cc_start: 0.8490 (OUTLIER) cc_final: 0.8134 (ttpt)
REVERT: 4   24 GLU cc_start: 0.5423 (OUTLIER) cc_final: 0.4775 (pm20)
REVERT: 5   22 MET cc_start: 0.7406 (mmt) cc_final: 0.6612 (mmt)
REVERT: 5   96 ARG cc_start: 0.7668 (tmm-80) cc_final: 0.7035 (tpp80)
REVERT: 6   96 ARG cc_start: 0.7320 (ttp80) cc_final: 0.7074 (ttp-170)
REVERT: 6  120 LYS cc_start: 0.7601 (mttm) cc_final: 0.6892 (ttpp)
REVERT: 6  131 MET cc_start: 0.6471 (ttt) cc_final: 0.6197 (ttt)
REVERT: 7   22 MET cc_start: 0.7257 (ppp) cc_final: 0.7026 (ppp)
REVERT: 8  207 GLU cc_start: 0.7967 (tp30) cc_final: 0.7708 (tt0)
REVERT: 9   96 ARG cc_start: 0.7184 (ptt90) cc_final: 0.6962 (ptp-170)
REVERT: 9  120 LYS cc_start: 0.7698 (mttm) cc_final: 0.7094 (ttpp)
REVERT: 9  220 ARG cc_start: 0.6963 (mtm110) cc_final: 0.6613 (mmt90)
REVERT: a   58 ILE cc_start: 0.8139 (OUTLIER) cc_final: 0.7905 (mt)
REVERT: a  161 LYS cc_start: 0.8491 (OUTLIER) cc_final: 0.8134 (ttpt)
REVERT: c   22 MET cc_start: 0.7423 (OUTLIER) cc_final: 0.7051 (mmt)
REVERT: c   24 GLU cc_start: 0.4727 (OUTLIER) cc_final: 0.4452 (pm20)
REVERT: c  220 ARG cc_start: 0.7497 (tmm-80) cc_final: 0.7097 (mtm110)
REVERT: d   59 GLU cc_start: 0.7444 (tt0) cc_final: 0.7243 (tt0)
REVERT: d  131 MET cc_start: 0.6594 (OUTLIER) cc_final: 0.6088 (mmm)
REVERT: d  140 MET cc_start: 0.7697 (mtt) cc_final: 0.7463 (mtp)
REVERT: e   22 MET cc_start: 0.8229 (mmm) cc_final: 0.7568 (mpp)
REVERT: e   59 GLU cc_start: 0.6777 (tt0) cc_final: 0.6570 (tt0)
REVERT: e   96 ARG cc_start: 0.7089 (ttp80) cc_final: 0.6765 (mtm180)
REVERT: e  113 GLU cc_start: 0.7108 (mp0) cc_final: 0.6659 (tp30)
REVERT: e  220 ARG cc_start: 0.6714 (tpp80) cc_final: 0.6071 (mmt90)
REVERT: f   59 GLU cc_start: 0.6600 (tt0) cc_final: 0.6342 (tt0)
REVERT: f  186 TRP cc_start: 0.7607 (m100) cc_final: 0.7172 (m100)
REVERT: f  188 LYS cc_start: 0.8195 (ttmt) cc_final: 0.7843 (ttmt)
REVERT: f  215 PHE cc_start: 0.7964 (OUTLIER) cc_final: 0.6421 (t80)
REVERT: g   24 GLU cc_start: 0.5377 (OUTLIER) cc_final: 0.5007 (pm20)
REVERT: g  215 PHE cc_start: 0.7528 (OUTLIER) cc_final: 0.6317 (t80)
REVERT: g  220 ARG cc_start: 0.7454 (tpp80) cc_final: 0.6678 (mtm110)
REVERT: h   24 GLU cc_start: 0.4849 (OUTLIER) cc_final: 0.4593 (pm20)
REVERT: h   80 MET cc_start: 0.7784 (mtp) cc_final: 0.7493 (mtp)
REVERT: i   22 MET cc_start: 0.7753 (mmm) cc_final: 0.7183 (mmt)
REVERT: i  120 LYS cc_start: 0.7348 (mttm) cc_final: 0.7004 (ttpp)
REVERT: j   59 GLU cc_start: 0.6612 (tt0) cc_final: 0.6357 (tt0)
REVERT: j  186 TRP cc_start: 0.7588 (m100) cc_final: 0.7154 (m100)
REVERT: j  188 LYS cc_start: 0.8204 (ttmt) cc_final: 0.7851 (ttmt)
REVERT: j  215 PHE cc_start: 0.7964 (OUTLIER) cc_final: 0.6422 (t80)
REVERT: k   24 GLU cc_start: 0.5377 (OUTLIER) cc_final: 0.5007 (pm20)
REVERT: k  215 PHE cc_start: 0.7528 (OUTLIER) cc_final: 0.6317 (t80)
REVERT: k  220 ARG cc_start: 0.7454 (tpp80) cc_final: 0.6678 (mtm110)
REVERT: l   24 GLU cc_start: 0.4849 (OUTLIER) cc_final: 0.4593 (pm20)
REVERT: l   80 MET cc_start: 0.7785 (mtp) cc_final: 0.7494 (mtp)
REVERT: m   22 MET cc_start: 0.7752 (mmm) cc_final: 0.7182 (mmt)
REVERT: m  120 LYS cc_start: 0.7349 (mttm) cc_final: 0.7004 (ttpp)
REVERT: n   22 MET cc_start: 0.8230 (mmm) cc_final: 0.7567 (mpp)
REVERT: n   59 GLU cc_start: 0.6777 (tt0) cc_final: 0.6570 (tt0)
REVERT: n   96 ARG cc_start: 0.7089 (ttp80) cc_final: 0.6766 (mtm180)
REVERT: n  113 GLU cc_start: 0.7108 (mp0) cc_final: 0.6659 (tp30)
REVERT: n  188 LYS cc_start: 0.8599 (ttpt) cc_final: 0.8386 (mttm)
REVERT: n  220 ARG cc_start: 0.6714 (tpp80) cc_final: 0.6072 (mmt90)
REVERT: p  207 GLU cc_start: 0.7961 (mm-30) cc_final: 0.7679 (tp30)
REVERT: q  136 LEU cc_start: 0.8258 (tt) cc_final: 0.7968 (tt)
REVERT: s  215 PHE cc_start: 0.7859 (OUTLIER) cc_final: 0.6906 (t80)
REVERT: t  207 GLU cc_start: 0.7961 (mm-30) cc_final: 0.7679 (tp30)
REVERT: u  136 LEU cc_start: 0.8261 (tt) cc_final: 0.7971 (tt)
REVERT: w  215 PHE cc_start: 0.7859 (OUTLIER) cc_final: 0.6906 (t80)
  outliers start: 551
  outliers final: 367
  residues processed: 1917
  average time/residue: 0.7846
  time to fit residues: 2660.9658
Evaluate side-chains
  1811 residues out of total 9840 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 398
    poor density    : 1413
  time to evaluate  : 7.983 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   24 GLU
Chi-restraints excluded: chain A residue   34 VAL
Chi-restraints excluded: chain A residue   61 THR
Chi-restraints excluded: chain A residue   99 VAL
Chi-restraints excluded: chain A residue  179 ASN
Chi-restraints excluded: chain B residue   24 GLU
Chi-restraints excluded: chain B residue   31 ILE
Chi-restraints excluded: chain B residue   99 VAL
Chi-restraints excluded: chain B residue  111 LEU
Chi-restraints excluded: chain B residue  146 ILE
Chi-restraints excluded: chain B residue  160 VAL
Chi-restraints excluded: chain B residue  170 VAL
Chi-restraints excluded: chain B residue  179 ASN
Chi-restraints excluded: chain C residue  111 LEU
Chi-restraints excluded: chain C residue  154 VAL
Chi-restraints excluded: chain C residue  179 ASN
Chi-restraints excluded: chain C residue  181 ASP
Chi-restraints excluded: chain C residue  196 VAL
Chi-restraints excluded: chain D residue   31 ILE
Chi-restraints excluded: chain D residue   89 VAL
Chi-restraints excluded: chain D residue  137 VAL
Chi-restraints excluded: chain D residue  154 VAL
Chi-restraints excluded: chain D residue  181 ASP
Chi-restraints excluded: chain D residue  194 VAL
Chi-restraints excluded: chain D residue  196 VAL
Chi-restraints excluded: chain D residue  215 PHE
Chi-restraints excluded: chain D residue  219 ILE
Chi-restraints excluded: chain E residue   24 GLU
Chi-restraints excluded: chain E residue   34 VAL
Chi-restraints excluded: chain E residue   92 VAL
Chi-restraints excluded: chain E residue  111 LEU
Chi-restraints excluded: chain E residue  154 VAL
Chi-restraints excluded: chain E residue  170 VAL
Chi-restraints excluded: chain E residue  179 ASN
Chi-restraints excluded: chain E residue  215 PHE
Chi-restraints excluded: chain E residue  219 ILE
Chi-restraints excluded: chain F residue   58 ILE
Chi-restraints excluded: chain F residue   74 LEU
Chi-restraints excluded: chain F residue   89 VAL
Chi-restraints excluded: chain F residue  110 HIS
Chi-restraints excluded: chain F residue  124 VAL
Chi-restraints excluded: chain F residue  145 THR
Chi-restraints excluded: chain F residue  161 LYS
Chi-restraints excluded: chain F residue  178 VAL
Chi-restraints excluded: chain F residue  181 ASP
Chi-restraints excluded: chain F residue  204 THR
Chi-restraints excluded: chain G residue  124 VAL
Chi-restraints excluded: chain G residue  154 VAL
Chi-restraints excluded: chain G residue  206 VAL
Chi-restraints excluded: chain G residue  222 CYS
Chi-restraints excluded: chain H residue   22 MET
Chi-restraints excluded: chain H residue   24 GLU
Chi-restraints excluded: chain H residue   34 VAL
Chi-restraints excluded: chain H residue   92 VAL
Chi-restraints excluded: chain H residue  101 SER
Chi-restraints excluded: chain H residue  110 HIS
Chi-restraints excluded: chain H residue  154 VAL
Chi-restraints excluded: chain H residue  215 PHE
Chi-restraints excluded: chain I residue   22 MET
Chi-restraints excluded: chain I residue   31 ILE
Chi-restraints excluded: chain I residue   34 VAL
Chi-restraints excluded: chain I residue   38 ASN
Chi-restraints excluded: chain I residue  131 MET
Chi-restraints excluded: chain I residue  160 VAL
Chi-restraints excluded: chain I residue  178 VAL
Chi-restraints excluded: chain I residue  192 LEU
Chi-restraints excluded: chain J residue   31 ILE
Chi-restraints excluded: chain J residue   38 ASN
Chi-restraints excluded: chain J residue   58 ILE
Chi-restraints excluded: chain J residue   61 THR
Chi-restraints excluded: chain J residue  124 VAL
Chi-restraints excluded: chain J residue  145 THR
Chi-restraints excluded: chain J residue  170 VAL
Chi-restraints excluded: chain K residue   34 VAL
Chi-restraints excluded: chain K residue   38 ASN
Chi-restraints excluded: chain K residue   99 VAL
Chi-restraints excluded: chain K residue  110 HIS
Chi-restraints excluded: chain K residue  111 LEU
Chi-restraints excluded: chain K residue  115 ILE
Chi-restraints excluded: chain K residue  154 VAL
Chi-restraints excluded: chain K residue  181 ASP
Chi-restraints excluded: chain K residue  196 VAL
Chi-restraints excluded: chain L residue  145 THR
Chi-restraints excluded: chain L residue  146 ILE
Chi-restraints excluded: chain L residue  178 VAL
Chi-restraints excluded: chain L residue  181 ASP
Chi-restraints excluded: chain L residue  192 LEU
Chi-restraints excluded: chain M residue   31 ILE
Chi-restraints excluded: chain M residue  124 VAL
Chi-restraints excluded: chain M residue  136 LEU
Chi-restraints excluded: chain M residue  181 ASP
Chi-restraints excluded: chain M residue  185 GLU
Chi-restraints excluded: chain M residue  196 VAL
Chi-restraints excluded: chain N residue   25 LEU
Chi-restraints excluded: chain N residue   89 VAL
Chi-restraints excluded: chain N residue  111 LEU
Chi-restraints excluded: chain N residue  124 VAL
Chi-restraints excluded: chain N residue  131 MET
Chi-restraints excluded: chain N residue  154 VAL
Chi-restraints excluded: chain N residue  179 ASN
Chi-restraints excluded: chain O residue  154 VAL
Chi-restraints excluded: chain O residue  183 VAL
Chi-restraints excluded: chain O residue  194 VAL
Chi-restraints excluded: chain P residue   31 ILE
Chi-restraints excluded: chain P residue   61 THR
Chi-restraints excluded: chain P residue   84 ILE
Chi-restraints excluded: chain P residue  110 HIS
Chi-restraints excluded: chain P residue  124 VAL
Chi-restraints excluded: chain P residue  145 THR
Chi-restraints excluded: chain Q residue   31 ILE
Chi-restraints excluded: chain Q residue   32 VAL
Chi-restraints excluded: chain Q residue   74 LEU
Chi-restraints excluded: chain Q residue   84 ILE
Chi-restraints excluded: chain Q residue  124 VAL
Chi-restraints excluded: chain Q residue  215 PHE
Chi-restraints excluded: chain Q residue  222 CYS
Chi-restraints excluded: chain R residue   62 PHE
Chi-restraints excluded: chain R residue  215 PHE
Chi-restraints excluded: chain S residue   31 ILE
Chi-restraints excluded: chain S residue   38 ASN
Chi-restraints excluded: chain S residue   77 LEU
Chi-restraints excluded: chain S residue  110 HIS
Chi-restraints excluded: chain S residue  131 MET
Chi-restraints excluded: chain S residue  160 VAL
Chi-restraints excluded: chain S residue  178 VAL
Chi-restraints excluded: chain S residue  196 VAL
Chi-restraints excluded: chain T residue   25 LEU
Chi-restraints excluded: chain T residue   31 ILE
Chi-restraints excluded: chain T residue   38 ASN
Chi-restraints excluded: chain T residue   69 THR
Chi-restraints excluded: chain T residue  110 HIS
Chi-restraints excluded: chain T residue  160 VAL
Chi-restraints excluded: chain U residue  145 THR
Chi-restraints excluded: chain U residue  146 ILE
Chi-restraints excluded: chain U residue  178 VAL
Chi-restraints excluded: chain U residue  181 ASP
Chi-restraints excluded: chain U residue  192 LEU
Chi-restraints excluded: chain V residue   31 ILE
Chi-restraints excluded: chain V residue  124 VAL
Chi-restraints excluded: chain V residue  136 LEU
Chi-restraints excluded: chain V residue  181 ASP
Chi-restraints excluded: chain V residue  185 GLU
Chi-restraints excluded: chain V residue  196 VAL
Chi-restraints excluded: chain W residue   25 LEU
Chi-restraints excluded: chain W residue   89 VAL
Chi-restraints excluded: chain W residue  111 LEU
Chi-restraints excluded: chain W residue  124 VAL
Chi-restraints excluded: chain W residue  154 VAL
Chi-restraints excluded: chain W residue  179 ASN
Chi-restraints excluded: chain X residue  154 VAL
Chi-restraints excluded: chain X residue  183 VAL
Chi-restraints excluded: chain X residue  194 VAL
Chi-restraints excluded: chain Y residue   34 VAL
Chi-restraints excluded: chain Y residue   38 ASN
Chi-restraints excluded: chain Y residue   99 VAL
Chi-restraints excluded: chain Y residue  110 HIS
Chi-restraints excluded: chain Y residue  111 LEU
Chi-restraints excluded: chain Y residue  115 ILE
Chi-restraints excluded: chain Y residue  127 MET
Chi-restraints excluded: chain Y residue  154 VAL
Chi-restraints excluded: chain Y residue  181 ASP
Chi-restraints excluded: chain Y residue  196 VAL
Chi-restraints excluded: chain Z residue  124 VAL
Chi-restraints excluded: chain Z residue  154 VAL
Chi-restraints excluded: chain Z residue  206 VAL
Chi-restraints excluded: chain Z residue  222 CYS
Chi-restraints excluded: chain 0 residue   22 MET
Chi-restraints excluded: chain 0 residue   24 GLU
Chi-restraints excluded: chain 0 residue   34 VAL
Chi-restraints excluded: chain 0 residue   92 VAL
Chi-restraints excluded: chain 0 residue  101 SER
Chi-restraints excluded: chain 0 residue  110 HIS
Chi-restraints excluded: chain 0 residue  154 VAL
Chi-restraints excluded: chain 0 residue  215 PHE
Chi-restraints excluded: chain 1 residue   22 MET
Chi-restraints excluded: chain 1 residue   31 ILE
Chi-restraints excluded: chain 1 residue   34 VAL
Chi-restraints excluded: chain 1 residue   38 ASN
Chi-restraints excluded: chain 1 residue  127 MET
Chi-restraints excluded: chain 1 residue  131 MET
Chi-restraints excluded: chain 1 residue  160 VAL
Chi-restraints excluded: chain 1 residue  178 VAL
Chi-restraints excluded: chain 1 residue  192 LEU
Chi-restraints excluded: chain 2 residue   31 ILE
Chi-restraints excluded: chain 2 residue   38 ASN
Chi-restraints excluded: chain 2 residue   58 ILE
Chi-restraints excluded: chain 2 residue   61 THR
Chi-restraints excluded: chain 2 residue  124 VAL
Chi-restraints excluded: chain 2 residue  145 THR
Chi-restraints excluded: chain 2 residue  170 VAL
Chi-restraints excluded: chain 3 residue   58 ILE
Chi-restraints excluded: chain 3 residue   74 LEU
Chi-restraints excluded: chain 3 residue   89 VAL
Chi-restraints excluded: chain 3 residue  110 HIS
Chi-restraints excluded: chain 3 residue  124 VAL
Chi-restraints excluded: chain 3 residue  145 THR
Chi-restraints excluded: chain 3 residue  161 LYS
Chi-restraints excluded: chain 3 residue  178 VAL
Chi-restraints excluded: chain 3 residue  181 ASP
Chi-restraints excluded: chain 3 residue  204 THR
Chi-restraints excluded: chain 4 residue   24 GLU
Chi-restraints excluded: chain 4 residue  154 VAL
Chi-restraints excluded: chain 4 residue  183 VAL
Chi-restraints excluded: chain 4 residue  194 VAL
Chi-restraints excluded: chain 5 residue   34 VAL
Chi-restraints excluded: chain 5 residue   38 ASN
Chi-restraints excluded: chain 5 residue   99 VAL
Chi-restraints excluded: chain 5 residue  110 HIS
Chi-restraints excluded: chain 5 residue  111 LEU
Chi-restraints excluded: chain 5 residue  115 ILE
Chi-restraints excluded: chain 5 residue  154 VAL
Chi-restraints excluded: chain 5 residue  181 ASP
Chi-restraints excluded: chain 5 residue  196 VAL
Chi-restraints excluded: chain 6 residue  145 THR
Chi-restraints excluded: chain 6 residue  146 ILE
Chi-restraints excluded: chain 6 residue  178 VAL
Chi-restraints excluded: chain 6 residue  181 ASP
Chi-restraints excluded: chain 6 residue  192 LEU
Chi-restraints excluded: chain 7 residue   31 ILE
Chi-restraints excluded: chain 7 residue  124 VAL
Chi-restraints excluded: chain 7 residue  136 LEU
Chi-restraints excluded: chain 7 residue  181 ASP
Chi-restraints excluded: chain 7 residue  185 GLU
Chi-restraints excluded: chain 7 residue  196 VAL
Chi-restraints excluded: chain 8 residue   25 LEU
Chi-restraints excluded: chain 8 residue   89 VAL
Chi-restraints excluded: chain 8 residue  111 LEU
Chi-restraints excluded: chain 8 residue  124 VAL
Chi-restraints excluded: chain 8 residue  131 MET
Chi-restraints excluded: chain 8 residue  154 VAL
Chi-restraints excluded: chain 8 residue  179 ASN
Chi-restraints excluded: chain 9 residue   31 ILE
Chi-restraints excluded: chain 9 residue   38 ASN
Chi-restraints excluded: chain 9 residue   58 ILE
Chi-restraints excluded: chain 9 residue   61 THR
Chi-restraints excluded: chain 9 residue  124 VAL
Chi-restraints excluded: chain 9 residue  145 THR
Chi-restraints excluded: chain 9 residue  170 VAL
Chi-restraints excluded: chain a residue   58 ILE
Chi-restraints excluded: chain a residue   74 LEU
Chi-restraints excluded: chain a residue   89 VAL
Chi-restraints excluded: chain a residue  110 HIS
Chi-restraints excluded: chain a residue  124 VAL
Chi-restraints excluded: chain a residue  145 THR
Chi-restraints excluded: chain a residue  161 LYS
Chi-restraints excluded: chain a residue  178 VAL
Chi-restraints excluded: chain a residue  181 ASP
Chi-restraints excluded: chain a residue  204 THR
Chi-restraints excluded: chain b residue  124 VAL
Chi-restraints excluded: chain b residue  154 VAL
Chi-restraints excluded: chain b residue  206 VAL
Chi-restraints excluded: chain b residue  222 CYS
Chi-restraints excluded: chain c residue   22 MET
Chi-restraints excluded: chain c residue   24 GLU
Chi-restraints excluded: chain c residue   34 VAL
Chi-restraints excluded: chain c residue   92 VAL
Chi-restraints excluded: chain c residue  101 SER
Chi-restraints excluded: chain c residue  110 HIS
Chi-restraints excluded: chain c residue  154 VAL
Chi-restraints excluded: chain c residue  215 PHE
Chi-restraints excluded: chain d residue   22 MET
Chi-restraints excluded: chain d residue   31 ILE
Chi-restraints excluded: chain d residue   34 VAL
Chi-restraints excluded: chain d residue   38 ASN
Chi-restraints excluded: chain d residue  127 MET
Chi-restraints excluded: chain d residue  131 MET
Chi-restraints excluded: chain d residue  160 VAL
Chi-restraints excluded: chain d residue  178 VAL
Chi-restraints excluded: chain d residue  192 LEU
Chi-restraints excluded: chain e residue  111 LEU
Chi-restraints excluded: chain e residue  154 VAL
Chi-restraints excluded: chain e residue  179 ASN
Chi-restraints excluded: chain e residue  181 ASP
Chi-restraints excluded: chain e residue  196 VAL
Chi-restraints excluded: chain f residue   31 ILE
Chi-restraints excluded: chain f residue   89 VAL
Chi-restraints excluded: chain f residue  137 VAL
Chi-restraints excluded: chain f residue  154 VAL
Chi-restraints excluded: chain f residue  181 ASP
Chi-restraints excluded: chain f residue  194 VAL
Chi-restraints excluded: chain f residue  196 VAL
Chi-restraints excluded: chain f residue  215 PHE
Chi-restraints excluded: chain f residue  219 ILE
Chi-restraints excluded: chain g residue   24 GLU
Chi-restraints excluded: chain g residue   34 VAL
Chi-restraints excluded: chain g residue   92 VAL
Chi-restraints excluded: chain g residue  111 LEU
Chi-restraints excluded: chain g residue  154 VAL
Chi-restraints excluded: chain g residue  170 VAL
Chi-restraints excluded: chain g residue  179 ASN
Chi-restraints excluded: chain g residue  215 PHE
Chi-restraints excluded: chain g residue  219 ILE
Chi-restraints excluded: chain h residue   24 GLU
Chi-restraints excluded: chain h residue   34 VAL
Chi-restraints excluded: chain h residue   61 THR
Chi-restraints excluded: chain h residue   99 VAL
Chi-restraints excluded: chain h residue  179 ASN
Chi-restraints excluded: chain i residue   24 GLU
Chi-restraints excluded: chain i residue   31 ILE
Chi-restraints excluded: chain i residue   99 VAL
Chi-restraints excluded: chain i residue  111 LEU
Chi-restraints excluded: chain i residue  146 ILE
Chi-restraints excluded: chain i residue  160 VAL
Chi-restraints excluded: chain i residue  170 VAL
Chi-restraints excluded: chain i residue  179 ASN
Chi-restraints excluded: chain j residue   31 ILE
Chi-restraints excluded: chain j residue   89 VAL
Chi-restraints excluded: chain j residue  137 VAL
Chi-restraints excluded: chain j residue  154 VAL
Chi-restraints excluded: chain j residue  173 VAL
Chi-restraints excluded: chain j residue  181 ASP
Chi-restraints excluded: chain j residue  194 VAL
Chi-restraints excluded: chain j residue  196 VAL
Chi-restraints excluded: chain j residue  215 PHE
Chi-restraints excluded: chain j residue  219 ILE
Chi-restraints excluded: chain k residue   24 GLU
Chi-restraints excluded: chain k residue   34 VAL
Chi-restraints excluded: chain k residue   92 VAL
Chi-restraints excluded: chain k residue  111 LEU
Chi-restraints excluded: chain k residue  154 VAL
Chi-restraints excluded: chain k residue  170 VAL
Chi-restraints excluded: chain k residue  179 ASN
Chi-restraints excluded: chain k residue  215 PHE
Chi-restraints excluded: chain k residue  219 ILE
Chi-restraints excluded: chain l residue   24 GLU
Chi-restraints excluded: chain l residue   34 VAL
Chi-restraints excluded: chain l residue   61 THR
Chi-restraints excluded: chain l residue   99 VAL
Chi-restraints excluded: chain l residue  179 ASN
Chi-restraints excluded: chain m residue   24 GLU
Chi-restraints excluded: chain m residue   31 ILE
Chi-restraints excluded: chain m residue   99 VAL
Chi-restraints excluded: chain m residue  111 LEU
Chi-restraints excluded: chain m residue  146 ILE
Chi-restraints excluded: chain m residue  160 VAL
Chi-restraints excluded: chain m residue  170 VAL
Chi-restraints excluded: chain m residue  179 ASN
Chi-restraints excluded: chain n residue  111 LEU
Chi-restraints excluded: chain n residue  154 VAL
Chi-restraints excluded: chain n residue  179 ASN
Chi-restraints excluded: chain n residue  181 ASP
Chi-restraints excluded: chain n residue  196 VAL
Chi-restraints excluded: chain o residue   62 PHE
Chi-restraints excluded: chain o residue  215 PHE
Chi-restraints excluded: chain p residue   31 ILE
Chi-restraints excluded: chain p residue   38 ASN
Chi-restraints excluded: chain p residue   77 LEU
Chi-restraints excluded: chain p residue  110 HIS
Chi-restraints excluded: chain p residue  131 MET
Chi-restraints excluded: chain p residue  160 VAL
Chi-restraints excluded: chain p residue  178 VAL
Chi-restraints excluded: chain p residue  196 VAL
Chi-restraints excluded: chain q residue   25 LEU
Chi-restraints excluded: chain q residue   31 ILE
Chi-restraints excluded: chain q residue   38 ASN
Chi-restraints excluded: chain q residue   69 THR
Chi-restraints excluded: chain q residue  110 HIS
Chi-restraints excluded: chain q residue  160 VAL
Chi-restraints excluded: chain r residue   61 THR
Chi-restraints excluded: chain r residue   84 ILE
Chi-restraints excluded: chain r residue  110 HIS
Chi-restraints excluded: chain r residue  124 VAL
Chi-restraints excluded: chain r residue  145 THR
Chi-restraints excluded: chain s residue   31 ILE
Chi-restraints excluded: chain s residue   32 VAL
Chi-restraints excluded: chain s residue   74 LEU
Chi-restraints excluded: chain s residue   84 ILE
Chi-restraints excluded: chain s residue  124 VAL
Chi-restraints excluded: chain s residue  215 PHE
Chi-restraints excluded: chain s residue  222 CYS
Chi-restraints excluded: chain t residue   31 ILE
Chi-restraints excluded: chain t residue   38 ASN
Chi-restraints excluded: chain t residue   77 LEU
Chi-restraints excluded: chain t residue  110 HIS
Chi-restraints excluded: chain t residue  131 MET
Chi-restraints excluded: chain t residue  160 VAL
Chi-restraints excluded: chain t residue  178 VAL
Chi-restraints excluded: chain t residue  196 VAL
Chi-restraints excluded: chain u residue   25 LEU
Chi-restraints excluded: chain u residue   31 ILE
Chi-restraints excluded: chain u residue   38 ASN
Chi-restraints excluded: chain u residue   69 THR
Chi-restraints excluded: chain u residue  110 HIS
Chi-restraints excluded: chain u residue  160 VAL
Chi-restraints excluded: chain v residue   61 THR
Chi-restraints excluded: chain v residue   84 ILE
Chi-restraints excluded: chain v residue  110 HIS
Chi-restraints excluded: chain v residue  124 VAL
Chi-restraints excluded: chain v residue  145 THR
Chi-restraints excluded: chain w residue   31 ILE
Chi-restraints excluded: chain w residue   32 VAL
Chi-restraints excluded: chain w residue   74 LEU
Chi-restraints excluded: chain w residue   84 ILE
Chi-restraints excluded: chain w residue  124 VAL
Chi-restraints excluded: chain w residue  215 PHE
Chi-restraints excluded: chain w residue  222 CYS
Chi-restraints excluded: chain x residue   62 PHE
Chi-restraints excluded: chain x residue  215 PHE
Rotamers are restrained with sigma=3.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 1200
   random chunks:
   chunk 390 optimal weight:    4.9990
   chunk 1044 optimal weight:    7.9990
   chunk 229 optimal weight:    3.9990
   chunk 681 optimal weight:    1.9990
   chunk 286 optimal weight:    3.9990
   chunk 1161 optimal weight:    3.9990
   chunk 963 optimal weight:    0.0980
   chunk 537 optimal weight:    2.9990
   chunk 96 optimal weight:    0.1980
   chunk 384 optimal weight:    6.9990
   chunk 609 optimal weight:    0.0970
   overall best weight:    1.0782

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

Flipped N/Q/H residues before XYZ refinement:
** C 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
D 110 HIS
** F 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
H 182 ASN
** N 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** O 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** W 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** X 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** 3 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** 4 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** 8 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** a 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
e 110 HIS
f 110 HIS
j 110 HIS
n 110 HIS

Total number of N/Q/H flips: 6

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7469
moved from start:          0.7777

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.037  92820  Z= 0.210
  Angle     :  0.561  10.198 125160  Z= 0.282
  Chirality :  0.047   0.162  14700
  Planarity :  0.005   0.046  15720
  Dihedral  :  4.575  31.217  12240
  Min Nonbonded Distance : 2.153

Molprobity Statistics.
  All-atom Clashscore : 12.31
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  3.75 %
    Favored  : 96.25 %
  Rotamer:
    Outliers :  6.30 %
    Allowed  : 28.63 %
    Favored  : 65.07 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 10.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.03 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  0.20 (0.08), residues: 11940
  helix:  1.71 (0.07), residues: 5700
  sheet: -1.78 (0.10), residues: 2640
  loop : -0.76 (0.11), residues: 3600

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.008   0.002   TRP n 186 
 HIS   0.012   0.001   HIS M 110 
 PHE   0.030   0.001   PHE Y  51 
 TYR   0.015   0.002   TYR R 126 
 ARG   0.010   0.001   ARG m  96 

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

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

  23880 Ramachandran restraints generated.
    11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  23880 Ramachandran restraints generated.
    11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  2133 residues out of total 9840 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 620
    poor density    : 1513
  time to evaluate  : 7.969 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A   24 GLU cc_start: 0.5006 (OUTLIER) cc_final: 0.4711 (pm20)
REVERT: A   80 MET cc_start: 0.7823 (mtp) cc_final: 0.7525 (mtm)
REVERT: A  220 ARG cc_start: 0.7317 (tpp80) cc_final: 0.6735 (mpt-90)
REVERT: B   22 MET cc_start: 0.7811 (mmm) cc_final: 0.7356 (mmt)
REVERT: B   96 ARG cc_start: 0.7583 (ttp80) cc_final: 0.7277 (tmm160)
REVERT: B  120 LYS cc_start: 0.7427 (mttm) cc_final: 0.7053 (ttpp)
REVERT: C   22 MET cc_start: 0.8179 (mmm) cc_final: 0.7346 (mpp)
REVERT: C   24 GLU cc_start: 0.5309 (OUTLIER) cc_final: 0.5085 (pm20)
REVERT: C   59 GLU cc_start: 0.6974 (tt0) cc_final: 0.6747 (tt0)
REVERT: C   96 ARG cc_start: 0.7193 (ttp80) cc_final: 0.6882 (mtm180)
REVERT: C  113 GLU cc_start: 0.6942 (mp0) cc_final: 0.6631 (tp30)
REVERT: D   59 GLU cc_start: 0.6716 (tt0) cc_final: 0.6471 (tt0)
REVERT: D  186 TRP cc_start: 0.7610 (m100) cc_final: 0.7181 (m100)
REVERT: D  188 LYS cc_start: 0.8233 (ttmt) cc_final: 0.7992 (ttmt)
REVERT: D  215 PHE cc_start: 0.7984 (OUTLIER) cc_final: 0.6683 (t80)
REVERT: D  220 ARG cc_start: 0.7103 (tpp80) cc_final: 0.6256 (mtm110)
REVERT: E   24 GLU cc_start: 0.5375 (OUTLIER) cc_final: 0.5133 (pm20)
REVERT: E  215 PHE cc_start: 0.7539 (OUTLIER) cc_final: 0.6349 (t80)
REVERT: E  220 ARG cc_start: 0.7447 (tpp80) cc_final: 0.6754 (mtm110)
REVERT: F   58 ILE cc_start: 0.8247 (OUTLIER) cc_final: 0.8044 (mt)
REVERT: F  161 LYS cc_start: 0.8549 (OUTLIER) cc_final: 0.8230 (ttpt)
REVERT: G  215 PHE cc_start: 0.7863 (OUTLIER) cc_final: 0.7383 (t80)
REVERT: H   22 MET cc_start: 0.7516 (OUTLIER) cc_final: 0.7081 (mmt)
REVERT: H   24 GLU cc_start: 0.4766 (OUTLIER) cc_final: 0.4516 (pm20)
REVERT: H  163 MET cc_start: 0.7835 (tpp) cc_final: 0.7628 (tpp)
REVERT: H  220 ARG cc_start: 0.7535 (tmm-80) cc_final: 0.7179 (mtm110)
REVERT: I  131 MET cc_start: 0.6837 (OUTLIER) cc_final: 0.5748 (ttt)
REVERT: I  140 MET cc_start: 0.7872 (mtt) cc_final: 0.7624 (mtp)
REVERT: J   96 ARG cc_start: 0.7168 (ptt90) cc_final: 0.6940 (ptp-170)
REVERT: J  120 LYS cc_start: 0.7695 (mttm) cc_final: 0.7044 (ttpp)
REVERT: J  220 ARG cc_start: 0.7061 (mtm110) cc_final: 0.6504 (mmt90)
REVERT: K   96 ARG cc_start: 0.7693 (tmm-80) cc_final: 0.7090 (tpp80)
REVERT: L  120 LYS cc_start: 0.7700 (mttm) cc_final: 0.7068 (ttpp)
REVERT: L  217 GLU cc_start: 0.7640 (mm-30) cc_final: 0.7253 (mt-10)
REVERT: M   22 MET cc_start: 0.7364 (ppp) cc_final: 0.6961 (ppp)
REVERT: M  111 LEU cc_start: 0.8197 (OUTLIER) cc_final: 0.7978 (mt)
REVERT: N  173 VAL cc_start: 0.8594 (t) cc_final: 0.8334 (p)
REVERT: N  207 GLU cc_start: 0.8087 (tp30) cc_final: 0.7772 (tt0)
REVERT: N  215 PHE cc_start: 0.7870 (OUTLIER) cc_final: 0.6823 (t80)
REVERT: Q  215 PHE cc_start: 0.7912 (OUTLIER) cc_final: 0.6923 (t80)
REVERT: S  120 LYS cc_start: 0.7965 (mttm) cc_final: 0.7125 (ttpp)
REVERT: S  207 GLU cc_start: 0.7926 (mm-30) cc_final: 0.7711 (tp30)
REVERT: T   59 GLU cc_start: 0.7253 (tt0) cc_final: 0.6999 (tt0)
REVERT: T  136 LEU cc_start: 0.8296 (tt) cc_final: 0.7955 (tt)
REVERT: U  120 LYS cc_start: 0.7700 (mttm) cc_final: 0.7068 (ttpp)
REVERT: U  217 GLU cc_start: 0.7639 (mm-30) cc_final: 0.7253 (mt-10)
REVERT: V   22 MET cc_start: 0.7364 (ppp) cc_final: 0.6961 (ppp)
REVERT: V  111 LEU cc_start: 0.8197 (OUTLIER) cc_final: 0.7978 (mt)
REVERT: W  173 VAL cc_start: 0.8595 (t) cc_final: 0.8334 (p)
REVERT: W  207 GLU cc_start: 0.8026 (tp30) cc_final: 0.7732 (tt0)
REVERT: W  215 PHE cc_start: 0.7872 (OUTLIER) cc_final: 0.6825 (t80)
REVERT: Y   22 MET cc_start: 0.7671 (mmt) cc_final: 0.6896 (mmt)
REVERT: Y   96 ARG cc_start: 0.7691 (tmm-80) cc_final: 0.7090 (tpp80)
REVERT: Z  215 PHE cc_start: 0.7863 (OUTLIER) cc_final: 0.7383 (t80)
REVERT: 0   22 MET cc_start: 0.7511 (OUTLIER) cc_final: 0.7054 (mmt)
REVERT: 0   24 GLU cc_start: 0.4763 (OUTLIER) cc_final: 0.4513 (pm20)
REVERT: 0  163 MET cc_start: 0.7834 (tpp) cc_final: 0.7627 (tpp)
REVERT: 0  220 ARG cc_start: 0.7534 (tmm-80) cc_final: 0.7179 (mtm110)
REVERT: 1  131 MET cc_start: 0.6837 (OUTLIER) cc_final: 0.5751 (ttt)
REVERT: 1  140 MET cc_start: 0.7872 (mtt) cc_final: 0.7622 (mtp)
REVERT: 2   96 ARG cc_start: 0.7183 (ptt90) cc_final: 0.6952 (ptp-170)
REVERT: 2  120 LYS cc_start: 0.7699 (mttm) cc_final: 0.7048 (ttpp)
REVERT: 2  220 ARG cc_start: 0.7061 (mtm110) cc_final: 0.6504 (mmt90)
REVERT: 3   58 ILE cc_start: 0.8249 (OUTLIER) cc_final: 0.8042 (mt)
REVERT: 3  161 LYS cc_start: 0.8549 (OUTLIER) cc_final: 0.8229 (ttpt)
REVERT: 5   22 MET cc_start: 0.7637 (mmt) cc_final: 0.6880 (mmt)
REVERT: 5   96 ARG cc_start: 0.7692 (tmm-80) cc_final: 0.7091 (tpp80)
REVERT: 6  120 LYS cc_start: 0.7700 (mttm) cc_final: 0.7068 (ttpp)
REVERT: 6  217 GLU cc_start: 0.7640 (mm-30) cc_final: 0.7253 (mt-10)
REVERT: 7   22 MET cc_start: 0.7364 (ppp) cc_final: 0.6960 (ppp)
REVERT: 7  111 LEU cc_start: 0.8197 (OUTLIER) cc_final: 0.7978 (mt)
REVERT: 8  207 GLU cc_start: 0.8027 (tp30) cc_final: 0.7736 (tt0)
REVERT: 8  215 PHE cc_start: 0.7847 (OUTLIER) cc_final: 0.6808 (t80)
REVERT: 9   96 ARG cc_start: 0.7183 (ptt90) cc_final: 0.6952 (ptp-170)
REVERT: 9  120 LYS cc_start: 0.7700 (mttm) cc_final: 0.7048 (ttpp)
REVERT: 9  220 ARG cc_start: 0.7062 (mtm110) cc_final: 0.6505 (mmt90)
REVERT: a   58 ILE cc_start: 0.8249 (OUTLIER) cc_final: 0.8044 (mt)
REVERT: a  161 LYS cc_start: 0.8549 (OUTLIER) cc_final: 0.8229 (ttpt)
REVERT: b  215 PHE cc_start: 0.7863 (OUTLIER) cc_final: 0.7383 (t80)
REVERT: c   22 MET cc_start: 0.7519 (OUTLIER) cc_final: 0.7081 (mmt)
REVERT: c   24 GLU cc_start: 0.4766 (OUTLIER) cc_final: 0.4516 (pm20)
REVERT: c  163 MET cc_start: 0.7834 (tpp) cc_final: 0.7627 (tpp)
REVERT: c  220 ARG cc_start: 0.7535 (tmm-80) cc_final: 0.7179 (mtm110)
REVERT: d  131 MET cc_start: 0.6837 (OUTLIER) cc_final: 0.5751 (ttt)
REVERT: d  140 MET cc_start: 0.7867 (mtt) cc_final: 0.7619 (mtp)
REVERT: e   22 MET cc_start: 0.8184 (mmm) cc_final: 0.7356 (mpp)
REVERT: e   24 GLU cc_start: 0.5246 (OUTLIER) cc_final: 0.5025 (pm20)
REVERT: e   59 GLU cc_start: 0.6974 (tt0) cc_final: 0.6743 (tt0)
REVERT: e   96 ARG cc_start: 0.7194 (ttp80) cc_final: 0.6884 (mtm180)
REVERT: e  113 GLU cc_start: 0.6957 (mp0) cc_final: 0.6644 (tp30)
REVERT: f   59 GLU cc_start: 0.6715 (tt0) cc_final: 0.6470 (tt0)
REVERT: f  186 TRP cc_start: 0.7612 (m100) cc_final: 0.7181 (m100)
REVERT: f  188 LYS cc_start: 0.8233 (ttmt) cc_final: 0.7992 (ttmt)
REVERT: f  215 PHE cc_start: 0.7984 (OUTLIER) cc_final: 0.6683 (t80)
REVERT: f  220 ARG cc_start: 0.7103 (tpp80) cc_final: 0.6256 (mtm110)
REVERT: g   24 GLU cc_start: 0.5376 (OUTLIER) cc_final: 0.5133 (pm20)
REVERT: g  215 PHE cc_start: 0.7539 (OUTLIER) cc_final: 0.6349 (t80)
REVERT: g  220 ARG cc_start: 0.7447 (tpp80) cc_final: 0.6754 (mtm110)
REVERT: h   24 GLU cc_start: 0.5005 (OUTLIER) cc_final: 0.4711 (pm20)
REVERT: h   80 MET cc_start: 0.7822 (mtp) cc_final: 0.7524 (mtm)
REVERT: h  220 ARG cc_start: 0.7318 (tpp80) cc_final: 0.6734 (mpt-90)
REVERT: i   22 MET cc_start: 0.7810 (mmm) cc_final: 0.7355 (mmt)
REVERT: i   96 ARG cc_start: 0.7582 (ttp80) cc_final: 0.7276 (tmm160)
REVERT: i  120 LYS cc_start: 0.7427 (mttm) cc_final: 0.7053 (ttpp)
REVERT: j   59 GLU cc_start: 0.6736 (tt0) cc_final: 0.6474 (tt0)
REVERT: j  186 TRP cc_start: 0.7618 (m100) cc_final: 0.7185 (m100)
REVERT: j  188 LYS cc_start: 0.8223 (ttmt) cc_final: 0.8005 (ttmt)
REVERT: j  215 PHE cc_start: 0.7982 (OUTLIER) cc_final: 0.6682 (t80)
REVERT: j  220 ARG cc_start: 0.7102 (tpp80) cc_final: 0.6254 (mtm110)
REVERT: k   24 GLU cc_start: 0.5375 (OUTLIER) cc_final: 0.5132 (pm20)
REVERT: k  215 PHE cc_start: 0.7539 (OUTLIER) cc_final: 0.6349 (t80)
REVERT: k  220 ARG cc_start: 0.7447 (tpp80) cc_final: 0.6753 (mtm110)
REVERT: l   24 GLU cc_start: 0.5005 (OUTLIER) cc_final: 0.4711 (pm20)
REVERT: l   80 MET cc_start: 0.7825 (mtp) cc_final: 0.7525 (mtm)
REVERT: l  220 ARG cc_start: 0.7318 (tpp80) cc_final: 0.6735 (mpt-90)
REVERT: m   22 MET cc_start: 0.7810 (mmm) cc_final: 0.7356 (mmt)
REVERT: m   96 ARG cc_start: 0.7583 (ttp80) cc_final: 0.7279 (tmm160)
REVERT: m  120 LYS cc_start: 0.7426 (mttm) cc_final: 0.7052 (ttpp)
REVERT: n   22 MET cc_start: 0.8180 (mmm) cc_final: 0.7360 (mpp)
REVERT: n   24 GLU cc_start: 0.5293 (OUTLIER) cc_final: 0.5072 (pm20)
REVERT: n   59 GLU cc_start: 0.6973 (tt0) cc_final: 0.6740 (tt0)
REVERT: n   96 ARG cc_start: 0.7194 (ttp80) cc_final: 0.6883 (mtm180)
REVERT: n  113 GLU cc_start: 0.6957 (mp0) cc_final: 0.6645 (tp30)
REVERT: p  120 LYS cc_start: 0.7965 (mttm) cc_final: 0.7125 (ttpp)
REVERT: p  207 GLU cc_start: 0.7925 (mm-30) cc_final: 0.7711 (tp30)
REVERT: q   59 GLU cc_start: 0.7252 (tt0) cc_final: 0.6997 (tt0)
REVERT: q  136 LEU cc_start: 0.8296 (tt) cc_final: 0.7956 (tt)
REVERT: r   84 ILE cc_start: 0.8384 (OUTLIER) cc_final: 0.7783 (mm)
REVERT: r  104 GLU cc_start: 0.7816 (pt0) cc_final: 0.7605 (pm20)
REVERT: s  215 PHE cc_start: 0.7912 (OUTLIER) cc_final: 0.6924 (t80)
REVERT: t  120 LYS cc_start: 0.7965 (mttm) cc_final: 0.7125 (ttpp)
REVERT: t  207 GLU cc_start: 0.7925 (mm-30) cc_final: 0.7711 (tp30)
REVERT: u   59 GLU cc_start: 0.7252 (tt0) cc_final: 0.6997 (tt0)
REVERT: u  136 LEU cc_start: 0.8298 (tt) cc_final: 0.7958 (tt)
REVERT: v   84 ILE cc_start: 0.8385 (OUTLIER) cc_final: 0.7783 (mm)
REVERT: v  104 GLU cc_start: 0.7817 (pt0) cc_final: 0.7605 (pm20)
REVERT: w  215 PHE cc_start: 0.7913 (OUTLIER) cc_final: 0.6925 (t80)
  outliers start: 620
  outliers final: 425
  residues processed: 1973
  average time/residue: 0.7662
  time to fit residues: 2669.4731
Evaluate side-chains
  1839 residues out of total 9840 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 469
    poor density    : 1370
  time to evaluate  : 7.788 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   24 GLU
Chi-restraints excluded: chain A residue   34 VAL
Chi-restraints excluded: chain A residue   61 THR
Chi-restraints excluded: chain A residue   99 VAL
Chi-restraints excluded: chain A residue  110 HIS
Chi-restraints excluded: chain A residue  173 VAL
Chi-restraints excluded: chain A residue  179 ASN
Chi-restraints excluded: chain B residue   24 GLU
Chi-restraints excluded: chain B residue   35 LEU
Chi-restraints excluded: chain B residue   99 VAL
Chi-restraints excluded: chain B residue  111 LEU
Chi-restraints excluded: chain B residue  160 VAL
Chi-restraints excluded: chain B residue  170 VAL
Chi-restraints excluded: chain B residue  179 ASN
Chi-restraints excluded: chain B residue  181 ASP
Chi-restraints excluded: chain B residue  196 VAL
Chi-restraints excluded: chain C residue   24 GLU
Chi-restraints excluded: chain C residue   35 LEU
Chi-restraints excluded: chain C residue  111 LEU
Chi-restraints excluded: chain C residue  154 VAL
Chi-restraints excluded: chain C residue  179 ASN
Chi-restraints excluded: chain C residue  181 ASP
Chi-restraints excluded: chain C residue  185 GLU
Chi-restraints excluded: chain C residue  194 VAL
Chi-restraints excluded: chain C residue  196 VAL
Chi-restraints excluded: chain D residue   31 ILE
Chi-restraints excluded: chain D residue   89 VAL
Chi-restraints excluded: chain D residue  111 LEU
Chi-restraints excluded: chain D residue  154 VAL
Chi-restraints excluded: chain D residue  181 ASP
Chi-restraints excluded: chain D residue  194 VAL
Chi-restraints excluded: chain D residue  196 VAL
Chi-restraints excluded: chain D residue  215 PHE
Chi-restraints excluded: chain D residue  219 ILE
Chi-restraints excluded: chain E residue   24 GLU
Chi-restraints excluded: chain E residue   34 VAL
Chi-restraints excluded: chain E residue   92 VAL
Chi-restraints excluded: chain E residue  111 LEU
Chi-restraints excluded: chain E residue  145 THR
Chi-restraints excluded: chain E residue  154 VAL
Chi-restraints excluded: chain E residue  170 VAL
Chi-restraints excluded: chain E residue  179 ASN
Chi-restraints excluded: chain E residue  215 PHE
Chi-restraints excluded: chain E residue  219 ILE
Chi-restraints excluded: chain F residue   58 ILE
Chi-restraints excluded: chain F residue   61 THR
Chi-restraints excluded: chain F residue   74 LEU
Chi-restraints excluded: chain F residue  110 HIS
Chi-restraints excluded: chain F residue  111 LEU
Chi-restraints excluded: chain F residue  124 VAL
Chi-restraints excluded: chain F residue  145 THR
Chi-restraints excluded: chain F residue  161 LYS
Chi-restraints excluded: chain F residue  170 VAL
Chi-restraints excluded: chain F residue  178 VAL
Chi-restraints excluded: chain F residue  181 ASP
Chi-restraints excluded: chain F residue  204 THR
Chi-restraints excluded: chain F residue  222 CYS
Chi-restraints excluded: chain G residue   39 SER
Chi-restraints excluded: chain G residue   61 THR
Chi-restraints excluded: chain G residue   89 VAL
Chi-restraints excluded: chain G residue  111 LEU
Chi-restraints excluded: chain G residue  124 VAL
Chi-restraints excluded: chain G residue  154 VAL
Chi-restraints excluded: chain G residue  215 PHE
Chi-restraints excluded: chain G residue  222 CYS
Chi-restraints excluded: chain H residue   22 MET
Chi-restraints excluded: chain H residue   24 GLU
Chi-restraints excluded: chain H residue   34 VAL
Chi-restraints excluded: chain H residue   92 VAL
Chi-restraints excluded: chain H residue  101 SER
Chi-restraints excluded: chain H residue  110 HIS
Chi-restraints excluded: chain H residue  154 VAL
Chi-restraints excluded: chain H residue  215 PHE
Chi-restraints excluded: chain I residue   22 MET
Chi-restraints excluded: chain I residue   31 ILE
Chi-restraints excluded: chain I residue   34 VAL
Chi-restraints excluded: chain I residue   38 ASN
Chi-restraints excluded: chain I residue  110 HIS
Chi-restraints excluded: chain I residue  131 MET
Chi-restraints excluded: chain I residue  178 VAL
Chi-restraints excluded: chain J residue   31 ILE
Chi-restraints excluded: chain J residue   38 ASN
Chi-restraints excluded: chain J residue   69 THR
Chi-restraints excluded: chain J residue  160 VAL
Chi-restraints excluded: chain J residue  170 VAL
Chi-restraints excluded: chain J residue  183 VAL
Chi-restraints excluded: chain K residue   34 VAL
Chi-restraints excluded: chain K residue   61 THR
Chi-restraints excluded: chain K residue   69 THR
Chi-restraints excluded: chain K residue   99 VAL
Chi-restraints excluded: chain K residue  110 HIS
Chi-restraints excluded: chain K residue  111 LEU
Chi-restraints excluded: chain K residue  115 ILE
Chi-restraints excluded: chain K residue  154 VAL
Chi-restraints excluded: chain K residue  181 ASP
Chi-restraints excluded: chain K residue  196 VAL
Chi-restraints excluded: chain L residue  145 THR
Chi-restraints excluded: chain L residue  178 VAL
Chi-restraints excluded: chain L residue  181 ASP
Chi-restraints excluded: chain L residue  192 LEU
Chi-restraints excluded: chain M residue   31 ILE
Chi-restraints excluded: chain M residue  111 LEU
Chi-restraints excluded: chain M residue  124 VAL
Chi-restraints excluded: chain M residue  136 LEU
Chi-restraints excluded: chain M residue  181 ASP
Chi-restraints excluded: chain M residue  185 GLU
Chi-restraints excluded: chain M residue  196 VAL
Chi-restraints excluded: chain N residue   25 LEU
Chi-restraints excluded: chain N residue   89 VAL
Chi-restraints excluded: chain N residue  111 LEU
Chi-restraints excluded: chain N residue  124 VAL
Chi-restraints excluded: chain N residue  131 MET
Chi-restraints excluded: chain N residue  154 VAL
Chi-restraints excluded: chain N residue  179 ASN
Chi-restraints excluded: chain N residue  215 PHE
Chi-restraints excluded: chain O residue   89 VAL
Chi-restraints excluded: chain O residue  111 LEU
Chi-restraints excluded: chain O residue  145 THR
Chi-restraints excluded: chain O residue  154 VAL
Chi-restraints excluded: chain O residue  183 VAL
Chi-restraints excluded: chain O residue  194 VAL
Chi-restraints excluded: chain O residue  219 ILE
Chi-restraints excluded: chain P residue   31 ILE
Chi-restraints excluded: chain P residue   61 THR
Chi-restraints excluded: chain P residue  110 HIS
Chi-restraints excluded: chain P residue  124 VAL
Chi-restraints excluded: chain P residue  145 THR
Chi-restraints excluded: chain Q residue   31 ILE
Chi-restraints excluded: chain Q residue   32 VAL
Chi-restraints excluded: chain Q residue   62 PHE
Chi-restraints excluded: chain Q residue   74 LEU
Chi-restraints excluded: chain Q residue   84 ILE
Chi-restraints excluded: chain Q residue   92 VAL
Chi-restraints excluded: chain Q residue  124 VAL
Chi-restraints excluded: chain Q residue  179 ASN
Chi-restraints excluded: chain Q residue  215 PHE
Chi-restraints excluded: chain Q residue  222 CYS
Chi-restraints excluded: chain R residue  215 PHE
Chi-restraints excluded: chain S residue   31 ILE
Chi-restraints excluded: chain S residue   38 ASN
Chi-restraints excluded: chain S residue   62 PHE
Chi-restraints excluded: chain S residue   69 THR
Chi-restraints excluded: chain S residue   77 LEU
Chi-restraints excluded: chain S residue  110 HIS
Chi-restraints excluded: chain S residue  131 MET
Chi-restraints excluded: chain S residue  160 VAL
Chi-restraints excluded: chain S residue  178 VAL
Chi-restraints excluded: chain S residue  196 VAL
Chi-restraints excluded: chain T residue   31 ILE
Chi-restraints excluded: chain T residue   38 ASN
Chi-restraints excluded: chain T residue  110 HIS
Chi-restraints excluded: chain T residue  111 LEU
Chi-restraints excluded: chain T residue  147 LEU
Chi-restraints excluded: chain T residue  160 VAL
Chi-restraints excluded: chain U residue  145 THR
Chi-restraints excluded: chain U residue  178 VAL
Chi-restraints excluded: chain U residue  181 ASP
Chi-restraints excluded: chain U residue  192 LEU
Chi-restraints excluded: chain V residue   31 ILE
Chi-restraints excluded: chain V residue  111 LEU
Chi-restraints excluded: chain V residue  124 VAL
Chi-restraints excluded: chain V residue  136 LEU
Chi-restraints excluded: chain V residue  181 ASP
Chi-restraints excluded: chain V residue  185 GLU
Chi-restraints excluded: chain V residue  196 VAL
Chi-restraints excluded: chain W residue   25 LEU
Chi-restraints excluded: chain W residue   89 VAL
Chi-restraints excluded: chain W residue  111 LEU
Chi-restraints excluded: chain W residue  124 VAL
Chi-restraints excluded: chain W residue  154 VAL
Chi-restraints excluded: chain W residue  179 ASN
Chi-restraints excluded: chain W residue  215 PHE
Chi-restraints excluded: chain X residue   89 VAL
Chi-restraints excluded: chain X residue  111 LEU
Chi-restraints excluded: chain X residue  145 THR
Chi-restraints excluded: chain X residue  154 VAL
Chi-restraints excluded: chain X residue  183 VAL
Chi-restraints excluded: chain X residue  194 VAL
Chi-restraints excluded: chain X residue  219 ILE
Chi-restraints excluded: chain Y residue   34 VAL
Chi-restraints excluded: chain Y residue   61 THR
Chi-restraints excluded: chain Y residue   69 THR
Chi-restraints excluded: chain Y residue   99 VAL
Chi-restraints excluded: chain Y residue  110 HIS
Chi-restraints excluded: chain Y residue  111 LEU
Chi-restraints excluded: chain Y residue  115 ILE
Chi-restraints excluded: chain Y residue  154 VAL
Chi-restraints excluded: chain Y residue  181 ASP
Chi-restraints excluded: chain Y residue  196 VAL
Chi-restraints excluded: chain Z residue   39 SER
Chi-restraints excluded: chain Z residue   61 THR
Chi-restraints excluded: chain Z residue   89 VAL
Chi-restraints excluded: chain Z residue  111 LEU
Chi-restraints excluded: chain Z residue  124 VAL
Chi-restraints excluded: chain Z residue  154 VAL
Chi-restraints excluded: chain Z residue  215 PHE
Chi-restraints excluded: chain Z residue  222 CYS
Chi-restraints excluded: chain 0 residue   22 MET
Chi-restraints excluded: chain 0 residue   24 GLU
Chi-restraints excluded: chain 0 residue   34 VAL
Chi-restraints excluded: chain 0 residue   92 VAL
Chi-restraints excluded: chain 0 residue  101 SER
Chi-restraints excluded: chain 0 residue  110 HIS
Chi-restraints excluded: chain 0 residue  154 VAL
Chi-restraints excluded: chain 0 residue  215 PHE
Chi-restraints excluded: chain 1 residue   22 MET
Chi-restraints excluded: chain 1 residue   31 ILE
Chi-restraints excluded: chain 1 residue   34 VAL
Chi-restraints excluded: chain 1 residue   38 ASN
Chi-restraints excluded: chain 1 residue  110 HIS
Chi-restraints excluded: chain 1 residue  127 MET
Chi-restraints excluded: chain 1 residue  131 MET
Chi-restraints excluded: chain 1 residue  178 VAL
Chi-restraints excluded: chain 2 residue   31 ILE
Chi-restraints excluded: chain 2 residue   38 ASN
Chi-restraints excluded: chain 2 residue  160 VAL
Chi-restraints excluded: chain 2 residue  170 VAL
Chi-restraints excluded: chain 2 residue  183 VAL
Chi-restraints excluded: chain 3 residue   58 ILE
Chi-restraints excluded: chain 3 residue   61 THR
Chi-restraints excluded: chain 3 residue   74 LEU
Chi-restraints excluded: chain 3 residue  110 HIS
Chi-restraints excluded: chain 3 residue  111 LEU
Chi-restraints excluded: chain 3 residue  124 VAL
Chi-restraints excluded: chain 3 residue  145 THR
Chi-restraints excluded: chain 3 residue  161 LYS
Chi-restraints excluded: chain 3 residue  170 VAL
Chi-restraints excluded: chain 3 residue  178 VAL
Chi-restraints excluded: chain 3 residue  181 ASP
Chi-restraints excluded: chain 3 residue  204 THR
Chi-restraints excluded: chain 3 residue  222 CYS
Chi-restraints excluded: chain 4 residue   89 VAL
Chi-restraints excluded: chain 4 residue  111 LEU
Chi-restraints excluded: chain 4 residue  140 MET
Chi-restraints excluded: chain 4 residue  145 THR
Chi-restraints excluded: chain 4 residue  154 VAL
Chi-restraints excluded: chain 4 residue  183 VAL
Chi-restraints excluded: chain 4 residue  194 VAL
Chi-restraints excluded: chain 4 residue  219 ILE
Chi-restraints excluded: chain 5 residue   34 VAL
Chi-restraints excluded: chain 5 residue   61 THR
Chi-restraints excluded: chain 5 residue   69 THR
Chi-restraints excluded: chain 5 residue   99 VAL
Chi-restraints excluded: chain 5 residue  110 HIS
Chi-restraints excluded: chain 5 residue  111 LEU
Chi-restraints excluded: chain 5 residue  115 ILE
Chi-restraints excluded: chain 5 residue  127 MET
Chi-restraints excluded: chain 5 residue  154 VAL
Chi-restraints excluded: chain 5 residue  181 ASP
Chi-restraints excluded: chain 5 residue  196 VAL
Chi-restraints excluded: chain 6 residue  145 THR
Chi-restraints excluded: chain 6 residue  178 VAL
Chi-restraints excluded: chain 6 residue  181 ASP
Chi-restraints excluded: chain 6 residue  192 LEU
Chi-restraints excluded: chain 7 residue   31 ILE
Chi-restraints excluded: chain 7 residue  111 LEU
Chi-restraints excluded: chain 7 residue  124 VAL
Chi-restraints excluded: chain 7 residue  136 LEU
Chi-restraints excluded: chain 7 residue  181 ASP
Chi-restraints excluded: chain 7 residue  185 GLU
Chi-restraints excluded: chain 7 residue  196 VAL
Chi-restraints excluded: chain 8 residue   25 LEU
Chi-restraints excluded: chain 8 residue   89 VAL
Chi-restraints excluded: chain 8 residue  111 LEU
Chi-restraints excluded: chain 8 residue  124 VAL
Chi-restraints excluded: chain 8 residue  131 MET
Chi-restraints excluded: chain 8 residue  154 VAL
Chi-restraints excluded: chain 8 residue  179 ASN
Chi-restraints excluded: chain 8 residue  215 PHE
Chi-restraints excluded: chain 9 residue   31 ILE
Chi-restraints excluded: chain 9 residue   38 ASN
Chi-restraints excluded: chain 9 residue  160 VAL
Chi-restraints excluded: chain 9 residue  170 VAL
Chi-restraints excluded: chain 9 residue  183 VAL
Chi-restraints excluded: chain a residue   58 ILE
Chi-restraints excluded: chain a residue   61 THR
Chi-restraints excluded: chain a residue   74 LEU
Chi-restraints excluded: chain a residue  110 HIS
Chi-restraints excluded: chain a residue  111 LEU
Chi-restraints excluded: chain a residue  124 VAL
Chi-restraints excluded: chain a residue  145 THR
Chi-restraints excluded: chain a residue  161 LYS
Chi-restraints excluded: chain a residue  170 VAL
Chi-restraints excluded: chain a residue  178 VAL
Chi-restraints excluded: chain a residue  181 ASP
Chi-restraints excluded: chain a residue  204 THR
Chi-restraints excluded: chain a residue  222 CYS
Chi-restraints excluded: chain b residue   39 SER
Chi-restraints excluded: chain b residue   61 THR
Chi-restraints excluded: chain b residue   89 VAL
Chi-restraints excluded: chain b residue  111 LEU
Chi-restraints excluded: chain b residue  124 VAL
Chi-restraints excluded: chain b residue  154 VAL
Chi-restraints excluded: chain b residue  215 PHE
Chi-restraints excluded: chain b residue  222 CYS
Chi-restraints excluded: chain c residue   22 MET
Chi-restraints excluded: chain c residue   24 GLU
Chi-restraints excluded: chain c residue   34 VAL
Chi-restraints excluded: chain c residue   92 VAL
Chi-restraints excluded: chain c residue  101 SER
Chi-restraints excluded: chain c residue  110 HIS
Chi-restraints excluded: chain c residue  154 VAL
Chi-restraints excluded: chain c residue  215 PHE
Chi-restraints excluded: chain d residue   22 MET
Chi-restraints excluded: chain d residue   31 ILE
Chi-restraints excluded: chain d residue   34 VAL
Chi-restraints excluded: chain d residue   38 ASN
Chi-restraints excluded: chain d residue  110 HIS
Chi-restraints excluded: chain d residue  127 MET
Chi-restraints excluded: chain d residue  131 MET
Chi-restraints excluded: chain d residue  178 VAL
Chi-restraints excluded: chain e residue   24 GLU
Chi-restraints excluded: chain e residue   35 LEU
Chi-restraints excluded: chain e residue  111 LEU
Chi-restraints excluded: chain e residue  154 VAL
Chi-restraints excluded: chain e residue  179 ASN
Chi-restraints excluded: chain e residue  181 ASP
Chi-restraints excluded: chain e residue  185 GLU
Chi-restraints excluded: chain e residue  194 VAL
Chi-restraints excluded: chain e residue  196 VAL
Chi-restraints excluded: chain f residue   31 ILE
Chi-restraints excluded: chain f residue   89 VAL
Chi-restraints excluded: chain f residue  111 LEU
Chi-restraints excluded: chain f residue  137 VAL
Chi-restraints excluded: chain f residue  154 VAL
Chi-restraints excluded: chain f residue  181 ASP
Chi-restraints excluded: chain f residue  194 VAL
Chi-restraints excluded: chain f residue  196 VAL
Chi-restraints excluded: chain f residue  215 PHE
Chi-restraints excluded: chain f residue  219 ILE
Chi-restraints excluded: chain g residue   24 GLU
Chi-restraints excluded: chain g residue   34 VAL
Chi-restraints excluded: chain g residue   92 VAL
Chi-restraints excluded: chain g residue  111 LEU
Chi-restraints excluded: chain g residue  145 THR
Chi-restraints excluded: chain g residue  154 VAL
Chi-restraints excluded: chain g residue  170 VAL
Chi-restraints excluded: chain g residue  179 ASN
Chi-restraints excluded: chain g residue  215 PHE
Chi-restraints excluded: chain g residue  219 ILE
Chi-restraints excluded: chain h residue   24 GLU
Chi-restraints excluded: chain h residue   34 VAL
Chi-restraints excluded: chain h residue   61 THR
Chi-restraints excluded: chain h residue   99 VAL
Chi-restraints excluded: chain h residue  110 HIS
Chi-restraints excluded: chain h residue  173 VAL
Chi-restraints excluded: chain h residue  179 ASN
Chi-restraints excluded: chain i residue   24 GLU
Chi-restraints excluded: chain i residue   35 LEU
Chi-restraints excluded: chain i residue   99 VAL
Chi-restraints excluded: chain i residue  111 LEU
Chi-restraints excluded: chain i residue  160 VAL
Chi-restraints excluded: chain i residue  170 VAL
Chi-restraints excluded: chain i residue  179 ASN
Chi-restraints excluded: chain i residue  181 ASP
Chi-restraints excluded: chain i residue  196 VAL
Chi-restraints excluded: chain j residue   31 ILE
Chi-restraints excluded: chain j residue   89 VAL
Chi-restraints excluded: chain j residue  111 LEU
Chi-restraints excluded: chain j residue  137 VAL
Chi-restraints excluded: chain j residue  154 VAL
Chi-restraints excluded: chain j residue  173 VAL
Chi-restraints excluded: chain j residue  181 ASP
Chi-restraints excluded: chain j residue  194 VAL
Chi-restraints excluded: chain j residue  196 VAL
Chi-restraints excluded: chain j residue  215 PHE
Chi-restraints excluded: chain j residue  219 ILE
Chi-restraints excluded: chain k residue   24 GLU
Chi-restraints excluded: chain k residue   34 VAL
Chi-restraints excluded: chain k residue   92 VAL
Chi-restraints excluded: chain k residue  111 LEU
Chi-restraints excluded: chain k residue  145 THR
Chi-restraints excluded: chain k residue  154 VAL
Chi-restraints excluded: chain k residue  170 VAL
Chi-restraints excluded: chain k residue  179 ASN
Chi-restraints excluded: chain k residue  215 PHE
Chi-restraints excluded: chain k residue  219 ILE
Chi-restraints excluded: chain l residue   24 GLU
Chi-restraints excluded: chain l residue   34 VAL
Chi-restraints excluded: chain l residue   61 THR
Chi-restraints excluded: chain l residue   99 VAL
Chi-restraints excluded: chain l residue  110 HIS
Chi-restraints excluded: chain l residue  173 VAL
Chi-restraints excluded: chain l residue  179 ASN
Chi-restraints excluded: chain m residue   24 GLU
Chi-restraints excluded: chain m residue   35 LEU
Chi-restraints excluded: chain m residue   99 VAL
Chi-restraints excluded: chain m residue  111 LEU
Chi-restraints excluded: chain m residue  160 VAL
Chi-restraints excluded: chain m residue  170 VAL
Chi-restraints excluded: chain m residue  179 ASN
Chi-restraints excluded: chain m residue  181 ASP
Chi-restraints excluded: chain m residue  196 VAL
Chi-restraints excluded: chain n residue   24 GLU
Chi-restraints excluded: chain n residue   35 LEU
Chi-restraints excluded: chain n residue  111 LEU
Chi-restraints excluded: chain n residue  154 VAL
Chi-restraints excluded: chain n residue  179 ASN
Chi-restraints excluded: chain n residue  181 ASP
Chi-restraints excluded: chain n residue  185 GLU
Chi-restraints excluded: chain n residue  194 VAL
Chi-restraints excluded: chain n residue  196 VAL
Chi-restraints excluded: chain o residue   31 ILE
Chi-restraints excluded: chain o residue  215 PHE
Chi-restraints excluded: chain p residue   31 ILE
Chi-restraints excluded: chain p residue   38 ASN
Chi-restraints excluded: chain p residue   62 PHE
Chi-restraints excluded: chain p residue   69 THR
Chi-restraints excluded: chain p residue   77 LEU
Chi-restraints excluded: chain p residue  110 HIS
Chi-restraints excluded: chain p residue  131 MET
Chi-restraints excluded: chain p residue  160 VAL
Chi-restraints excluded: chain p residue  178 VAL
Chi-restraints excluded: chain p residue  196 VAL
Chi-restraints excluded: chain q residue   31 ILE
Chi-restraints excluded: chain q residue   38 ASN
Chi-restraints excluded: chain q residue  110 HIS
Chi-restraints excluded: chain q residue  111 LEU
Chi-restraints excluded: chain q residue  147 LEU
Chi-restraints excluded: chain q residue  160 VAL
Chi-restraints excluded: chain r residue   31 ILE
Chi-restraints excluded: chain r residue   61 THR
Chi-restraints excluded: chain r residue   84 ILE
Chi-restraints excluded: chain r residue  110 HIS
Chi-restraints excluded: chain r residue  124 VAL
Chi-restraints excluded: chain r residue  145 THR
Chi-restraints excluded: chain s residue   31 ILE
Chi-restraints excluded: chain s residue   32 VAL
Chi-restraints excluded: chain s residue   62 PHE
Chi-restraints excluded: chain s residue   74 LEU
Chi-restraints excluded: chain s residue   84 ILE
Chi-restraints excluded: chain s residue   92 VAL
Chi-restraints excluded: chain s residue  124 VAL
Chi-restraints excluded: chain s residue  179 ASN
Chi-restraints excluded: chain s residue  215 PHE
Chi-restraints excluded: chain s residue  222 CYS
Chi-restraints excluded: chain t residue   31 ILE
Chi-restraints excluded: chain t residue   38 ASN
Chi-restraints excluded: chain t residue   62 PHE
Chi-restraints excluded: chain t residue   69 THR
Chi-restraints excluded: chain t residue   77 LEU
Chi-restraints excluded: chain t residue  110 HIS
Chi-restraints excluded: chain t residue  131 MET
Chi-restraints excluded: chain t residue  160 VAL
Chi-restraints excluded: chain t residue  178 VAL
Chi-restraints excluded: chain t residue  196 VAL
Chi-restraints excluded: chain u residue   31 ILE
Chi-restraints excluded: chain u residue   38 ASN
Chi-restraints excluded: chain u residue  110 HIS
Chi-restraints excluded: chain u residue  111 LEU
Chi-restraints excluded: chain u residue  147 LEU
Chi-restraints excluded: chain u residue  160 VAL
Chi-restraints excluded: chain v residue   31 ILE
Chi-restraints excluded: chain v residue   61 THR
Chi-restraints excluded: chain v residue   84 ILE
Chi-restraints excluded: chain v residue  110 HIS
Chi-restraints excluded: chain v residue  124 VAL
Chi-restraints excluded: chain v residue  145 THR
Chi-restraints excluded: chain w residue   31 ILE
Chi-restraints excluded: chain w residue   32 VAL
Chi-restraints excluded: chain w residue   62 PHE
Chi-restraints excluded: chain w residue   74 LEU
Chi-restraints excluded: chain w residue   84 ILE
Chi-restraints excluded: chain w residue   92 VAL
Chi-restraints excluded: chain w residue  124 VAL
Chi-restraints excluded: chain w residue  179 ASN
Chi-restraints excluded: chain w residue  215 PHE
Chi-restraints excluded: chain w residue  222 CYS
Chi-restraints excluded: chain x residue  215 PHE
Rotamers are restrained with sigma=2.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 1200
   random chunks:
   chunk 1119 optimal weight:    0.9990
   chunk 130 optimal weight:    0.0770
   chunk 661 optimal weight:    0.1980
   chunk 847 optimal weight:    2.9990
   chunk 656 optimal weight:    0.9990
   chunk 977 optimal weight:    1.9990
   chunk 648 optimal weight:    0.6980
   chunk 1156 optimal weight:    1.9990
   chunk 723 optimal weight:    5.9990
   chunk 705 optimal weight:    7.9990
   chunk 533 optimal weight:    0.6980
   overall best weight:    0.5340

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

Flipped N/Q/H residues before XYZ refinement:
C 110 HIS
** D 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** F 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** N 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
O 110 HIS
P  56 HIS
** R 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** W 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
X 110 HIS
** 3 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
4 110 HIS
** 8 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** a 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** e 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** f 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** j 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** n 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** o 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
r  56 HIS
v  56 HIS
** x 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 7

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7429
moved from start:          0.7938

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.038  92820  Z= 0.170
  Angle     :  0.537  10.166 125160  Z= 0.269
  Chirality :  0.046   0.151  14700
  Planarity :  0.005   0.043  15720
  Dihedral  :  4.425  28.492  12240
  Min Nonbonded Distance : 2.169

Molprobity Statistics.
  All-atom Clashscore : 11.91
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  2.77 %
    Favored  : 97.23 %
  Rotamer:
    Outliers :  5.45 %
    Allowed  : 29.83 %
    Favored  : 64.73 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 10.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -0.00 (0.08), residues: 11940
  helix:  1.52 (0.07), residues: 6060
  sheet: -1.95 (0.11), residues: 2040
  loop : -1.27 (0.10), residues: 3840

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.008   0.001   TRP 8 186 
 HIS   0.010   0.001   HIS Z 110 
 PHE   0.023   0.001   PHE N 118 
 TYR   0.014   0.002   TYR x 126 
 ARG   0.010   0.001   ARG d 220 

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

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

  23880 Ramachandran restraints generated.
    11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  23880 Ramachandran restraints generated.
    11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  2017 residues out of total 9840 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 536
    poor density    : 1481
  time to evaluate  : 7.915 
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: A   24 GLU cc_start: 0.4919 (OUTLIER) cc_final: 0.4606 (pm20)
REVERT: A   80 MET cc_start: 0.7833 (mtp) cc_final: 0.7514 (mtm)
REVERT: A  220 ARG cc_start: 0.7247 (tpp80) cc_final: 0.6777 (mpt-90)
REVERT: B   22 MET cc_start: 0.7772 (mmm) cc_final: 0.7299 (mmp)
REVERT: B   96 ARG cc_start: 0.7583 (ttp80) cc_final: 0.7352 (tmm160)
REVERT: B  105 PHE cc_start: 0.7461 (m-10) cc_final: 0.7188 (m-10)
REVERT: B  120 LYS cc_start: 0.7531 (mttm) cc_final: 0.7217 (ttpp)
REVERT: C   22 MET cc_start: 0.8207 (mmm) cc_final: 0.7384 (mpp)
REVERT: C   24 GLU cc_start: 0.5182 (OUTLIER) cc_final: 0.4949 (pm20)
REVERT: C   59 GLU cc_start: 0.6978 (tt0) cc_final: 0.6752 (tt0)
REVERT: C  113 GLU cc_start: 0.6879 (mp0) cc_final: 0.6521 (tp30)
REVERT: D   59 GLU cc_start: 0.6659 (tt0) cc_final: 0.6358 (tt0)
REVERT: D  118 PHE cc_start: 0.7804 (t80) cc_final: 0.7496 (t80)
REVERT: D  120 LYS cc_start: 0.7487 (ttpt) cc_final: 0.7249 (ttpp)
REVERT: D  186 TRP cc_start: 0.7568 (m100) cc_final: 0.7138 (m100)
REVERT: D  188 LYS cc_start: 0.8190 (ttmt) cc_final: 0.7951 (ttmt)
REVERT: D  210 GLU cc_start: 0.7001 (mt-10) cc_final: 0.6530 (mt-10)
REVERT: D  215 PHE cc_start: 0.7908 (OUTLIER) cc_final: 0.7030 (t80)
REVERT: D  220 ARG cc_start: 0.6972 (tpp80) cc_final: 0.6240 (mtm110)
REVERT: E  215 PHE cc_start: 0.7474 (OUTLIER) cc_final: 0.6313 (t80)
REVERT: E  220 ARG cc_start: 0.7343 (tpp80) cc_final: 0.6586 (mtm110)
REVERT: F  161 LYS cc_start: 0.8506 (OUTLIER) cc_final: 0.8207 (ttpt)
REVERT: H   22 MET cc_start: 0.7588 (OUTLIER) cc_final: 0.7083 (mmt)
REVERT: H   24 GLU cc_start: 0.4446 (OUTLIER) cc_final: 0.4201 (pm20)
REVERT: H  220 ARG cc_start: 0.7680 (tmm-80) cc_final: 0.7260 (mtm110)
REVERT: I  131 MET cc_start: 0.6666 (OUTLIER) cc_final: 0.5617 (ttt)
REVERT: J   96 ARG cc_start: 0.7184 (ptt90) cc_final: 0.6915 (ptp-170)
REVERT: J  120 LYS cc_start: 0.7675 (mttm) cc_final: 0.7078 (ttpp)
REVERT: J  220 ARG cc_start: 0.6985 (mtm110) cc_final: 0.6513 (mmt90)
REVERT: K   96 ARG cc_start: 0.7680 (tmm-80) cc_final: 0.7087 (tpp80)
REVERT: L  120 LYS cc_start: 0.7598 (mttm) cc_final: 0.7006 (ttpp)
REVERT: L  217 GLU cc_start: 0.7576 (mm-30) cc_final: 0.7222 (mt-10)
REVERT: M   22 MET cc_start: 0.7233 (ppp) cc_final: 0.6816 (ppp)
REVERT: M   96 ARG cc_start: 0.6536 (ptp-110) cc_final: 0.6197 (ptm160)
REVERT: N  173 VAL cc_start: 0.8573 (t) cc_final: 0.8324 (p)
REVERT: N  185 GLU cc_start: 0.7016 (tm-30) cc_final: 0.6547 (tt0)
REVERT: N  207 GLU cc_start: 0.7895 (tp30) cc_final: 0.7656 (tt0)
REVERT: N  215 PHE cc_start: 0.7795 (OUTLIER) cc_final: 0.6694 (t80)
REVERT: O  215 PHE cc_start: 0.7644 (OUTLIER) cc_final: 0.7276 (t80)
REVERT: P   59 GLU cc_start: 0.6933 (tt0) cc_final: 0.6666 (tt0)
REVERT: Q  215 PHE cc_start: 0.7878 (OUTLIER) cc_final: 0.6898 (t80)
REVERT: S  120 LYS cc_start: 0.7995 (mttm) cc_final: 0.7159 (ttpp)
REVERT: S  207 GLU cc_start: 0.7898 (mm-30) cc_final: 0.7694 (tp30)
REVERT: U  120 LYS cc_start: 0.7597 (mttm) cc_final: 0.7007 (ttpp)
REVERT: U  217 GLU cc_start: 0.7576 (mm-30) cc_final: 0.7221 (mt-10)
REVERT: V   22 MET cc_start: 0.7233 (ppp) cc_final: 0.6815 (ppp)
REVERT: V   96 ARG cc_start: 0.6536 (ptp-110) cc_final: 0.6197 (ptm160)
REVERT: W  173 VAL cc_start: 0.8574 (t) cc_final: 0.8319 (p)
REVERT: W  185 GLU cc_start: 0.7017 (tm-30) cc_final: 0.6547 (tt0)
REVERT: W  207 GLU cc_start: 0.7893 (tp30) cc_final: 0.7653 (tt0)
REVERT: W  215 PHE cc_start: 0.7795 (OUTLIER) cc_final: 0.6695 (t80)
REVERT: X  215 PHE cc_start: 0.7642 (OUTLIER) cc_final: 0.7272 (t80)
REVERT: Y   96 ARG cc_start: 0.7655 (tmm-80) cc_final: 0.7059 (tpp80)
REVERT: 0   22 MET cc_start: 0.7569 (OUTLIER) cc_final: 0.7068 (mmt)
REVERT: 0   24 GLU cc_start: 0.4443 (OUTLIER) cc_final: 0.4197 (pm20)
REVERT: 0  220 ARG cc_start: 0.7680 (tmm-80) cc_final: 0.7260 (mtm110)
REVERT: 1  131 MET cc_start: 0.6671 (OUTLIER) cc_final: 0.5617 (ttt)
REVERT: 2   96 ARG cc_start: 0.7197 (ptt90) cc_final: 0.6966 (ptp-170)
REVERT: 2  120 LYS cc_start: 0.7681 (mttm) cc_final: 0.7090 (ttpp)
REVERT: 2  220 ARG cc_start: 0.6985 (mtm110) cc_final: 0.6513 (mmt90)
REVERT: 3  161 LYS cc_start: 0.8505 (OUTLIER) cc_final: 0.8206 (ttpt)
REVERT: 5   96 ARG cc_start: 0.7656 (tmm-80) cc_final: 0.7065 (tpp80)
REVERT: 6  120 LYS cc_start: 0.7598 (mttm) cc_final: 0.7006 (ttpp)
REVERT: 6  217 GLU cc_start: 0.7576 (mm-30) cc_final: 0.7220 (mt-10)
REVERT: 7   22 MET cc_start: 0.7232 (ppp) cc_final: 0.6814 (ppp)
REVERT: 7   96 ARG cc_start: 0.6536 (ptp-110) cc_final: 0.6197 (ptm160)
REVERT: 8  173 VAL cc_start: 0.8561 (t) cc_final: 0.8316 (p)
REVERT: 8  207 GLU cc_start: 0.7892 (tp30) cc_final: 0.7656 (tt0)
REVERT: 8  215 PHE cc_start: 0.7783 (OUTLIER) cc_final: 0.6691 (t80)
REVERT: 9   96 ARG cc_start: 0.7198 (ptt90) cc_final: 0.6966 (ptp-170)
REVERT: 9  120 LYS cc_start: 0.7682 (mttm) cc_final: 0.7089 (ttpp)
REVERT: 9  220 ARG cc_start: 0.6986 (mtm110) cc_final: 0.6514 (mmt90)
REVERT: a  161 LYS cc_start: 0.8506 (OUTLIER) cc_final: 0.8207 (ttpt)
REVERT: c   22 MET cc_start: 0.7588 (OUTLIER) cc_final: 0.7084 (mmt)
REVERT: c   24 GLU cc_start: 0.4446 (OUTLIER) cc_final: 0.4201 (pm20)
REVERT: c  220 ARG cc_start: 0.7680 (tmm-80) cc_final: 0.7259 (mtm110)
REVERT: d  131 MET cc_start: 0.6681 (OUTLIER) cc_final: 0.5639 (ttt)
REVERT: e   22 MET cc_start: 0.8134 (mmm) cc_final: 0.7299 (mpp)
REVERT: e   24 GLU cc_start: 0.5173 (OUTLIER) cc_final: 0.4941 (pm20)
REVERT: e   59 GLU cc_start: 0.6978 (tt0) cc_final: 0.6753 (tt0)
REVERT: e  113 GLU cc_start: 0.6916 (mp0) cc_final: 0.6546 (tp30)
REVERT: f   59 GLU cc_start: 0.6657 (tt0) cc_final: 0.6357 (tt0)
REVERT: f  118 PHE cc_start: 0.7804 (t80) cc_final: 0.7496 (t80)
REVERT: f  120 LYS cc_start: 0.7486 (ttpt) cc_final: 0.7249 (ttpp)
REVERT: f  186 TRP cc_start: 0.7569 (m100) cc_final: 0.7138 (m100)
REVERT: f  188 LYS cc_start: 0.8189 (ttmt) cc_final: 0.7950 (ttmt)
REVERT: f  210 GLU cc_start: 0.7001 (mt-10) cc_final: 0.6530 (mt-10)
REVERT: f  215 PHE cc_start: 0.7908 (OUTLIER) cc_final: 0.7030 (t80)
REVERT: f  220 ARG cc_start: 0.6972 (tpp80) cc_final: 0.6239 (mtm110)
REVERT: g  215 PHE cc_start: 0.7474 (OUTLIER) cc_final: 0.6312 (t80)
REVERT: g  220 ARG cc_start: 0.7342 (tpp80) cc_final: 0.6586 (mtm110)
REVERT: h   24 GLU cc_start: 0.4925 (OUTLIER) cc_final: 0.4609 (pm20)
REVERT: h   80 MET cc_start: 0.7832 (mtp) cc_final: 0.7514 (mtm)
REVERT: h  220 ARG cc_start: 0.7246 (tpp80) cc_final: 0.6777 (mpt-90)
REVERT: i   22 MET cc_start: 0.7772 (mmm) cc_final: 0.7299 (mmp)
REVERT: i   96 ARG cc_start: 0.7583 (ttp80) cc_final: 0.7352 (tmm160)
REVERT: i  105 PHE cc_start: 0.7462 (m-10) cc_final: 0.7190 (m-10)
REVERT: i  120 LYS cc_start: 0.7531 (mttm) cc_final: 0.7218 (ttpp)
REVERT: j   59 GLU cc_start: 0.6660 (tt0) cc_final: 0.6369 (tt0)
REVERT: j  118 PHE cc_start: 0.7807 (t80) cc_final: 0.7485 (t80)
REVERT: j  120 LYS cc_start: 0.7485 (ttpt) cc_final: 0.7244 (ttpp)
REVERT: j  186 TRP cc_start: 0.7560 (m100) cc_final: 0.7132 (m100)
REVERT: j  188 LYS cc_start: 0.8200 (ttmt) cc_final: 0.7961 (ttmt)
REVERT: j  210 GLU cc_start: 0.7001 (mt-10) cc_final: 0.6529 (mt-10)
REVERT: j  215 PHE cc_start: 0.7908 (OUTLIER) cc_final: 0.7028 (t80)
REVERT: j  220 ARG cc_start: 0.6971 (tpp80) cc_final: 0.6240 (mtm110)
REVERT: k  215 PHE cc_start: 0.7474 (OUTLIER) cc_final: 0.6313 (t80)
REVERT: k  220 ARG cc_start: 0.7342 (tpp80) cc_final: 0.6586 (mtm110)
REVERT: l   24 GLU cc_start: 0.4925 (OUTLIER) cc_final: 0.4608 (pm20)
REVERT: l   80 MET cc_start: 0.7832 (mtp) cc_final: 0.7516 (mtm)
REVERT: l  220 ARG cc_start: 0.7247 (tpp80) cc_final: 0.6779 (mpt-90)
REVERT: m   22 MET cc_start: 0.7772 (mmm) cc_final: 0.7298 (mmp)
REVERT: m   96 ARG cc_start: 0.7584 (ttp80) cc_final: 0.7353 (tmm160)
REVERT: m  105 PHE cc_start: 0.7461 (m-10) cc_final: 0.7189 (m-10)
REVERT: m  120 LYS cc_start: 0.7532 (mttm) cc_final: 0.7218 (ttpp)
REVERT: n   22 MET cc_start: 0.8125 (mmm) cc_final: 0.7304 (mpp)
REVERT: n   24 GLU cc_start: 0.5171 (OUTLIER) cc_final: 0.4941 (pm20)
REVERT: n   59 GLU cc_start: 0.6974 (tt0) cc_final: 0.6751 (tt0)
REVERT: n  113 GLU cc_start: 0.6918 (mp0) cc_final: 0.6550 (tp30)
REVERT: p  120 LYS cc_start: 0.7995 (mttm) cc_final: 0.7159 (ttpp)
REVERT: p  207 GLU cc_start: 0.7898 (mm-30) cc_final: 0.7694 (tp30)
REVERT: r   84 ILE cc_start: 0.8458 (OUTLIER) cc_final: 0.7875 (mm)
REVERT: s  215 PHE cc_start: 0.7878 (OUTLIER) cc_final: 0.6899 (t80)
REVERT: t  120 LYS cc_start: 0.7995 (mttm) cc_final: 0.7159 (ttpp)
REVERT: t  207 GLU cc_start: 0.7898 (mm-30) cc_final: 0.7693 (tp30)
REVERT: v   84 ILE cc_start: 0.8459 (OUTLIER) cc_final: 0.7876 (mm)
REVERT: w  215 PHE cc_start: 0.7878 (OUTLIER) cc_final: 0.6899 (t80)
  outliers start: 536
  outliers final: 383
  residues processed: 1867
  average time/residue: 0.7731
  time to fit residues: 2550.2902
Evaluate side-chains
  1816 residues out of total 9840 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 417
    poor density    : 1399
  time to evaluate  : 7.733 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   24 GLU
Chi-restraints excluded: chain A residue   61 THR
Chi-restraints excluded: chain A residue   99 VAL
Chi-restraints excluded: chain A residue  179 ASN
Chi-restraints excluded: chain A residue  196 VAL
Chi-restraints excluded: chain A residue  215 PHE
Chi-restraints excluded: chain B residue   24 GLU
Chi-restraints excluded: chain B residue   31 ILE
Chi-restraints excluded: chain B residue   74 LEU
Chi-restraints excluded: chain B residue   99 VAL
Chi-restraints excluded: chain B residue  111 LEU
Chi-restraints excluded: chain B residue  160 VAL
Chi-restraints excluded: chain B residue  179 ASN
Chi-restraints excluded: chain B residue  196 VAL
Chi-restraints excluded: chain C residue   24 GLU
Chi-restraints excluded: chain C residue   31 ILE
Chi-restraints excluded: chain C residue  111 LEU
Chi-restraints excluded: chain C residue  154 VAL
Chi-restraints excluded: chain C residue  179 ASN
Chi-restraints excluded: chain C residue  181 ASP
Chi-restraints excluded: chain C residue  185 GLU
Chi-restraints excluded: chain C residue  194 VAL
Chi-restraints excluded: chain C residue  219 ILE
Chi-restraints excluded: chain D residue   31 ILE
Chi-restraints excluded: chain D residue   61 THR
Chi-restraints excluded: chain D residue   89 VAL
Chi-restraints excluded: chain D residue  111 LEU
Chi-restraints excluded: chain D residue  137 VAL
Chi-restraints excluded: chain D residue  154 VAL
Chi-restraints excluded: chain D residue  194 VAL
Chi-restraints excluded: chain D residue  196 VAL
Chi-restraints excluded: chain D residue  215 PHE
Chi-restraints excluded: chain D residue  219 ILE
Chi-restraints excluded: chain E residue   34 VAL
Chi-restraints excluded: chain E residue  111 LEU
Chi-restraints excluded: chain E residue  145 THR
Chi-restraints excluded: chain E residue  154 VAL
Chi-restraints excluded: chain E residue  170 VAL
Chi-restraints excluded: chain E residue  179 ASN
Chi-restraints excluded: chain E residue  215 PHE
Chi-restraints excluded: chain E residue  219 ILE
Chi-restraints excluded: chain F residue   31 ILE
Chi-restraints excluded: chain F residue   61 THR
Chi-restraints excluded: chain F residue   74 LEU
Chi-restraints excluded: chain F residue  110 HIS
Chi-restraints excluded: chain F residue  120 LYS
Chi-restraints excluded: chain F residue  124 VAL
Chi-restraints excluded: chain F residue  161 LYS
Chi-restraints excluded: chain F residue  178 VAL
Chi-restraints excluded: chain F residue  204 THR
Chi-restraints excluded: chain F residue  222 CYS
Chi-restraints excluded: chain G residue   39 SER
Chi-restraints excluded: chain G residue   61 THR
Chi-restraints excluded: chain G residue   89 VAL
Chi-restraints excluded: chain G residue  111 LEU
Chi-restraints excluded: chain G residue  124 VAL
Chi-restraints excluded: chain G residue  154 VAL
Chi-restraints excluded: chain G residue  222 CYS
Chi-restraints excluded: chain H residue   22 MET
Chi-restraints excluded: chain H residue   24 GLU
Chi-restraints excluded: chain H residue   34 VAL
Chi-restraints excluded: chain H residue   92 VAL
Chi-restraints excluded: chain H residue  101 SER
Chi-restraints excluded: chain H residue  154 VAL
Chi-restraints excluded: chain H residue  215 PHE
Chi-restraints excluded: chain I residue   31 ILE
Chi-restraints excluded: chain I residue   35 LEU
Chi-restraints excluded: chain I residue   38 ASN
Chi-restraints excluded: chain I residue  110 HIS
Chi-restraints excluded: chain I residue  131 MET
Chi-restraints excluded: chain I residue  160 VAL
Chi-restraints excluded: chain I residue  178 VAL
Chi-restraints excluded: chain J residue   31 ILE
Chi-restraints excluded: chain J residue  160 VAL
Chi-restraints excluded: chain J residue  183 VAL
Chi-restraints excluded: chain K residue   34 VAL
Chi-restraints excluded: chain K residue   61 THR
Chi-restraints excluded: chain K residue  110 HIS
Chi-restraints excluded: chain K residue  154 VAL
Chi-restraints excluded: chain K residue  181 ASP
Chi-restraints excluded: chain K residue  196 VAL
Chi-restraints excluded: chain L residue   74 LEU
Chi-restraints excluded: chain L residue  145 THR
Chi-restraints excluded: chain L residue  178 VAL
Chi-restraints excluded: chain L residue  179 ASN
Chi-restraints excluded: chain L residue  181 ASP
Chi-restraints excluded: chain L residue  192 LEU
Chi-restraints excluded: chain M residue   31 ILE
Chi-restraints excluded: chain M residue  124 VAL
Chi-restraints excluded: chain M residue  136 LEU
Chi-restraints excluded: chain M residue  185 GLU
Chi-restraints excluded: chain M residue  196 VAL
Chi-restraints excluded: chain N residue   25 LEU
Chi-restraints excluded: chain N residue   89 VAL
Chi-restraints excluded: chain N residue  111 LEU
Chi-restraints excluded: chain N residue  124 VAL
Chi-restraints excluded: chain N residue  154 VAL
Chi-restraints excluded: chain N residue  179 ASN
Chi-restraints excluded: chain N residue  215 PHE
Chi-restraints excluded: chain O residue   89 VAL
Chi-restraints excluded: chain O residue  154 VAL
Chi-restraints excluded: chain O residue  183 VAL
Chi-restraints excluded: chain O residue  215 PHE
Chi-restraints excluded: chain P residue   31 ILE
Chi-restraints excluded: chain P residue   61 THR
Chi-restraints excluded: chain P residue  110 HIS
Chi-restraints excluded: chain P residue  124 VAL
Chi-restraints excluded: chain Q residue   31 ILE
Chi-restraints excluded: chain Q residue   32 VAL
Chi-restraints excluded: chain Q residue   39 SER
Chi-restraints excluded: chain Q residue   62 PHE
Chi-restraints excluded: chain Q residue   74 LEU
Chi-restraints excluded: chain Q residue   84 ILE
Chi-restraints excluded: chain Q residue   92 VAL
Chi-restraints excluded: chain Q residue  110 HIS
Chi-restraints excluded: chain Q residue  179 ASN
Chi-restraints excluded: chain Q residue  215 PHE
Chi-restraints excluded: chain Q residue  222 CYS
Chi-restraints excluded: chain R residue   31 ILE
Chi-restraints excluded: chain R residue   89 VAL
Chi-restraints excluded: chain R residue  111 LEU
Chi-restraints excluded: chain R residue  215 PHE
Chi-restraints excluded: chain S residue   31 ILE
Chi-restraints excluded: chain S residue   38 ASN
Chi-restraints excluded: chain S residue   62 PHE
Chi-restraints excluded: chain S residue   69 THR
Chi-restraints excluded: chain S residue   77 LEU
Chi-restraints excluded: chain S residue  110 HIS
Chi-restraints excluded: chain S residue  131 MET
Chi-restraints excluded: chain S residue  178 VAL
Chi-restraints excluded: chain S residue  196 VAL
Chi-restraints excluded: chain T residue   31 ILE
Chi-restraints excluded: chain T residue   38 ASN
Chi-restraints excluded: chain T residue   69 THR
Chi-restraints excluded: chain T residue  110 HIS
Chi-restraints excluded: chain T residue  111 LEU
Chi-restraints excluded: chain T residue  160 VAL
Chi-restraints excluded: chain U residue   74 LEU
Chi-restraints excluded: chain U residue  110 HIS
Chi-restraints excluded: chain U residue  145 THR
Chi-restraints excluded: chain U residue  178 VAL
Chi-restraints excluded: chain U residue  179 ASN
Chi-restraints excluded: chain U residue  181 ASP
Chi-restraints excluded: chain U residue  192 LEU
Chi-restraints excluded: chain V residue   31 ILE
Chi-restraints excluded: chain V residue  124 VAL
Chi-restraints excluded: chain V residue  136 LEU
Chi-restraints excluded: chain V residue  185 GLU
Chi-restraints excluded: chain V residue  196 VAL
Chi-restraints excluded: chain W residue   25 LEU
Chi-restraints excluded: chain W residue   89 VAL
Chi-restraints excluded: chain W residue  111 LEU
Chi-restraints excluded: chain W residue  124 VAL
Chi-restraints excluded: chain W residue  154 VAL
Chi-restraints excluded: chain W residue  179 ASN
Chi-restraints excluded: chain W residue  215 PHE
Chi-restraints excluded: chain X residue   89 VAL
Chi-restraints excluded: chain X residue  154 VAL
Chi-restraints excluded: chain X residue  183 VAL
Chi-restraints excluded: chain X residue  194 VAL
Chi-restraints excluded: chain X residue  215 PHE
Chi-restraints excluded: chain Y residue   34 VAL
Chi-restraints excluded: chain Y residue   61 THR
Chi-restraints excluded: chain Y residue  110 HIS
Chi-restraints excluded: chain Y residue  154 VAL
Chi-restraints excluded: chain Y residue  181 ASP
Chi-restraints excluded: chain Y residue  196 VAL
Chi-restraints excluded: chain Z residue   39 SER
Chi-restraints excluded: chain Z residue   61 THR
Chi-restraints excluded: chain Z residue   89 VAL
Chi-restraints excluded: chain Z residue  111 LEU
Chi-restraints excluded: chain Z residue  124 VAL
Chi-restraints excluded: chain Z residue  154 VAL
Chi-restraints excluded: chain Z residue  222 CYS
Chi-restraints excluded: chain 0 residue   22 MET
Chi-restraints excluded: chain 0 residue   24 GLU
Chi-restraints excluded: chain 0 residue   34 VAL
Chi-restraints excluded: chain 0 residue   92 VAL
Chi-restraints excluded: chain 0 residue  101 SER
Chi-restraints excluded: chain 0 residue  154 VAL
Chi-restraints excluded: chain 0 residue  215 PHE
Chi-restraints excluded: chain 1 residue   31 ILE
Chi-restraints excluded: chain 1 residue   35 LEU
Chi-restraints excluded: chain 1 residue   38 ASN
Chi-restraints excluded: chain 1 residue  110 HIS
Chi-restraints excluded: chain 1 residue  131 MET
Chi-restraints excluded: chain 1 residue  160 VAL
Chi-restraints excluded: chain 1 residue  178 VAL
Chi-restraints excluded: chain 2 residue   31 ILE
Chi-restraints excluded: chain 2 residue   69 THR
Chi-restraints excluded: chain 2 residue  160 VAL
Chi-restraints excluded: chain 2 residue  183 VAL
Chi-restraints excluded: chain 3 residue   31 ILE
Chi-restraints excluded: chain 3 residue   61 THR
Chi-restraints excluded: chain 3 residue   74 LEU
Chi-restraints excluded: chain 3 residue  110 HIS
Chi-restraints excluded: chain 3 residue  120 LYS
Chi-restraints excluded: chain 3 residue  124 VAL
Chi-restraints excluded: chain 3 residue  161 LYS
Chi-restraints excluded: chain 3 residue  178 VAL
Chi-restraints excluded: chain 3 residue  204 THR
Chi-restraints excluded: chain 3 residue  222 CYS
Chi-restraints excluded: chain 4 residue   89 VAL
Chi-restraints excluded: chain 4 residue  154 VAL
Chi-restraints excluded: chain 4 residue  183 VAL
Chi-restraints excluded: chain 4 residue  194 VAL
Chi-restraints excluded: chain 5 residue   34 VAL
Chi-restraints excluded: chain 5 residue   61 THR
Chi-restraints excluded: chain 5 residue  110 HIS
Chi-restraints excluded: chain 5 residue  154 VAL
Chi-restraints excluded: chain 5 residue  181 ASP
Chi-restraints excluded: chain 5 residue  196 VAL
Chi-restraints excluded: chain 6 residue   74 LEU
Chi-restraints excluded: chain 6 residue  145 THR
Chi-restraints excluded: chain 6 residue  178 VAL
Chi-restraints excluded: chain 6 residue  179 ASN
Chi-restraints excluded: chain 6 residue  181 ASP
Chi-restraints excluded: chain 6 residue  192 LEU
Chi-restraints excluded: chain 7 residue   31 ILE
Chi-restraints excluded: chain 7 residue  124 VAL
Chi-restraints excluded: chain 7 residue  136 LEU
Chi-restraints excluded: chain 7 residue  185 GLU
Chi-restraints excluded: chain 7 residue  196 VAL
Chi-restraints excluded: chain 8 residue   25 LEU
Chi-restraints excluded: chain 8 residue   89 VAL
Chi-restraints excluded: chain 8 residue  111 LEU
Chi-restraints excluded: chain 8 residue  124 VAL
Chi-restraints excluded: chain 8 residue  154 VAL
Chi-restraints excluded: chain 8 residue  179 ASN
Chi-restraints excluded: chain 8 residue  215 PHE
Chi-restraints excluded: chain 9 residue   31 ILE
Chi-restraints excluded: chain 9 residue   69 THR
Chi-restraints excluded: chain 9 residue  160 VAL
Chi-restraints excluded: chain 9 residue  183 VAL
Chi-restraints excluded: chain a residue   31 ILE
Chi-restraints excluded: chain a residue   61 THR
Chi-restraints excluded: chain a residue   74 LEU
Chi-restraints excluded: chain a residue  110 HIS
Chi-restraints excluded: chain a residue  120 LYS
Chi-restraints excluded: chain a residue  124 VAL
Chi-restraints excluded: chain a residue  161 LYS
Chi-restraints excluded: chain a residue  178 VAL
Chi-restraints excluded: chain a residue  204 THR
Chi-restraints excluded: chain a residue  222 CYS
Chi-restraints excluded: chain b residue   39 SER
Chi-restraints excluded: chain b residue   61 THR
Chi-restraints excluded: chain b residue   89 VAL
Chi-restraints excluded: chain b residue  111 LEU
Chi-restraints excluded: chain b residue  124 VAL
Chi-restraints excluded: chain b residue  154 VAL
Chi-restraints excluded: chain b residue  222 CYS
Chi-restraints excluded: chain c residue   22 MET
Chi-restraints excluded: chain c residue   24 GLU
Chi-restraints excluded: chain c residue   34 VAL
Chi-restraints excluded: chain c residue   92 VAL
Chi-restraints excluded: chain c residue  101 SER
Chi-restraints excluded: chain c residue  154 VAL
Chi-restraints excluded: chain c residue  215 PHE
Chi-restraints excluded: chain d residue   31 ILE
Chi-restraints excluded: chain d residue   35 LEU
Chi-restraints excluded: chain d residue   38 ASN
Chi-restraints excluded: chain d residue  110 HIS
Chi-restraints excluded: chain d residue  127 MET
Chi-restraints excluded: chain d residue  131 MET
Chi-restraints excluded: chain d residue  160 VAL
Chi-restraints excluded: chain d residue  178 VAL
Chi-restraints excluded: chain e residue   24 GLU
Chi-restraints excluded: chain e residue   31 ILE
Chi-restraints excluded: chain e residue  111 LEU
Chi-restraints excluded: chain e residue  154 VAL
Chi-restraints excluded: chain e residue  179 ASN
Chi-restraints excluded: chain e residue  181 ASP
Chi-restraints excluded: chain e residue  185 GLU
Chi-restraints excluded: chain e residue  194 VAL
Chi-restraints excluded: chain f residue   31 ILE
Chi-restraints excluded: chain f residue   61 THR
Chi-restraints excluded: chain f residue   89 VAL
Chi-restraints excluded: chain f residue  111 LEU
Chi-restraints excluded: chain f residue  137 VAL
Chi-restraints excluded: chain f residue  154 VAL
Chi-restraints excluded: chain f residue  194 VAL
Chi-restraints excluded: chain f residue  196 VAL
Chi-restraints excluded: chain f residue  215 PHE
Chi-restraints excluded: chain f residue  219 ILE
Chi-restraints excluded: chain g residue   34 VAL
Chi-restraints excluded: chain g residue  111 LEU
Chi-restraints excluded: chain g residue  145 THR
Chi-restraints excluded: chain g residue  154 VAL
Chi-restraints excluded: chain g residue  170 VAL
Chi-restraints excluded: chain g residue  179 ASN
Chi-restraints excluded: chain g residue  215 PHE
Chi-restraints excluded: chain g residue  219 ILE
Chi-restraints excluded: chain h residue   24 GLU
Chi-restraints excluded: chain h residue   61 THR
Chi-restraints excluded: chain h residue   99 VAL
Chi-restraints excluded: chain h residue  140 MET
Chi-restraints excluded: chain h residue  179 ASN
Chi-restraints excluded: chain h residue  196 VAL
Chi-restraints excluded: chain h residue  215 PHE
Chi-restraints excluded: chain i residue   24 GLU
Chi-restraints excluded: chain i residue   31 ILE
Chi-restraints excluded: chain i residue   74 LEU
Chi-restraints excluded: chain i residue   99 VAL
Chi-restraints excluded: chain i residue  111 LEU
Chi-restraints excluded: chain i residue  160 VAL
Chi-restraints excluded: chain i residue  179 ASN
Chi-restraints excluded: chain i residue  196 VAL
Chi-restraints excluded: chain j residue   31 ILE
Chi-restraints excluded: chain j residue   61 THR
Chi-restraints excluded: chain j residue   89 VAL
Chi-restraints excluded: chain j residue  111 LEU
Chi-restraints excluded: chain j residue  137 VAL
Chi-restraints excluded: chain j residue  154 VAL
Chi-restraints excluded: chain j residue  173 VAL
Chi-restraints excluded: chain j residue  194 VAL
Chi-restraints excluded: chain j residue  196 VAL
Chi-restraints excluded: chain j residue  215 PHE
Chi-restraints excluded: chain j residue  219 ILE
Chi-restraints excluded: chain k residue   34 VAL
Chi-restraints excluded: chain k residue  111 LEU
Chi-restraints excluded: chain k residue  145 THR
Chi-restraints excluded: chain k residue  154 VAL
Chi-restraints excluded: chain k residue  170 VAL
Chi-restraints excluded: chain k residue  179 ASN
Chi-restraints excluded: chain k residue  215 PHE
Chi-restraints excluded: chain k residue  219 ILE
Chi-restraints excluded: chain l residue   24 GLU
Chi-restraints excluded: chain l residue   61 THR
Chi-restraints excluded: chain l residue   99 VAL
Chi-restraints excluded: chain l residue  140 MET
Chi-restraints excluded: chain l residue  179 ASN
Chi-restraints excluded: chain l residue  196 VAL
Chi-restraints excluded: chain l residue  215 PHE
Chi-restraints excluded: chain m residue   24 GLU
Chi-restraints excluded: chain m residue   31 ILE
Chi-restraints excluded: chain m residue   74 LEU
Chi-restraints excluded: chain m residue   99 VAL
Chi-restraints excluded: chain m residue  111 LEU
Chi-restraints excluded: chain m residue  160 VAL
Chi-restraints excluded: chain m residue  179 ASN
Chi-restraints excluded: chain m residue  196 VAL
Chi-restraints excluded: chain n residue   24 GLU
Chi-restraints excluded: chain n residue   31 ILE
Chi-restraints excluded: chain n residue  111 LEU
Chi-restraints excluded: chain n residue  154 VAL
Chi-restraints excluded: chain n residue  179 ASN
Chi-restraints excluded: chain n residue  181 ASP
Chi-restraints excluded: chain n residue  185 GLU
Chi-restraints excluded: chain n residue  194 VAL
Chi-restraints excluded: chain o residue   89 VAL
Chi-restraints excluded: chain o residue  111 LEU
Chi-restraints excluded: chain o residue  215 PHE
Chi-restraints excluded: chain p residue   31 ILE
Chi-restraints excluded: chain p residue   38 ASN
Chi-restraints excluded: chain p residue   62 PHE
Chi-restraints excluded: chain p residue   69 THR
Chi-restraints excluded: chain p residue   77 LEU
Chi-restraints excluded: chain p residue  110 HIS
Chi-restraints excluded: chain p residue  131 MET
Chi-restraints excluded: chain p residue  178 VAL
Chi-restraints excluded: chain p residue  196 VAL
Chi-restraints excluded: chain q residue   31 ILE
Chi-restraints excluded: chain q residue   38 ASN
Chi-restraints excluded: chain q residue   69 THR
Chi-restraints excluded: chain q residue  110 HIS
Chi-restraints excluded: chain q residue  111 LEU
Chi-restraints excluded: chain q residue  160 VAL
Chi-restraints excluded: chain r residue   31 ILE
Chi-restraints excluded: chain r residue   61 THR
Chi-restraints excluded: chain r residue   84 ILE
Chi-restraints excluded: chain r residue  110 HIS
Chi-restraints excluded: chain r residue  124 VAL
Chi-restraints excluded: chain s residue   31 ILE
Chi-restraints excluded: chain s residue   32 VAL
Chi-restraints excluded: chain s residue   39 SER
Chi-restraints excluded: chain s residue   62 PHE
Chi-restraints excluded: chain s residue   74 LEU
Chi-restraints excluded: chain s residue   84 ILE
Chi-restraints excluded: chain s residue   92 VAL
Chi-restraints excluded: chain s residue  110 HIS
Chi-restraints excluded: chain s residue  179 ASN
Chi-restraints excluded: chain s residue  215 PHE
Chi-restraints excluded: chain s residue  222 CYS
Chi-restraints excluded: chain t residue   31 ILE
Chi-restraints excluded: chain t residue   38 ASN
Chi-restraints excluded: chain t residue   62 PHE
Chi-restraints excluded: chain t residue   69 THR
Chi-restraints excluded: chain t residue   77 LEU
Chi-restraints excluded: chain t residue  110 HIS
Chi-restraints excluded: chain t residue  131 MET
Chi-restraints excluded: chain t residue  178 VAL
Chi-restraints excluded: chain t residue  196 VAL
Chi-restraints excluded: chain u residue   31 ILE
Chi-restraints excluded: chain u residue   38 ASN
Chi-restraints excluded: chain u residue   69 THR
Chi-restraints excluded: chain u residue  110 HIS
Chi-restraints excluded: chain u residue  160 VAL
Chi-restraints excluded: chain v residue   31 ILE
Chi-restraints excluded: chain v residue   61 THR
Chi-restraints excluded: chain v residue   84 ILE
Chi-restraints excluded: chain v residue  110 HIS
Chi-restraints excluded: chain v residue  124 VAL
Chi-restraints excluded: chain w residue   31 ILE
Chi-restraints excluded: chain w residue   32 VAL
Chi-restraints excluded: chain w residue   39 SER
Chi-restraints excluded: chain w residue   62 PHE
Chi-restraints excluded: chain w residue   74 LEU
Chi-restraints excluded: chain w residue   84 ILE
Chi-restraints excluded: chain w residue   92 VAL
Chi-restraints excluded: chain w residue  110 HIS
Chi-restraints excluded: chain w residue  179 ASN
Chi-restraints excluded: chain w residue  215 PHE
Chi-restraints excluded: chain w residue  222 CYS
Chi-restraints excluded: chain x residue   31 ILE
Chi-restraints excluded: chain x residue   89 VAL
Chi-restraints excluded: chain x residue  111 LEU
Chi-restraints excluded: chain x residue  215 PHE
Rotamers are restrained with sigma=2.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 1200
   random chunks:
   chunk 715 optimal weight:    2.9990
   chunk 461 optimal weight:    0.9980
   chunk 690 optimal weight:    5.9990
   chunk 348 optimal weight:    2.9990
   chunk 227 optimal weight:    5.9990
   chunk 224 optimal weight:    5.9990
   chunk 735 optimal weight:    3.9990
   chunk 787 optimal weight:    0.8980
   chunk 571 optimal weight:    0.2980
   chunk 107 optimal weight:    6.9990
   chunk 909 optimal weight:    7.9990
   overall best weight:    1.6384

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

Flipped N/Q/H residues before XYZ refinement:
** A 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** C 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** D 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** F 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** G 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** N 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
O 110 HIS
** W 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
X 110 HIS
** 3 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
4 110 HIS
** 8 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** a 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** e 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** f 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** h 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** j 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** n 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 3

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7551
moved from start:          0.8475

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.063  92820  Z= 0.272
  Angle     :  0.612  12.608 125160  Z= 0.305
  Chirality :  0.048   0.248  14700
  Planarity :  0.005   0.042  15720
  Dihedral  :  4.709  29.182  12240
  Min Nonbonded Distance : 2.138

Molprobity Statistics.
  All-atom Clashscore : 13.52
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  4.26 %
    Favored  : 95.74 %
  Rotamer:
    Outliers :  5.71 %
    Allowed  : 29.95 %
    Favored  : 64.34 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 10.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -0.17 (0.08), residues: 11940
  helix:  1.41 (0.07), residues: 6060
  sheet: -2.01 (0.12), residues: 1440
  loop : -1.58 (0.09), residues: 4440

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.016   0.002   TRP 8 186 
 HIS   0.014   0.001   HIS M 110 
 PHE   0.027   0.002   PHE B  51 
 TYR   0.015   0.002   TYR o 126 
 ARG   0.010   0.001   ARG U  96 

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

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

  23880 Ramachandran restraints generated.
    11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  23880 Ramachandran restraints generated.
    11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  1955 residues out of total 9840 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 562
    poor density    : 1393
  time to evaluate  : 7.983 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
REVERT: A   24 GLU cc_start: 0.5098 (OUTLIER) cc_final: 0.4723 (pm20)
REVERT: A   80 MET cc_start: 0.7951 (mtp) cc_final: 0.7697 (mtm)
REVERT: A  220 ARG cc_start: 0.7288 (tpp80) cc_final: 0.6810 (mpt-90)
REVERT: B   22 MET cc_start: 0.7862 (mmm) cc_final: 0.7403 (mmp)
REVERT: B  120 LYS cc_start: 0.7594 (mttm) cc_final: 0.7263 (ttpp)
REVERT: B  160 VAL cc_start: 0.7481 (OUTLIER) cc_final: 0.7252 (m)
REVERT: C   22 MET cc_start: 0.8131 (mmm) cc_final: 0.7284 (mpp)
REVERT: C   24 GLU cc_start: 0.5513 (OUTLIER) cc_final: 0.5279 (pm20)
REVERT: C   59 GLU cc_start: 0.7327 (tt0) cc_final: 0.7102 (tt0)
REVERT: C  113 GLU cc_start: 0.7050 (mp0) cc_final: 0.6706 (tp30)
REVERT: C  215 PHE cc_start: 0.7880 (OUTLIER) cc_final: 0.7121 (t80)
REVERT: D   59 GLU cc_start: 0.7030 (tt0) cc_final: 0.6787 (tt0)
REVERT: D  140 MET cc_start: 0.7730 (OUTLIER) cc_final: 0.7425 (mtp)
REVERT: D  215 PHE cc_start: 0.8019 (OUTLIER) cc_final: 0.6864 (t80)
REVERT: D  220 ARG cc_start: 0.7162 (tpp80) cc_final: 0.6398 (mtm110)
REVERT: E  215 PHE cc_start: 0.7696 (OUTLIER) cc_final: 0.6754 (t80)
REVERT: E  220 ARG cc_start: 0.7215 (tpp80) cc_final: 0.6460 (mtm110)
REVERT: F  161 LYS cc_start: 0.8468 (OUTLIER) cc_final: 0.8226 (ttpt)
REVERT: H   22 MET cc_start: 0.7663 (OUTLIER) cc_final: 0.7174 (mmt)
REVERT: H   24 GLU cc_start: 0.4902 (OUTLIER) cc_final: 0.4630 (pm20)
REVERT: H  220 ARG cc_start: 0.7662 (tmm-80) cc_final: 0.7377 (mtm110)
REVERT: I  120 LYS cc_start: 0.7900 (mttm) cc_final: 0.7694 (mttm)
REVERT: I  131 MET cc_start: 0.6777 (OUTLIER) cc_final: 0.5949 (ttt)
REVERT: J   96 ARG cc_start: 0.7425 (ptt90) cc_final: 0.7135 (ptp-170)
REVERT: J  120 LYS cc_start: 0.7692 (mttm) cc_final: 0.7089 (ttpp)
REVERT: J  220 ARG cc_start: 0.7196 (mtm110) cc_final: 0.6561 (mmt90)
REVERT: K   96 ARG cc_start: 0.7752 (tmm-80) cc_final: 0.7073 (tpp80)
REVERT: L   96 ARG cc_start: 0.7442 (ttp80) cc_final: 0.7075 (ttp-170)
REVERT: L  120 LYS cc_start: 0.7800 (mttm) cc_final: 0.7290 (ttpp)
REVERT: L  217 GLU cc_start: 0.7650 (mm-30) cc_final: 0.7360 (mt-10)
REVERT: M   96 ARG cc_start: 0.6737 (ptp-110) cc_final: 0.6310 (ptm160)
REVERT: N  185 GLU cc_start: 0.7183 (tm-30) cc_final: 0.6804 (tt0)
REVERT: N  207 GLU cc_start: 0.8110 (tp30) cc_final: 0.7796 (tt0)
REVERT: N  215 PHE cc_start: 0.7846 (OUTLIER) cc_final: 0.6881 (t80)
REVERT: O   58 ILE cc_start: 0.8476 (mm) cc_final: 0.8206 (mm)
REVERT: O  215 PHE cc_start: 0.7716 (OUTLIER) cc_final: 0.7414 (t80)
REVERT: Q  215 PHE cc_start: 0.7945 (OUTLIER) cc_final: 0.6975 (t80)
REVERT: R  163 MET cc_start: 0.8077 (mmt) cc_final: 0.7537 (mpp)
REVERT: S  120 LYS cc_start: 0.8000 (mttm) cc_final: 0.7160 (ttpp)
REVERT: T   59 GLU cc_start: 0.7145 (tt0) cc_final: 0.6906 (tt0)
REVERT: U   96 ARG cc_start: 0.7441 (ttp80) cc_final: 0.7075 (ttp-170)
REVERT: U  120 LYS cc_start: 0.7798 (mttm) cc_final: 0.7288 (ttpp)
REVERT: U  217 GLU cc_start: 0.7650 (mm-30) cc_final: 0.7359 (mt-10)
REVERT: V   96 ARG cc_start: 0.6738 (ptp-110) cc_final: 0.6312 (ptm160)
REVERT: W  185 GLU cc_start: 0.7178 (tm-30) cc_final: 0.6801 (tt0)
REVERT: W  207 GLU cc_start: 0.8107 (tp30) cc_final: 0.7794 (tt0)
REVERT: W  215 PHE cc_start: 0.7847 (OUTLIER) cc_final: 0.6881 (t80)
REVERT: X   58 ILE cc_start: 0.8477 (mm) cc_final: 0.8206 (mm)
REVERT: X  215 PHE cc_start: 0.7715 (OUTLIER) cc_final: 0.7411 (t80)
REVERT: Y   96 ARG cc_start: 0.7754 (tmm-80) cc_final: 0.7084 (tpp80)
REVERT: 0   22 MET cc_start: 0.7666 (OUTLIER) cc_final: 0.7182 (mmt)
REVERT: 0   24 GLU cc_start: 0.4899 (OUTLIER) cc_final: 0.4626 (pm20)
REVERT: 0  220 ARG cc_start: 0.7662 (tmm-80) cc_final: 0.7380 (mtm110)
REVERT: 1  120 LYS cc_start: 0.7901 (mttm) cc_final: 0.7697 (mttm)
REVERT: 1  131 MET cc_start: 0.6780 (OUTLIER) cc_final: 0.5957 (ttt)
REVERT: 2   96 ARG cc_start: 0.7438 (ptt90) cc_final: 0.7143 (ptp-170)
REVERT: 2  120 LYS cc_start: 0.7724 (mttm) cc_final: 0.7105 (ttpp)
REVERT: 2  220 ARG cc_start: 0.7195 (mtm110) cc_final: 0.6561 (mmt90)
REVERT: 3  111 LEU cc_start: 0.8442 (OUTLIER) cc_final: 0.8240 (tt)
REVERT: 3  161 LYS cc_start: 0.8467 (OUTLIER) cc_final: 0.8225 (ttpt)
REVERT: 4   58 ILE cc_start: 0.8391 (mm) cc_final: 0.8114 (mm)
REVERT: 4  215 PHE cc_start: 0.7716 (OUTLIER) cc_final: 0.7419 (t80)
REVERT: 5   96 ARG cc_start: 0.7679 (tmm-80) cc_final: 0.7117 (tpp80)
REVERT: 6   96 ARG cc_start: 0.7442 (ttp80) cc_final: 0.7074 (ttp-170)
REVERT: 6  120 LYS cc_start: 0.7800 (mttm) cc_final: 0.7290 (ttpp)
REVERT: 6  217 GLU cc_start: 0.7649 (mm-30) cc_final: 0.7359 (mt-10)
REVERT: 7   96 ARG cc_start: 0.6738 (ptp-110) cc_final: 0.6311 (ptm160)
REVERT: 8  207 GLU cc_start: 0.8110 (tp30) cc_final: 0.7798 (tt0)
REVERT: 8  215 PHE cc_start: 0.7849 (OUTLIER) cc_final: 0.6895 (t80)
REVERT: 9   96 ARG cc_start: 0.7439 (ptt90) cc_final: 0.7146 (ptp-170)
REVERT: 9  120 LYS cc_start: 0.7725 (mttm) cc_final: 0.7106 (ttpp)
REVERT: 9  220 ARG cc_start: 0.7197 (mtm110) cc_final: 0.6562 (mmt90)
REVERT: a  111 LEU cc_start: 0.8441 (OUTLIER) cc_final: 0.8240 (tt)
REVERT: a  161 LYS cc_start: 0.8468 (OUTLIER) cc_final: 0.8225 (ttpt)
REVERT: c   22 MET cc_start: 0.7663 (OUTLIER) cc_final: 0.7175 (mmt)
REVERT: c   24 GLU cc_start: 0.4903 (OUTLIER) cc_final: 0.4631 (pm20)
REVERT: c  220 ARG cc_start: 0.7662 (tmm-80) cc_final: 0.7378 (mtm110)
REVERT: d  120 LYS cc_start: 0.7900 (mttm) cc_final: 0.7694 (mttm)
REVERT: d  131 MET cc_start: 0.6791 (OUTLIER) cc_final: 0.5961 (ttt)
REVERT: e   22 MET cc_start: 0.8135 (mmm) cc_final: 0.7294 (mpp)
REVERT: e   24 GLU cc_start: 0.5511 (OUTLIER) cc_final: 0.5290 (pm20)
REVERT: e   59 GLU cc_start: 0.7325 (tt0) cc_final: 0.7103 (tt0)
REVERT: e  113 GLU cc_start: 0.7128 (mp0) cc_final: 0.6682 (tp30)
REVERT: e  215 PHE cc_start: 0.7876 (OUTLIER) cc_final: 0.7119 (t80)
REVERT: f   59 GLU cc_start: 0.7030 (tt0) cc_final: 0.6787 (tt0)
REVERT: f  140 MET cc_start: 0.7722 (OUTLIER) cc_final: 0.7419 (mtp)
REVERT: f  215 PHE cc_start: 0.8020 (OUTLIER) cc_final: 0.6865 (t80)
REVERT: f  220 ARG cc_start: 0.7162 (tpp80) cc_final: 0.6398 (mtm110)
REVERT: g  215 PHE cc_start: 0.7696 (OUTLIER) cc_final: 0.6753 (t80)
REVERT: g  220 ARG cc_start: 0.7214 (tpp80) cc_final: 0.6460 (mtm110)
REVERT: h   24 GLU cc_start: 0.5108 (OUTLIER) cc_final: 0.4729 (pm20)
REVERT: h   80 MET cc_start: 0.7951 (mtp) cc_final: 0.7698 (mtm)
REVERT: h  220 ARG cc_start: 0.7287 (tpp80) cc_final: 0.6809 (mpt-90)
REVERT: i   22 MET cc_start: 0.7862 (mmm) cc_final: 0.7404 (mmp)
REVERT: i  120 LYS cc_start: 0.7595 (mttm) cc_final: 0.7265 (ttpp)
REVERT: i  160 VAL cc_start: 0.7482 (OUTLIER) cc_final: 0.7253 (m)
REVERT: j   59 GLU cc_start: 0.7038 (tt0) cc_final: 0.6795 (tt0)
REVERT: j  215 PHE cc_start: 0.8019 (OUTLIER) cc_final: 0.6861 (t80)
REVERT: j  220 ARG cc_start: 0.7161 (tpp80) cc_final: 0.6398 (mtm110)
REVERT: k  215 PHE cc_start: 0.7695 (OUTLIER) cc_final: 0.6753 (t80)
REVERT: k  220 ARG cc_start: 0.7214 (tpp80) cc_final: 0.6459 (mtm110)
REVERT: l   24 GLU cc_start: 0.5108 (OUTLIER) cc_final: 0.4728 (pm20)
REVERT: l   80 MET cc_start: 0.7951 (mtp) cc_final: 0.7699 (mtm)
REVERT: l  220 ARG cc_start: 0.7288 (tpp80) cc_final: 0.6810 (mpt-90)
REVERT: m   22 MET cc_start: 0.7861 (mmm) cc_final: 0.7403 (mmp)
REVERT: m  120 LYS cc_start: 0.7592 (mttm) cc_final: 0.7262 (ttpp)
REVERT: m  160 VAL cc_start: 0.7481 (OUTLIER) cc_final: 0.7252 (m)
REVERT: n   22 MET cc_start: 0.8157 (mmm) cc_final: 0.7300 (mpp)
REVERT: n   24 GLU cc_start: 0.5518 (OUTLIER) cc_final: 0.5289 (pm20)
REVERT: n  113 GLU cc_start: 0.7144 (mp0) cc_final: 0.6686 (tp30)
REVERT: n  215 PHE cc_start: 0.7881 (OUTLIER) cc_final: 0.7125 (t80)
REVERT: o  163 MET cc_start: 0.8077 (mmt) cc_final: 0.7537 (mpp)
REVERT: p  120 LYS cc_start: 0.8000 (mttm) cc_final: 0.7160 (ttpp)
REVERT: q   59 GLU cc_start: 0.7145 (tt0) cc_final: 0.6904 (tt0)
REVERT: s  215 PHE cc_start: 0.7945 (OUTLIER) cc_final: 0.6975 (t80)
REVERT: t  120 LYS cc_start: 0.8001 (mttm) cc_final: 0.7161 (ttpp)
REVERT: u   59 GLU cc_start: 0.7144 (tt0) cc_final: 0.6904 (tt0)
REVERT: w  215 PHE cc_start: 0.7944 (OUTLIER) cc_final: 0.6975 (t80)
REVERT: x  163 MET cc_start: 0.8078 (mmt) cc_final: 0.7537 (mpp)
  outliers start: 562
  outliers final: 445
  residues processed: 1803
  average time/residue: 0.8348
  time to fit residues: 2660.7417
Evaluate side-chains
  1806 residues out of total 9840 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 488
    poor density    : 1318
  time to evaluate  : 7.749 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   24 GLU
Chi-restraints excluded: chain A residue   61 THR
Chi-restraints excluded: chain A residue   99 VAL
Chi-restraints excluded: chain A residue  179 ASN
Chi-restraints excluded: chain A residue  196 VAL
Chi-restraints excluded: chain A residue  215 PHE
Chi-restraints excluded: chain B residue   24 GLU
Chi-restraints excluded: chain B residue   25 LEU
Chi-restraints excluded: chain B residue   74 LEU
Chi-restraints excluded: chain B residue   99 VAL
Chi-restraints excluded: chain B residue  111 LEU
Chi-restraints excluded: chain B residue  146 ILE
Chi-restraints excluded: chain B residue  160 VAL
Chi-restraints excluded: chain B residue  170 VAL
Chi-restraints excluded: chain B residue  179 ASN
Chi-restraints excluded: chain B residue  181 ASP
Chi-restraints excluded: chain C residue   24 GLU
Chi-restraints excluded: chain C residue   31 ILE
Chi-restraints excluded: chain C residue   35 LEU
Chi-restraints excluded: chain C residue  111 LEU
Chi-restraints excluded: chain C residue  146 ILE
Chi-restraints excluded: chain C residue  154 VAL
Chi-restraints excluded: chain C residue  179 ASN
Chi-restraints excluded: chain C residue  181 ASP
Chi-restraints excluded: chain C residue  215 PHE
Chi-restraints excluded: chain D residue   61 THR
Chi-restraints excluded: chain D residue   89 VAL
Chi-restraints excluded: chain D residue  137 VAL
Chi-restraints excluded: chain D residue  140 MET
Chi-restraints excluded: chain D residue  154 VAL
Chi-restraints excluded: chain D residue  194 VAL
Chi-restraints excluded: chain D residue  196 VAL
Chi-restraints excluded: chain D residue  215 PHE
Chi-restraints excluded: chain E residue   34 VAL
Chi-restraints excluded: chain E residue   89 VAL
Chi-restraints excluded: chain E residue   92 VAL
Chi-restraints excluded: chain E residue  145 THR
Chi-restraints excluded: chain E residue  154 VAL
Chi-restraints excluded: chain E residue  170 VAL
Chi-restraints excluded: chain E residue  179 ASN
Chi-restraints excluded: chain E residue  215 PHE
Chi-restraints excluded: chain E residue  219 ILE
Chi-restraints excluded: chain F residue   61 THR
Chi-restraints excluded: chain F residue   74 LEU
Chi-restraints excluded: chain F residue  110 HIS
Chi-restraints excluded: chain F residue  120 LYS
Chi-restraints excluded: chain F residue  124 VAL
Chi-restraints excluded: chain F residue  161 LYS
Chi-restraints excluded: chain F residue  178 VAL
Chi-restraints excluded: chain F residue  204 THR
Chi-restraints excluded: chain F residue  216 VAL
Chi-restraints excluded: chain F residue  222 CYS
Chi-restraints excluded: chain G residue   25 LEU
Chi-restraints excluded: chain G residue   39 SER
Chi-restraints excluded: chain G residue   61 THR
Chi-restraints excluded: chain G residue   89 VAL
Chi-restraints excluded: chain G residue  111 LEU
Chi-restraints excluded: chain G residue  124 VAL
Chi-restraints excluded: chain G residue  154 VAL
Chi-restraints excluded: chain G residue  179 ASN
Chi-restraints excluded: chain G residue  181 ASP
Chi-restraints excluded: chain G residue  215 PHE
Chi-restraints excluded: chain G residue  222 CYS
Chi-restraints excluded: chain H residue   22 MET
Chi-restraints excluded: chain H residue   24 GLU
Chi-restraints excluded: chain H residue   34 VAL
Chi-restraints excluded: chain H residue   39 SER
Chi-restraints excluded: chain H residue   92 VAL
Chi-restraints excluded: chain H residue  101 SER
Chi-restraints excluded: chain H residue  110 HIS
Chi-restraints excluded: chain H residue  154 VAL
Chi-restraints excluded: chain H residue  215 PHE
Chi-restraints excluded: chain I residue   22 MET
Chi-restraints excluded: chain I residue   31 ILE
Chi-restraints excluded: chain I residue   35 LEU
Chi-restraints excluded: chain I residue   38 ASN
Chi-restraints excluded: chain I residue  110 HIS
Chi-restraints excluded: chain I residue  131 MET
Chi-restraints excluded: chain I residue  160 VAL
Chi-restraints excluded: chain I residue  178 VAL
Chi-restraints excluded: chain I residue  179 ASN
Chi-restraints excluded: chain I residue  194 VAL
Chi-restraints excluded: chain I residue  219 ILE
Chi-restraints excluded: chain J residue   31 ILE
Chi-restraints excluded: chain J residue  140 MET
Chi-restraints excluded: chain J residue  145 THR
Chi-restraints excluded: chain J residue  160 VAL
Chi-restraints excluded: chain J residue  183 VAL
Chi-restraints excluded: chain K residue   31 ILE
Chi-restraints excluded: chain K residue   34 VAL
Chi-restraints excluded: chain K residue   38 ASN
Chi-restraints excluded: chain K residue   61 THR
Chi-restraints excluded: chain K residue  110 HIS
Chi-restraints excluded: chain K residue  115 ILE
Chi-restraints excluded: chain K residue  154 VAL
Chi-restraints excluded: chain K residue  181 ASP
Chi-restraints excluded: chain K residue  196 VAL
Chi-restraints excluded: chain L residue   31 ILE
Chi-restraints excluded: chain L residue   74 LEU
Chi-restraints excluded: chain L residue  145 THR
Chi-restraints excluded: chain L residue  178 VAL
Chi-restraints excluded: chain L residue  179 ASN
Chi-restraints excluded: chain L residue  192 LEU
Chi-restraints excluded: chain L residue  194 VAL
Chi-restraints excluded: chain M residue   31 ILE
Chi-restraints excluded: chain M residue  124 VAL
Chi-restraints excluded: chain M residue  136 LEU
Chi-restraints excluded: chain M residue  181 ASP
Chi-restraints excluded: chain M residue  185 GLU
Chi-restraints excluded: chain M residue  196 VAL
Chi-restraints excluded: chain N residue   25 LEU
Chi-restraints excluded: chain N residue   61 THR
Chi-restraints excluded: chain N residue   89 VAL
Chi-restraints excluded: chain N residue  111 LEU
Chi-restraints excluded: chain N residue  124 VAL
Chi-restraints excluded: chain N residue  154 VAL
Chi-restraints excluded: chain N residue  179 ASN
Chi-restraints excluded: chain N residue  215 PHE
Chi-restraints excluded: chain O residue   89 VAL
Chi-restraints excluded: chain O residue  145 THR
Chi-restraints excluded: chain O residue  154 VAL
Chi-restraints excluded: chain O residue  183 VAL
Chi-restraints excluded: chain O residue  215 PHE
Chi-restraints excluded: chain O residue  219 ILE
Chi-restraints excluded: chain P residue   31 ILE
Chi-restraints excluded: chain P residue   61 THR
Chi-restraints excluded: chain P residue  110 HIS
Chi-restraints excluded: chain P residue  124 VAL
Chi-restraints excluded: chain P residue  145 THR
Chi-restraints excluded: chain Q residue   31 ILE
Chi-restraints excluded: chain Q residue   32 VAL
Chi-restraints excluded: chain Q residue   39 SER
Chi-restraints excluded: chain Q residue   62 PHE
Chi-restraints excluded: chain Q residue   84 ILE
Chi-restraints excluded: chain Q residue   92 VAL
Chi-restraints excluded: chain Q residue  110 HIS
Chi-restraints excluded: chain Q residue  179 ASN
Chi-restraints excluded: chain Q residue  215 PHE
Chi-restraints excluded: chain Q residue  222 CYS
Chi-restraints excluded: chain R residue   23 GLU
Chi-restraints excluded: chain R residue   31 ILE
Chi-restraints excluded: chain R residue   62 PHE
Chi-restraints excluded: chain R residue   80 MET
Chi-restraints excluded: chain R residue   89 VAL
Chi-restraints excluded: chain R residue  110 HIS
Chi-restraints excluded: chain R residue  111 LEU
Chi-restraints excluded: chain R residue  215 PHE
Chi-restraints excluded: chain S residue   31 ILE
Chi-restraints excluded: chain S residue   38 ASN
Chi-restraints excluded: chain S residue   62 PHE
Chi-restraints excluded: chain S residue   69 THR
Chi-restraints excluded: chain S residue   77 LEU
Chi-restraints excluded: chain S residue   84 ILE
Chi-restraints excluded: chain S residue  110 HIS
Chi-restraints excluded: chain S residue  131 MET
Chi-restraints excluded: chain S residue  178 VAL
Chi-restraints excluded: chain S residue  196 VAL
Chi-restraints excluded: chain T residue   31 ILE
Chi-restraints excluded: chain T residue   34 VAL
Chi-restraints excluded: chain T residue   38 ASN
Chi-restraints excluded: chain T residue  110 HIS
Chi-restraints excluded: chain T residue  111 LEU
Chi-restraints excluded: chain T residue  147 LEU
Chi-restraints excluded: chain T residue  160 VAL
Chi-restraints excluded: chain U residue   31 ILE
Chi-restraints excluded: chain U residue   74 LEU
Chi-restraints excluded: chain U residue  145 THR
Chi-restraints excluded: chain U residue  178 VAL
Chi-restraints excluded: chain U residue  179 ASN
Chi-restraints excluded: chain U residue  192 LEU
Chi-restraints excluded: chain U residue  194 VAL
Chi-restraints excluded: chain V residue   31 ILE
Chi-restraints excluded: chain V residue  124 VAL
Chi-restraints excluded: chain V residue  136 LEU
Chi-restraints excluded: chain V residue  181 ASP
Chi-restraints excluded: chain V residue  185 GLU
Chi-restraints excluded: chain V residue  196 VAL
Chi-restraints excluded: chain W residue   25 LEU
Chi-restraints excluded: chain W residue   61 THR
Chi-restraints excluded: chain W residue   89 VAL
Chi-restraints excluded: chain W residue  111 LEU
Chi-restraints excluded: chain W residue  124 VAL
Chi-restraints excluded: chain W residue  154 VAL
Chi-restraints excluded: chain W residue  179 ASN
Chi-restraints excluded: chain W residue  215 PHE
Chi-restraints excluded: chain X residue   89 VAL
Chi-restraints excluded: chain X residue  145 THR
Chi-restraints excluded: chain X residue  154 VAL
Chi-restraints excluded: chain X residue  183 VAL
Chi-restraints excluded: chain X residue  215 PHE
Chi-restraints excluded: chain X residue  219 ILE
Chi-restraints excluded: chain Y residue   34 VAL
Chi-restraints excluded: chain Y residue   38 ASN
Chi-restraints excluded: chain Y residue   61 THR
Chi-restraints excluded: chain Y residue  110 HIS
Chi-restraints excluded: chain Y residue  115 ILE
Chi-restraints excluded: chain Y residue  154 VAL
Chi-restraints excluded: chain Y residue  181 ASP
Chi-restraints excluded: chain Y residue  196 VAL
Chi-restraints excluded: chain Z residue   39 SER
Chi-restraints excluded: chain Z residue   61 THR
Chi-restraints excluded: chain Z residue   89 VAL
Chi-restraints excluded: chain Z residue  111 LEU
Chi-restraints excluded: chain Z residue  124 VAL
Chi-restraints excluded: chain Z residue  154 VAL
Chi-restraints excluded: chain Z residue  179 ASN
Chi-restraints excluded: chain Z residue  181 ASP
Chi-restraints excluded: chain Z residue  215 PHE
Chi-restraints excluded: chain Z residue  222 CYS
Chi-restraints excluded: chain 0 residue   22 MET
Chi-restraints excluded: chain 0 residue   24 GLU
Chi-restraints excluded: chain 0 residue   92 VAL
Chi-restraints excluded: chain 0 residue  101 SER
Chi-restraints excluded: chain 0 residue  110 HIS
Chi-restraints excluded: chain 0 residue  154 VAL
Chi-restraints excluded: chain 0 residue  215 PHE
Chi-restraints excluded: chain 1 residue   22 MET
Chi-restraints excluded: chain 1 residue   31 ILE
Chi-restraints excluded: chain 1 residue   35 LEU
Chi-restraints excluded: chain 1 residue   38 ASN
Chi-restraints excluded: chain 1 residue  110 HIS
Chi-restraints excluded: chain 1 residue  131 MET
Chi-restraints excluded: chain 1 residue  160 VAL
Chi-restraints excluded: chain 1 residue  178 VAL
Chi-restraints excluded: chain 1 residue  179 ASN
Chi-restraints excluded: chain 1 residue  194 VAL
Chi-restraints excluded: chain 1 residue  219 ILE
Chi-restraints excluded: chain 2 residue   31 ILE
Chi-restraints excluded: chain 2 residue   69 THR
Chi-restraints excluded: chain 2 residue  145 THR
Chi-restraints excluded: chain 2 residue  160 VAL
Chi-restraints excluded: chain 2 residue  183 VAL
Chi-restraints excluded: chain 3 residue   61 THR
Chi-restraints excluded: chain 3 residue   74 LEU
Chi-restraints excluded: chain 3 residue  110 HIS
Chi-restraints excluded: chain 3 residue  111 LEU
Chi-restraints excluded: chain 3 residue  120 LYS
Chi-restraints excluded: chain 3 residue  124 VAL
Chi-restraints excluded: chain 3 residue  161 LYS
Chi-restraints excluded: chain 3 residue  178 VAL
Chi-restraints excluded: chain 3 residue  204 THR
Chi-restraints excluded: chain 3 residue  216 VAL
Chi-restraints excluded: chain 3 residue  222 CYS
Chi-restraints excluded: chain 4 residue   89 VAL
Chi-restraints excluded: chain 4 residue  145 THR
Chi-restraints excluded: chain 4 residue  154 VAL
Chi-restraints excluded: chain 4 residue  183 VAL
Chi-restraints excluded: chain 4 residue  215 PHE
Chi-restraints excluded: chain 4 residue  219 ILE
Chi-restraints excluded: chain 5 residue   34 VAL
Chi-restraints excluded: chain 5 residue   38 ASN
Chi-restraints excluded: chain 5 residue   61 THR
Chi-restraints excluded: chain 5 residue  110 HIS
Chi-restraints excluded: chain 5 residue  111 LEU
Chi-restraints excluded: chain 5 residue  154 VAL
Chi-restraints excluded: chain 5 residue  181 ASP
Chi-restraints excluded: chain 5 residue  196 VAL
Chi-restraints excluded: chain 6 residue   31 ILE
Chi-restraints excluded: chain 6 residue   74 LEU
Chi-restraints excluded: chain 6 residue  145 THR
Chi-restraints excluded: chain 6 residue  178 VAL
Chi-restraints excluded: chain 6 residue  179 ASN
Chi-restraints excluded: chain 6 residue  192 LEU
Chi-restraints excluded: chain 6 residue  194 VAL
Chi-restraints excluded: chain 7 residue   31 ILE
Chi-restraints excluded: chain 7 residue  124 VAL
Chi-restraints excluded: chain 7 residue  136 LEU
Chi-restraints excluded: chain 7 residue  181 ASP
Chi-restraints excluded: chain 7 residue  185 GLU
Chi-restraints excluded: chain 7 residue  196 VAL
Chi-restraints excluded: chain 8 residue   25 LEU
Chi-restraints excluded: chain 8 residue   89 VAL
Chi-restraints excluded: chain 8 residue  111 LEU
Chi-restraints excluded: chain 8 residue  124 VAL
Chi-restraints excluded: chain 8 residue  154 VAL
Chi-restraints excluded: chain 8 residue  179 ASN
Chi-restraints excluded: chain 8 residue  215 PHE
Chi-restraints excluded: chain 9 residue   31 ILE
Chi-restraints excluded: chain 9 residue   69 THR
Chi-restraints excluded: chain 9 residue  145 THR
Chi-restraints excluded: chain 9 residue  160 VAL
Chi-restraints excluded: chain 9 residue  183 VAL
Chi-restraints excluded: chain a residue   61 THR
Chi-restraints excluded: chain a residue   74 LEU
Chi-restraints excluded: chain a residue  110 HIS
Chi-restraints excluded: chain a residue  111 LEU
Chi-restraints excluded: chain a residue  120 LYS
Chi-restraints excluded: chain a residue  124 VAL
Chi-restraints excluded: chain a residue  161 LYS
Chi-restraints excluded: chain a residue  178 VAL
Chi-restraints excluded: chain a residue  216 VAL
Chi-restraints excluded: chain a residue  222 CYS
Chi-restraints excluded: chain b residue   25 LEU
Chi-restraints excluded: chain b residue   39 SER
Chi-restraints excluded: chain b residue   61 THR
Chi-restraints excluded: chain b residue   89 VAL
Chi-restraints excluded: chain b residue  111 LEU
Chi-restraints excluded: chain b residue  124 VAL
Chi-restraints excluded: chain b residue  154 VAL
Chi-restraints excluded: chain b residue  179 ASN
Chi-restraints excluded: chain b residue  181 ASP
Chi-restraints excluded: chain b residue  215 PHE
Chi-restraints excluded: chain b residue  222 CYS
Chi-restraints excluded: chain c residue   22 MET
Chi-restraints excluded: chain c residue   24 GLU
Chi-restraints excluded: chain c residue   34 VAL
Chi-restraints excluded: chain c residue   39 SER
Chi-restraints excluded: chain c residue   92 VAL
Chi-restraints excluded: chain c residue  101 SER
Chi-restraints excluded: chain c residue  110 HIS
Chi-restraints excluded: chain c residue  154 VAL
Chi-restraints excluded: chain c residue  215 PHE
Chi-restraints excluded: chain d residue   22 MET
Chi-restraints excluded: chain d residue   31 ILE
Chi-restraints excluded: chain d residue   35 LEU
Chi-restraints excluded: chain d residue   38 ASN
Chi-restraints excluded: chain d residue  110 HIS
Chi-restraints excluded: chain d residue  131 MET
Chi-restraints excluded: chain d residue  160 VAL
Chi-restraints excluded: chain d residue  178 VAL
Chi-restraints excluded: chain d residue  179 ASN
Chi-restraints excluded: chain d residue  194 VAL
Chi-restraints excluded: chain d residue  219 ILE
Chi-restraints excluded: chain e residue   24 GLU
Chi-restraints excluded: chain e residue   31 ILE
Chi-restraints excluded: chain e residue   35 LEU
Chi-restraints excluded: chain e residue  111 LEU
Chi-restraints excluded: chain e residue  146 ILE
Chi-restraints excluded: chain e residue  154 VAL
Chi-restraints excluded: chain e residue  179 ASN
Chi-restraints excluded: chain e residue  181 ASP
Chi-restraints excluded: chain e residue  215 PHE
Chi-restraints excluded: chain f residue   61 THR
Chi-restraints excluded: chain f residue   89 VAL
Chi-restraints excluded: chain f residue  140 MET
Chi-restraints excluded: chain f residue  154 VAL
Chi-restraints excluded: chain f residue  194 VAL
Chi-restraints excluded: chain f residue  196 VAL
Chi-restraints excluded: chain f residue  215 PHE
Chi-restraints excluded: chain g residue   34 VAL
Chi-restraints excluded: chain g residue   89 VAL
Chi-restraints excluded: chain g residue   92 VAL
Chi-restraints excluded: chain g residue  145 THR
Chi-restraints excluded: chain g residue  154 VAL
Chi-restraints excluded: chain g residue  170 VAL
Chi-restraints excluded: chain g residue  179 ASN
Chi-restraints excluded: chain g residue  215 PHE
Chi-restraints excluded: chain g residue  219 ILE
Chi-restraints excluded: chain h residue   24 GLU
Chi-restraints excluded: chain h residue   61 THR
Chi-restraints excluded: chain h residue   99 VAL
Chi-restraints excluded: chain h residue  179 ASN
Chi-restraints excluded: chain h residue  196 VAL
Chi-restraints excluded: chain h residue  215 PHE
Chi-restraints excluded: chain i residue   24 GLU
Chi-restraints excluded: chain i residue   25 LEU
Chi-restraints excluded: chain i residue   74 LEU
Chi-restraints excluded: chain i residue   99 VAL
Chi-restraints excluded: chain i residue  111 LEU
Chi-restraints excluded: chain i residue  146 ILE
Chi-restraints excluded: chain i residue  160 VAL
Chi-restraints excluded: chain i residue  170 VAL
Chi-restraints excluded: chain i residue  179 ASN
Chi-restraints excluded: chain i residue  181 ASP
Chi-restraints excluded: chain j residue   61 THR
Chi-restraints excluded: chain j residue   69 THR
Chi-restraints excluded: chain j residue   89 VAL
Chi-restraints excluded: chain j residue  110 HIS
Chi-restraints excluded: chain j residue  154 VAL
Chi-restraints excluded: chain j residue  173 VAL
Chi-restraints excluded: chain j residue  194 VAL
Chi-restraints excluded: chain j residue  196 VAL
Chi-restraints excluded: chain j residue  215 PHE
Chi-restraints excluded: chain k residue   34 VAL
Chi-restraints excluded: chain k residue   89 VAL
Chi-restraints excluded: chain k residue   92 VAL
Chi-restraints excluded: chain k residue  145 THR
Chi-restraints excluded: chain k residue  154 VAL
Chi-restraints excluded: chain k residue  170 VAL
Chi-restraints excluded: chain k residue  179 ASN
Chi-restraints excluded: chain k residue  215 PHE
Chi-restraints excluded: chain k residue  219 ILE
Chi-restraints excluded: chain l residue   24 GLU
Chi-restraints excluded: chain l residue   61 THR
Chi-restraints excluded: chain l residue   99 VAL
Chi-restraints excluded: chain l residue  179 ASN
Chi-restraints excluded: chain l residue  196 VAL
Chi-restraints excluded: chain l residue  215 PHE
Chi-restraints excluded: chain m residue   24 GLU
Chi-restraints excluded: chain m residue   25 LEU
Chi-restraints excluded: chain m residue   74 LEU
Chi-restraints excluded: chain m residue   99 VAL
Chi-restraints excluded: chain m residue  111 LEU
Chi-restraints excluded: chain m residue  146 ILE
Chi-restraints excluded: chain m residue  160 VAL
Chi-restraints excluded: chain m residue  170 VAL
Chi-restraints excluded: chain m residue  179 ASN
Chi-restraints excluded: chain m residue  181 ASP
Chi-restraints excluded: chain n residue   24 GLU
Chi-restraints excluded: chain n residue   31 ILE
Chi-restraints excluded: chain n residue   35 LEU
Chi-restraints excluded: chain n residue  111 LEU
Chi-restraints excluded: chain n residue  146 ILE
Chi-restraints excluded: chain n residue  154 VAL
Chi-restraints excluded: chain n residue  179 ASN
Chi-restraints excluded: chain n residue  181 ASP
Chi-restraints excluded: chain n residue  215 PHE
Chi-restraints excluded: chain o residue   23 GLU
Chi-restraints excluded: chain o residue   31 ILE
Chi-restraints excluded: chain o residue   62 PHE
Chi-restraints excluded: chain o residue   80 MET
Chi-restraints excluded: chain o residue   89 VAL
Chi-restraints excluded: chain o residue  110 HIS
Chi-restraints excluded: chain o residue  111 LEU
Chi-restraints excluded: chain o residue  181 ASP
Chi-restraints excluded: chain o residue  215 PHE
Chi-restraints excluded: chain p residue   31 ILE
Chi-restraints excluded: chain p residue   38 ASN
Chi-restraints excluded: chain p residue   62 PHE
Chi-restraints excluded: chain p residue   69 THR
Chi-restraints excluded: chain p residue   77 LEU
Chi-restraints excluded: chain p residue   84 ILE
Chi-restraints excluded: chain p residue  110 HIS
Chi-restraints excluded: chain p residue  131 MET
Chi-restraints excluded: chain p residue  178 VAL
Chi-restraints excluded: chain p residue  196 VAL
Chi-restraints excluded: chain q residue   31 ILE
Chi-restraints excluded: chain q residue   34 VAL
Chi-restraints excluded: chain q residue   38 ASN
Chi-restraints excluded: chain q residue  110 HIS
Chi-restraints excluded: chain q residue  111 LEU
Chi-restraints excluded: chain q residue  147 LEU
Chi-restraints excluded: chain q residue  160 VAL
Chi-restraints excluded: chain r residue   31 ILE
Chi-restraints excluded: chain r residue   61 THR
Chi-restraints excluded: chain r residue   84 ILE
Chi-restraints excluded: chain r residue  110 HIS
Chi-restraints excluded: chain r residue  124 VAL
Chi-restraints excluded: chain r residue  145 THR
Chi-restraints excluded: chain s residue   31 ILE
Chi-restraints excluded: chain s residue   32 VAL
Chi-restraints excluded: chain s residue   39 SER
Chi-restraints excluded: chain s residue   62 PHE
Chi-restraints excluded: chain s residue   84 ILE
Chi-restraints excluded: chain s residue   92 VAL
Chi-restraints excluded: chain s residue  110 HIS
Chi-restraints excluded: chain s residue  179 ASN
Chi-restraints excluded: chain s residue  215 PHE
Chi-restraints excluded: chain s residue  222 CYS
Chi-restraints excluded: chain t residue   31 ILE
Chi-restraints excluded: chain t residue   38 ASN
Chi-restraints excluded: chain t residue   62 PHE
Chi-restraints excluded: chain t residue   69 THR
Chi-restraints excluded: chain t residue   77 LEU
Chi-restraints excluded: chain t residue   84 ILE
Chi-restraints excluded: chain t residue  110 HIS
Chi-restraints excluded: chain t residue  131 MET
Chi-restraints excluded: chain t residue  178 VAL
Chi-restraints excluded: chain t residue  196 VAL
Chi-restraints excluded: chain u residue   31 ILE
Chi-restraints excluded: chain u residue   34 VAL
Chi-restraints excluded: chain u residue   38 ASN
Chi-restraints excluded: chain u residue  110 HIS
Chi-restraints excluded: chain u residue  147 LEU
Chi-restraints excluded: chain u residue  160 VAL
Chi-restraints excluded: chain v residue   31 ILE
Chi-restraints excluded: chain v residue   61 THR
Chi-restraints excluded: chain v residue   84 ILE
Chi-restraints excluded: chain v residue  110 HIS
Chi-restraints excluded: chain v residue  124 VAL
Chi-restraints excluded: chain v residue  145 THR
Chi-restraints excluded: chain w residue   31 ILE
Chi-restraints excluded: chain w residue   32 VAL
Chi-restraints excluded: chain w residue   39 SER
Chi-restraints excluded: chain w residue   62 PHE
Chi-restraints excluded: chain w residue   84 ILE
Chi-restraints excluded: chain w residue   92 VAL
Chi-restraints excluded: chain w residue  110 HIS
Chi-restraints excluded: chain w residue  179 ASN
Chi-restraints excluded: chain w residue  215 PHE
Chi-restraints excluded: chain w residue  222 CYS
Chi-restraints excluded: chain x residue   23 GLU
Chi-restraints excluded: chain x residue   31 ILE
Chi-restraints excluded: chain x residue   62 PHE
Chi-restraints excluded: chain x residue   89 VAL
Chi-restraints excluded: chain x residue  110 HIS
Chi-restraints excluded: chain x residue  111 LEU
Chi-restraints excluded: chain x residue  215 PHE
Rotamers are restrained with sigma=1.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 1200
   random chunks:
   chunk 1052 optimal weight:    0.6980
   chunk 1108 optimal weight:    3.9990
   chunk 1010 optimal weight:    0.6980
   chunk 1077 optimal weight:    1.9990
   chunk 1107 optimal weight:    0.7980
   chunk 648 optimal weight:    0.9980
   chunk 469 optimal weight:    2.9990
   chunk 846 optimal weight:    5.9990
   chunk 330 optimal weight:    2.9990
   chunk 973 optimal weight:    0.6980
   chunk 1019 optimal weight:    3.9990
   overall best weight:    0.7780

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

Flipped N/Q/H residues before XYZ refinement:
** C 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** D 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** F 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** N 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** O 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** W 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
X 110 HIS
** 3 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
4 110 HIS
** 8 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** a 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** e 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** f 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** j 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** l 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** n 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 2

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7502
moved from start:          0.8604

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.039  92820  Z= 0.192
  Angle     :  0.574  15.361 125160  Z= 0.282
  Chirality :  0.046   0.161  14700
  Planarity :  0.005   0.040  15720
  Dihedral  :  4.525  27.160  12240
  Min Nonbonded Distance : 2.126

Molprobity Statistics.
  All-atom Clashscore : 12.75
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  2.96 %
    Favored  : 97.04 %
  Rotamer:
    Outliers :  5.17 %
    Allowed  : 31.07 %
    Favored  : 63.76 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 10.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -0.04 (0.08), residues: 11940
  helix:  1.52 (0.07), residues: 6060
  sheet: -1.89 (0.13), residues: 1440
  loop : -1.56 (0.09), residues: 4440

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.008   0.001   TRP C 186 
 HIS   0.011   0.001   HIS M 110 
 PHE   0.030   0.001   PHE N 118 
 TYR   0.013   0.002   TYR x 126 
 ARG   0.008   0.001   ARG Z 220 

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

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

  23880 Ramachandran restraints generated.
    11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  23880 Ramachandran restraints generated.
    11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  1913 residues out of total 9840 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 509
    poor density    : 1404
  time to evaluate  : 7.971 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
REVERT: A   24 GLU cc_start: 0.4822 (OUTLIER) cc_final: 0.4495 (pm20)
REVERT: A   80 MET cc_start: 0.7982 (mtp) cc_final: 0.7707 (mtm)
REVERT: A  220 ARG cc_start: 0.7079 (tpp80) cc_final: 0.6709 (mpt-90)
REVERT: B   22 MET cc_start: 0.7839 (mmm) cc_final: 0.7391 (mmt)
REVERT: B  120 LYS cc_start: 0.7598 (mttm) cc_final: 0.7269 (ttpp)
REVERT: B  160 VAL cc_start: 0.7464 (OUTLIER) cc_final: 0.7252 (m)
REVERT: C   22 MET cc_start: 0.7994 (mmm) cc_final: 0.7145 (mpp)
REVERT: C   59 GLU cc_start: 0.7282 (tt0) cc_final: 0.7052 (tt0)
REVERT: D   59 GLU cc_start: 0.6931 (tt0) cc_final: 0.6708 (tt0)
REVERT: D  140 MET cc_start: 0.7714 (OUTLIER) cc_final: 0.7434 (mtp)
REVERT: D  210 GLU cc_start: 0.6862 (mt-10) cc_final: 0.6370 (mt-10)
REVERT: D  215 PHE cc_start: 0.7985 (OUTLIER) cc_final: 0.7037 (t80)
REVERT: D  220 ARG cc_start: 0.7161 (tpp80) cc_final: 0.6428 (mtm110)
REVERT: E  215 PHE cc_start: 0.7624 (OUTLIER) cc_final: 0.6596 (t80)
REVERT: E  220 ARG cc_start: 0.7182 (tpp80) cc_final: 0.6447 (mtm110)
REVERT: F  161 LYS cc_start: 0.8461 (OUTLIER) cc_final: 0.8214 (ttpt)
REVERT: H   22 MET cc_start: 0.7701 (OUTLIER) cc_final: 0.7219 (mmt)
REVERT: H   24 GLU cc_start: 0.4640 (OUTLIER) cc_final: 0.4332 (pm20)
REVERT: H  220 ARG cc_start: 0.7678 (tmm-80) cc_final: 0.7367 (mtm110)
REVERT: I   22 MET cc_start: 0.7099 (OUTLIER) cc_final: 0.6762 (mmp)
REVERT: I  131 MET cc_start: 0.6740 (OUTLIER) cc_final: 0.5854 (ttt)
REVERT: J   96 ARG cc_start: 0.7362 (ptt90) cc_final: 0.7143 (ptp-170)
REVERT: J  120 LYS cc_start: 0.7700 (mttm) cc_final: 0.7113 (ttpp)
REVERT: J  220 ARG cc_start: 0.7072 (mtm110) cc_final: 0.6526 (mmt90)
REVERT: K   96 ARG cc_start: 0.7728 (tmm-80) cc_final: 0.7070 (tpp80)
REVERT: L   22 MET cc_start: 0.7661 (mmt) cc_final: 0.7317 (mmm)
REVERT: L   96 ARG cc_start: 0.7368 (ttp80) cc_final: 0.6727 (ptp-110)
REVERT: L  120 LYS cc_start: 0.7774 (mttm) cc_final: 0.7300 (ttpp)
REVERT: L  217 GLU cc_start: 0.7626 (mm-30) cc_final: 0.7347 (mt-10)
REVERT: M   22 MET cc_start: 0.7300 (ppp) cc_final: 0.6823 (ppp)
REVERT: M   96 ARG cc_start: 0.6792 (ptp-110) cc_final: 0.6453 (ptp-170)
REVERT: M  111 LEU cc_start: 0.7955 (mt) cc_final: 0.7744 (mt)
REVERT: N  185 GLU cc_start: 0.7109 (tm-30) cc_final: 0.6769 (tt0)
REVERT: N  207 GLU cc_start: 0.7995 (tp30) cc_final: 0.7715 (tt0)
REVERT: N  215 PHE cc_start: 0.7834 (OUTLIER) cc_final: 0.6833 (t80)
REVERT: O  215 PHE cc_start: 0.7753 (OUTLIER) cc_final: 0.7396 (t80)
REVERT: P  163 MET cc_start: 0.7856 (tpp) cc_final: 0.7644 (tpp)
REVERT: Q  215 PHE cc_start: 0.7954 (OUTLIER) cc_final: 0.6990 (t80)
REVERT: R  163 MET cc_start: 0.7966 (mmt) cc_final: 0.7398 (mpp)
REVERT: S  120 LYS cc_start: 0.8032 (mttm) cc_final: 0.7234 (ttpp)
REVERT: T   59 GLU cc_start: 0.7096 (tt0) cc_final: 0.6878 (tt0)
REVERT: T  136 LEU cc_start: 0.8231 (tt) cc_final: 0.7975 (tt)
REVERT: U   22 MET cc_start: 0.7661 (mmt) cc_final: 0.7315 (mmm)
REVERT: U   96 ARG cc_start: 0.7368 (ttp80) cc_final: 0.6728 (ptp-110)
REVERT: U  120 LYS cc_start: 0.7771 (mttm) cc_final: 0.7297 (ttpp)
REVERT: U  217 GLU cc_start: 0.7625 (mm-30) cc_final: 0.7346 (mt-10)
REVERT: V   22 MET cc_start: 0.7300 (ppp) cc_final: 0.6824 (ppp)
REVERT: V   96 ARG cc_start: 0.6792 (ptp-110) cc_final: 0.6455 (ptp-170)
REVERT: V  111 LEU cc_start: 0.7958 (mt) cc_final: 0.7730 (mt)
REVERT: W  185 GLU cc_start: 0.7105 (tm-30) cc_final: 0.6762 (tt0)
REVERT: W  207 GLU cc_start: 0.7932 (tp30) cc_final: 0.7675 (tt0)
REVERT: W  215 PHE cc_start: 0.7836 (OUTLIER) cc_final: 0.6833 (t80)
REVERT: X  215 PHE cc_start: 0.7750 (OUTLIER) cc_final: 0.7389 (t80)
REVERT: Y   96 ARG cc_start: 0.7726 (tmm-80) cc_final: 0.7072 (tpp80)
REVERT: 0   22 MET cc_start: 0.7622 (OUTLIER) cc_final: 0.7134 (mmt)
REVERT: 0   24 GLU cc_start: 0.4637 (OUTLIER) cc_final: 0.4327 (pm20)
REVERT: 0  220 ARG cc_start: 0.7680 (tmm-80) cc_final: 0.7369 (mtm110)
REVERT: 1   22 MET cc_start: 0.7103 (OUTLIER) cc_final: 0.6766 (mmp)
REVERT: 1  131 MET cc_start: 0.6743 (OUTLIER) cc_final: 0.5861 (ttt)
REVERT: 2   96 ARG cc_start: 0.7372 (ptt90) cc_final: 0.7150 (ptp-170)
REVERT: 2  120 LYS cc_start: 0.7686 (mttm) cc_final: 0.7101 (ttpp)
REVERT: 2  220 ARG cc_start: 0.7071 (mtm110) cc_final: 0.6527 (mmt90)
REVERT: 3  111 LEU cc_start: 0.7936 (OUTLIER) cc_final: 0.7655 (tt)
REVERT: 3  161 LYS cc_start: 0.8461 (OUTLIER) cc_final: 0.8213 (ttpt)
REVERT: 4   58 ILE cc_start: 0.8392 (mm) cc_final: 0.8147 (mm)
REVERT: 4  215 PHE cc_start: 0.7754 (OUTLIER) cc_final: 0.7399 (t80)
REVERT: 5   96 ARG cc_start: 0.7746 (tmm-80) cc_final: 0.7072 (tpp80)
REVERT: 6   22 MET cc_start: 0.7661 (mmt) cc_final: 0.7316 (mmm)
REVERT: 6   96 ARG cc_start: 0.7368 (ttp80) cc_final: 0.6728 (ptp-110)
REVERT: 6  120 LYS cc_start: 0.7774 (mttm) cc_final: 0.7300 (ttpp)
REVERT: 6  217 GLU cc_start: 0.7626 (mm-30) cc_final: 0.7346 (mt-10)
REVERT: 7   22 MET cc_start: 0.7300 (ppp) cc_final: 0.6823 (ppp)
REVERT: 7   96 ARG cc_start: 0.6792 (ptp-110) cc_final: 0.6454 (ptp-170)
REVERT: 7  111 LEU cc_start: 0.7959 (mt) cc_final: 0.7729 (mt)
REVERT: 8  207 GLU cc_start: 0.7997 (tp30) cc_final: 0.7716 (tt0)
REVERT: 8  215 PHE cc_start: 0.7790 (OUTLIER) cc_final: 0.6802 (t80)
REVERT: 9   96 ARG cc_start: 0.7375 (ptt90) cc_final: 0.7153 (ptp-170)
REVERT: 9  120 LYS cc_start: 0.7688 (mttm) cc_final: 0.7101 (ttpp)
REVERT: 9  220 ARG cc_start: 0.7072 (mtm110) cc_final: 0.6528 (mmt90)
REVERT: a  111 LEU cc_start: 0.7932 (OUTLIER) cc_final: 0.7651 (tt)
REVERT: a  161 LYS cc_start: 0.8461 (OUTLIER) cc_final: 0.8213 (ttpt)
REVERT: c   22 MET cc_start: 0.7701 (OUTLIER) cc_final: 0.7218 (mmt)
REVERT: c   24 GLU cc_start: 0.4641 (OUTLIER) cc_final: 0.4333 (pm20)
REVERT: c  220 ARG cc_start: 0.7680 (tmm-80) cc_final: 0.7369 (mtm110)
REVERT: d   22 MET cc_start: 0.7128 (OUTLIER) cc_final: 0.6824 (mmp)
REVERT: d  131 MET cc_start: 0.6692 (OUTLIER) cc_final: 0.5792 (ttt)
REVERT: e   22 MET cc_start: 0.8001 (mmm) cc_final: 0.7152 (mpp)
REVERT: e   59 GLU cc_start: 0.7279 (tt0) cc_final: 0.7049 (tt0)
REVERT: e  113 GLU cc_start: 0.6925 (mp0) cc_final: 0.6593 (tp30)
REVERT: f   59 GLU cc_start: 0.6930 (tt0) cc_final: 0.6707 (tt0)
REVERT: f  140 MET cc_start: 0.7716 (OUTLIER) cc_final: 0.7437 (mtp)
REVERT: f  210 GLU cc_start: 0.6862 (mt-10) cc_final: 0.6370 (mt-10)
REVERT: f  215 PHE cc_start: 0.7984 (OUTLIER) cc_final: 0.7038 (t80)
REVERT: f  220 ARG cc_start: 0.7162 (tpp80) cc_final: 0.6428 (mtm110)
REVERT: g  215 PHE cc_start: 0.7625 (OUTLIER) cc_final: 0.6595 (t80)
REVERT: g  220 ARG cc_start: 0.7173 (tpp80) cc_final: 0.6435 (mtm110)
REVERT: h   24 GLU cc_start: 0.4836 (OUTLIER) cc_final: 0.4510 (pm20)
REVERT: h   80 MET cc_start: 0.7981 (mtp) cc_final: 0.7707 (mtm)
REVERT: h  220 ARG cc_start: 0.7080 (tpp80) cc_final: 0.6709 (mpt-90)
REVERT: i   22 MET cc_start: 0.7840 (mmm) cc_final: 0.7392 (mmt)
REVERT: i  120 LYS cc_start: 0.7600 (mttm) cc_final: 0.7271 (ttpp)
REVERT: i  160 VAL cc_start: 0.7465 (OUTLIER) cc_final: 0.7253 (m)
REVERT: j   59 GLU cc_start: 0.6951 (tt0) cc_final: 0.6717 (tt0)
REVERT: j  210 GLU cc_start: 0.6861 (mt-10) cc_final: 0.6368 (mt-10)
REVERT: j  215 PHE cc_start: 0.7985 (OUTLIER) cc_final: 0.7037 (t80)
REVERT: j  220 ARG cc_start: 0.7161 (tpp80) cc_final: 0.6429 (mtm110)
REVERT: k  215 PHE cc_start: 0.7625 (OUTLIER) cc_final: 0.6596 (t80)
REVERT: k  220 ARG cc_start: 0.7182 (tpp80) cc_final: 0.6446 (mtm110)
REVERT: l   24 GLU cc_start: 0.4836 (OUTLIER) cc_final: 0.4510 (pm20)
REVERT: l   80 MET cc_start: 0.7981 (mtp) cc_final: 0.7709 (mtm)
REVERT: l  220 ARG cc_start: 0.7080 (tpp80) cc_final: 0.6710 (mpt-90)
REVERT: m   22 MET cc_start: 0.7838 (mmm) cc_final: 0.7390 (mmt)
REVERT: m  120 LYS cc_start: 0.7640 (mttm) cc_final: 0.7298 (ttpp)
REVERT: m  160 VAL cc_start: 0.7464 (OUTLIER) cc_final: 0.7252 (m)
REVERT: n   22 MET cc_start: 0.8002 (mmm) cc_final: 0.7159 (mpp)
REVERT: n   24 GLU cc_start: 0.5322 (OUTLIER) cc_final: 0.5121 (pm20)
REVERT: o  163 MET cc_start: 0.7967 (mmt) cc_final: 0.7399 (mpp)
REVERT: p  120 LYS cc_start: 0.8032 (mttm) cc_final: 0.7235 (ttpp)
REVERT: q   59 GLU cc_start: 0.7098 (tt0) cc_final: 0.6879 (tt0)
REVERT: q  136 LEU cc_start: 0.8233 (tt) cc_final: 0.7975 (tt)
REVERT: r   74 LEU cc_start: 0.7969 (OUTLIER) cc_final: 0.7759 (tt)
REVERT: r  163 MET cc_start: 0.7855 (tpp) cc_final: 0.7646 (tpp)
REVERT: s  215 PHE cc_start: 0.7953 (OUTLIER) cc_final: 0.6989 (t80)
REVERT: t  120 LYS cc_start: 0.8033 (mttm) cc_final: 0.7235 (ttpp)
REVERT: u   59 GLU cc_start: 0.7097 (tt0) cc_final: 0.6879 (tt0)
REVERT: v  163 MET cc_start: 0.7854 (tpp) cc_final: 0.7644 (tpp)
REVERT: w  215 PHE cc_start: 0.7953 (OUTLIER) cc_final: 0.6989 (t80)
REVERT: x  163 MET cc_start: 0.7966 (mmt) cc_final: 0.7398 (mpp)
  outliers start: 509
  outliers final: 399
  residues processed: 1788
  average time/residue: 0.7811
  time to fit residues: 2458.2823
Evaluate side-chains
  1780 residues out of total 9840 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 441
    poor density    : 1339
  time to evaluate  : 7.869 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   24 GLU
Chi-restraints excluded: chain A residue   61 THR
Chi-restraints excluded: chain A residue   99 VAL
Chi-restraints excluded: chain A residue  179 ASN
Chi-restraints excluded: chain A residue  196 VAL
Chi-restraints excluded: chain A residue  215 PHE
Chi-restraints excluded: chain B residue   24 GLU
Chi-restraints excluded: chain B residue   25 LEU
Chi-restraints excluded: chain B residue   31 ILE
Chi-restraints excluded: chain B residue   74 LEU
Chi-restraints excluded: chain B residue   99 VAL
Chi-restraints excluded: chain B residue  111 LEU
Chi-restraints excluded: chain B residue  160 VAL
Chi-restraints excluded: chain B residue  170 VAL
Chi-restraints excluded: chain B residue  179 ASN
Chi-restraints excluded: chain C residue   31 ILE
Chi-restraints excluded: chain C residue   35 LEU
Chi-restraints excluded: chain C residue  111 LEU
Chi-restraints excluded: chain C residue  154 VAL
Chi-restraints excluded: chain C residue  179 ASN
Chi-restraints excluded: chain C residue  181 ASP
Chi-restraints excluded: chain C residue  185 GLU
Chi-restraints excluded: chain D residue   61 THR
Chi-restraints excluded: chain D residue   89 VAL
Chi-restraints excluded: chain D residue  137 VAL
Chi-restraints excluded: chain D residue  140 MET
Chi-restraints excluded: chain D residue  154 VAL
Chi-restraints excluded: chain D residue  194 VAL
Chi-restraints excluded: chain D residue  196 VAL
Chi-restraints excluded: chain D residue  215 PHE
Chi-restraints excluded: chain D residue  219 ILE
Chi-restraints excluded: chain E residue   34 VAL
Chi-restraints excluded: chain E residue   89 VAL
Chi-restraints excluded: chain E residue   92 VAL
Chi-restraints excluded: chain E residue  111 LEU
Chi-restraints excluded: chain E residue  145 THR
Chi-restraints excluded: chain E residue  154 VAL
Chi-restraints excluded: chain E residue  170 VAL
Chi-restraints excluded: chain E residue  179 ASN
Chi-restraints excluded: chain E residue  215 PHE
Chi-restraints excluded: chain E residue  219 ILE
Chi-restraints excluded: chain F residue   39 SER
Chi-restraints excluded: chain F residue   61 THR
Chi-restraints excluded: chain F residue   74 LEU
Chi-restraints excluded: chain F residue  110 HIS
Chi-restraints excluded: chain F residue  120 LYS
Chi-restraints excluded: chain F residue  124 VAL
Chi-restraints excluded: chain F residue  161 LYS
Chi-restraints excluded: chain F residue  178 VAL
Chi-restraints excluded: chain F residue  204 THR
Chi-restraints excluded: chain F residue  222 CYS
Chi-restraints excluded: chain G residue   25 LEU
Chi-restraints excluded: chain G residue   39 SER
Chi-restraints excluded: chain G residue   61 THR
Chi-restraints excluded: chain G residue   89 VAL
Chi-restraints excluded: chain G residue  111 LEU
Chi-restraints excluded: chain G residue  124 VAL
Chi-restraints excluded: chain G residue  154 VAL
Chi-restraints excluded: chain G residue  179 ASN
Chi-restraints excluded: chain G residue  215 PHE
Chi-restraints excluded: chain G residue  222 CYS
Chi-restraints excluded: chain H residue   22 MET
Chi-restraints excluded: chain H residue   24 GLU
Chi-restraints excluded: chain H residue   34 VAL
Chi-restraints excluded: chain H residue   39 SER
Chi-restraints excluded: chain H residue   92 VAL
Chi-restraints excluded: chain H residue  101 SER
Chi-restraints excluded: chain H residue  154 VAL
Chi-restraints excluded: chain I residue   22 MET
Chi-restraints excluded: chain I residue   24 GLU
Chi-restraints excluded: chain I residue   31 ILE
Chi-restraints excluded: chain I residue   35 LEU
Chi-restraints excluded: chain I residue   38 ASN
Chi-restraints excluded: chain I residue  110 HIS
Chi-restraints excluded: chain I residue  131 MET
Chi-restraints excluded: chain I residue  160 VAL
Chi-restraints excluded: chain I residue  178 VAL
Chi-restraints excluded: chain I residue  194 VAL
Chi-restraints excluded: chain J residue   31 ILE
Chi-restraints excluded: chain J residue   69 THR
Chi-restraints excluded: chain J residue  160 VAL
Chi-restraints excluded: chain J residue  183 VAL
Chi-restraints excluded: chain K residue   34 VAL
Chi-restraints excluded: chain K residue   38 ASN
Chi-restraints excluded: chain K residue   61 THR
Chi-restraints excluded: chain K residue  110 HIS
Chi-restraints excluded: chain K residue  154 VAL
Chi-restraints excluded: chain K residue  181 ASP
Chi-restraints excluded: chain K residue  196 VAL
Chi-restraints excluded: chain L residue   74 LEU
Chi-restraints excluded: chain L residue  145 THR
Chi-restraints excluded: chain L residue  178 VAL
Chi-restraints excluded: chain L residue  179 ASN
Chi-restraints excluded: chain L residue  192 LEU
Chi-restraints excluded: chain L residue  194 VAL
Chi-restraints excluded: chain M residue   31 ILE
Chi-restraints excluded: chain M residue  136 LEU
Chi-restraints excluded: chain M residue  185 GLU
Chi-restraints excluded: chain M residue  196 VAL
Chi-restraints excluded: chain N residue   89 VAL
Chi-restraints excluded: chain N residue  111 LEU
Chi-restraints excluded: chain N residue  124 VAL
Chi-restraints excluded: chain N residue  154 VAL
Chi-restraints excluded: chain N residue  179 ASN
Chi-restraints excluded: chain N residue  215 PHE
Chi-restraints excluded: chain O residue   89 VAL
Chi-restraints excluded: chain O residue  145 THR
Chi-restraints excluded: chain O residue  154 VAL
Chi-restraints excluded: chain O residue  183 VAL
Chi-restraints excluded: chain O residue  215 PHE
Chi-restraints excluded: chain O residue  219 ILE
Chi-restraints excluded: chain P residue   31 ILE
Chi-restraints excluded: chain P residue   61 THR
Chi-restraints excluded: chain P residue  110 HIS
Chi-restraints excluded: chain P residue  124 VAL
Chi-restraints excluded: chain Q residue   31 ILE
Chi-restraints excluded: chain Q residue   39 SER
Chi-restraints excluded: chain Q residue   62 PHE
Chi-restraints excluded: chain Q residue   84 ILE
Chi-restraints excluded: chain Q residue   92 VAL
Chi-restraints excluded: chain Q residue  110 HIS
Chi-restraints excluded: chain Q residue  179 ASN
Chi-restraints excluded: chain Q residue  215 PHE
Chi-restraints excluded: chain Q residue  222 CYS
Chi-restraints excluded: chain R residue   23 GLU
Chi-restraints excluded: chain R residue   31 ILE
Chi-restraints excluded: chain R residue   39 SER
Chi-restraints excluded: chain R residue   89 VAL
Chi-restraints excluded: chain R residue  110 HIS
Chi-restraints excluded: chain R residue  111 LEU
Chi-restraints excluded: chain R residue  215 PHE
Chi-restraints excluded: chain S residue   31 ILE
Chi-restraints excluded: chain S residue   38 ASN
Chi-restraints excluded: chain S residue   62 PHE
Chi-restraints excluded: chain S residue   69 THR
Chi-restraints excluded: chain S residue   77 LEU
Chi-restraints excluded: chain S residue  110 HIS
Chi-restraints excluded: chain S residue  131 MET
Chi-restraints excluded: chain S residue  178 VAL
Chi-restraints excluded: chain S residue  196 VAL
Chi-restraints excluded: chain T residue   31 ILE
Chi-restraints excluded: chain T residue   34 VAL
Chi-restraints excluded: chain T residue   38 ASN
Chi-restraints excluded: chain T residue  110 HIS
Chi-restraints excluded: chain T residue  160 VAL
Chi-restraints excluded: chain U residue   74 LEU
Chi-restraints excluded: chain U residue  145 THR
Chi-restraints excluded: chain U residue  178 VAL
Chi-restraints excluded: chain U residue  179 ASN
Chi-restraints excluded: chain U residue  192 LEU
Chi-restraints excluded: chain U residue  194 VAL
Chi-restraints excluded: chain V residue   31 ILE
Chi-restraints excluded: chain V residue  136 LEU
Chi-restraints excluded: chain V residue  185 GLU
Chi-restraints excluded: chain V residue  196 VAL
Chi-restraints excluded: chain W residue   89 VAL
Chi-restraints excluded: chain W residue  110 HIS
Chi-restraints excluded: chain W residue  111 LEU
Chi-restraints excluded: chain W residue  124 VAL
Chi-restraints excluded: chain W residue  154 VAL
Chi-restraints excluded: chain W residue  179 ASN
Chi-restraints excluded: chain W residue  215 PHE
Chi-restraints excluded: chain X residue   89 VAL
Chi-restraints excluded: chain X residue  145 THR
Chi-restraints excluded: chain X residue  154 VAL
Chi-restraints excluded: chain X residue  183 VAL
Chi-restraints excluded: chain X residue  215 PHE
Chi-restraints excluded: chain Y residue   34 VAL
Chi-restraints excluded: chain Y residue   38 ASN
Chi-restraints excluded: chain Y residue   61 THR
Chi-restraints excluded: chain Y residue  110 HIS
Chi-restraints excluded: chain Y residue  154 VAL
Chi-restraints excluded: chain Y residue  181 ASP
Chi-restraints excluded: chain Y residue  196 VAL
Chi-restraints excluded: chain Z residue   39 SER
Chi-restraints excluded: chain Z residue   61 THR
Chi-restraints excluded: chain Z residue   89 VAL
Chi-restraints excluded: chain Z residue  111 LEU
Chi-restraints excluded: chain Z residue  124 VAL
Chi-restraints excluded: chain Z residue  154 VAL
Chi-restraints excluded: chain Z residue  179 ASN
Chi-restraints excluded: chain Z residue  215 PHE
Chi-restraints excluded: chain Z residue  222 CYS
Chi-restraints excluded: chain 0 residue   22 MET
Chi-restraints excluded: chain 0 residue   24 GLU
Chi-restraints excluded: chain 0 residue   92 VAL
Chi-restraints excluded: chain 0 residue  101 SER
Chi-restraints excluded: chain 0 residue  154 VAL
Chi-restraints excluded: chain 1 residue   22 MET
Chi-restraints excluded: chain 1 residue   24 GLU
Chi-restraints excluded: chain 1 residue   31 ILE
Chi-restraints excluded: chain 1 residue   35 LEU
Chi-restraints excluded: chain 1 residue   38 ASN
Chi-restraints excluded: chain 1 residue  110 HIS
Chi-restraints excluded: chain 1 residue  127 MET
Chi-restraints excluded: chain 1 residue  131 MET
Chi-restraints excluded: chain 1 residue  160 VAL
Chi-restraints excluded: chain 1 residue  178 VAL
Chi-restraints excluded: chain 1 residue  194 VAL
Chi-restraints excluded: chain 2 residue   31 ILE
Chi-restraints excluded: chain 2 residue   69 THR
Chi-restraints excluded: chain 2 residue  160 VAL
Chi-restraints excluded: chain 2 residue  183 VAL
Chi-restraints excluded: chain 3 residue   39 SER
Chi-restraints excluded: chain 3 residue   61 THR
Chi-restraints excluded: chain 3 residue   74 LEU
Chi-restraints excluded: chain 3 residue  110 HIS
Chi-restraints excluded: chain 3 residue  111 LEU
Chi-restraints excluded: chain 3 residue  120 LYS
Chi-restraints excluded: chain 3 residue  124 VAL
Chi-restraints excluded: chain 3 residue  161 LYS
Chi-restraints excluded: chain 3 residue  178 VAL
Chi-restraints excluded: chain 3 residue  204 THR
Chi-restraints excluded: chain 3 residue  222 CYS
Chi-restraints excluded: chain 4 residue   89 VAL
Chi-restraints excluded: chain 4 residue  145 THR
Chi-restraints excluded: chain 4 residue  154 VAL
Chi-restraints excluded: chain 4 residue  183 VAL
Chi-restraints excluded: chain 4 residue  215 PHE
Chi-restraints excluded: chain 5 residue   34 VAL
Chi-restraints excluded: chain 5 residue   38 ASN
Chi-restraints excluded: chain 5 residue   61 THR
Chi-restraints excluded: chain 5 residue  110 HIS
Chi-restraints excluded: chain 5 residue  111 LEU
Chi-restraints excluded: chain 5 residue  154 VAL
Chi-restraints excluded: chain 5 residue  181 ASP
Chi-restraints excluded: chain 5 residue  196 VAL
Chi-restraints excluded: chain 6 residue   74 LEU
Chi-restraints excluded: chain 6 residue  145 THR
Chi-restraints excluded: chain 6 residue  178 VAL
Chi-restraints excluded: chain 6 residue  179 ASN
Chi-restraints excluded: chain 6 residue  192 LEU
Chi-restraints excluded: chain 6 residue  194 VAL
Chi-restraints excluded: chain 7 residue   31 ILE
Chi-restraints excluded: chain 7 residue  136 LEU
Chi-restraints excluded: chain 7 residue  185 GLU
Chi-restraints excluded: chain 7 residue  196 VAL
Chi-restraints excluded: chain 8 residue   89 VAL
Chi-restraints excluded: chain 8 residue  110 HIS
Chi-restraints excluded: chain 8 residue  111 LEU
Chi-restraints excluded: chain 8 residue  124 VAL
Chi-restraints excluded: chain 8 residue  154 VAL
Chi-restraints excluded: chain 8 residue  179 ASN
Chi-restraints excluded: chain 8 residue  215 PHE
Chi-restraints excluded: chain 9 residue   31 ILE
Chi-restraints excluded: chain 9 residue   69 THR
Chi-restraints excluded: chain 9 residue  160 VAL
Chi-restraints excluded: chain 9 residue  183 VAL
Chi-restraints excluded: chain a residue   39 SER
Chi-restraints excluded: chain a residue   61 THR
Chi-restraints excluded: chain a residue   74 LEU
Chi-restraints excluded: chain a residue  110 HIS
Chi-restraints excluded: chain a residue  111 LEU
Chi-restraints excluded: chain a residue  120 LYS
Chi-restraints excluded: chain a residue  124 VAL
Chi-restraints excluded: chain a residue  161 LYS
Chi-restraints excluded: chain a residue  178 VAL
Chi-restraints excluded: chain a residue  204 THR
Chi-restraints excluded: chain a residue  222 CYS
Chi-restraints excluded: chain b residue   25 LEU
Chi-restraints excluded: chain b residue   39 SER
Chi-restraints excluded: chain b residue   61 THR
Chi-restraints excluded: chain b residue   89 VAL
Chi-restraints excluded: chain b residue  111 LEU
Chi-restraints excluded: chain b residue  124 VAL
Chi-restraints excluded: chain b residue  154 VAL
Chi-restraints excluded: chain b residue  179 ASN
Chi-restraints excluded: chain b residue  215 PHE
Chi-restraints excluded: chain b residue  222 CYS
Chi-restraints excluded: chain c residue   22 MET
Chi-restraints excluded: chain c residue   24 GLU
Chi-restraints excluded: chain c residue   34 VAL
Chi-restraints excluded: chain c residue   39 SER
Chi-restraints excluded: chain c residue   92 VAL
Chi-restraints excluded: chain c residue  101 SER
Chi-restraints excluded: chain c residue  154 VAL
Chi-restraints excluded: chain d residue   22 MET
Chi-restraints excluded: chain d residue   24 GLU
Chi-restraints excluded: chain d residue   31 ILE
Chi-restraints excluded: chain d residue   35 LEU
Chi-restraints excluded: chain d residue   38 ASN
Chi-restraints excluded: chain d residue   89 VAL
Chi-restraints excluded: chain d residue  110 HIS
Chi-restraints excluded: chain d residue  131 MET
Chi-restraints excluded: chain d residue  160 VAL
Chi-restraints excluded: chain d residue  178 VAL
Chi-restraints excluded: chain d residue  194 VAL
Chi-restraints excluded: chain e residue   31 ILE
Chi-restraints excluded: chain e residue   35 LEU
Chi-restraints excluded: chain e residue  111 LEU
Chi-restraints excluded: chain e residue  154 VAL
Chi-restraints excluded: chain e residue  179 ASN
Chi-restraints excluded: chain e residue  181 ASP
Chi-restraints excluded: chain e residue  185 GLU
Chi-restraints excluded: chain f residue   61 THR
Chi-restraints excluded: chain f residue   89 VAL
Chi-restraints excluded: chain f residue  140 MET
Chi-restraints excluded: chain f residue  154 VAL
Chi-restraints excluded: chain f residue  194 VAL
Chi-restraints excluded: chain f residue  196 VAL
Chi-restraints excluded: chain f residue  215 PHE
Chi-restraints excluded: chain f residue  219 ILE
Chi-restraints excluded: chain g residue   34 VAL
Chi-restraints excluded: chain g residue   89 VAL
Chi-restraints excluded: chain g residue   92 VAL
Chi-restraints excluded: chain g residue  111 LEU
Chi-restraints excluded: chain g residue  145 THR
Chi-restraints excluded: chain g residue  154 VAL
Chi-restraints excluded: chain g residue  170 VAL
Chi-restraints excluded: chain g residue  179 ASN
Chi-restraints excluded: chain g residue  215 PHE
Chi-restraints excluded: chain g residue  219 ILE
Chi-restraints excluded: chain h residue   24 GLU
Chi-restraints excluded: chain h residue   61 THR
Chi-restraints excluded: chain h residue   99 VAL
Chi-restraints excluded: chain h residue  140 MET
Chi-restraints excluded: chain h residue  179 ASN
Chi-restraints excluded: chain h residue  196 VAL
Chi-restraints excluded: chain h residue  215 PHE
Chi-restraints excluded: chain i residue   24 GLU
Chi-restraints excluded: chain i residue   25 LEU
Chi-restraints excluded: chain i residue   74 LEU
Chi-restraints excluded: chain i residue   99 VAL
Chi-restraints excluded: chain i residue  111 LEU
Chi-restraints excluded: chain i residue  160 VAL
Chi-restraints excluded: chain i residue  170 VAL
Chi-restraints excluded: chain i residue  179 ASN
Chi-restraints excluded: chain j residue   61 THR
Chi-restraints excluded: chain j residue   89 VAL
Chi-restraints excluded: chain j residue  110 HIS
Chi-restraints excluded: chain j residue  111 LEU
Chi-restraints excluded: chain j residue  154 VAL
Chi-restraints excluded: chain j residue  173 VAL
Chi-restraints excluded: chain j residue  194 VAL
Chi-restraints excluded: chain j residue  196 VAL
Chi-restraints excluded: chain j residue  215 PHE
Chi-restraints excluded: chain j residue  219 ILE
Chi-restraints excluded: chain k residue   34 VAL
Chi-restraints excluded: chain k residue   89 VAL
Chi-restraints excluded: chain k residue   92 VAL
Chi-restraints excluded: chain k residue  111 LEU
Chi-restraints excluded: chain k residue  145 THR
Chi-restraints excluded: chain k residue  154 VAL
Chi-restraints excluded: chain k residue  170 VAL
Chi-restraints excluded: chain k residue  179 ASN
Chi-restraints excluded: chain k residue  215 PHE
Chi-restraints excluded: chain k residue  219 ILE
Chi-restraints excluded: chain l residue   24 GLU
Chi-restraints excluded: chain l residue   61 THR
Chi-restraints excluded: chain l residue   99 VAL
Chi-restraints excluded: chain l residue  140 MET
Chi-restraints excluded: chain l residue  179 ASN
Chi-restraints excluded: chain l residue  196 VAL
Chi-restraints excluded: chain l residue  215 PHE
Chi-restraints excluded: chain m residue   24 GLU
Chi-restraints excluded: chain m residue   25 LEU
Chi-restraints excluded: chain m residue   74 LEU
Chi-restraints excluded: chain m residue   99 VAL
Chi-restraints excluded: chain m residue  111 LEU
Chi-restraints excluded: chain m residue  160 VAL
Chi-restraints excluded: chain m residue  170 VAL
Chi-restraints excluded: chain m residue  179 ASN
Chi-restraints excluded: chain n residue   24 GLU
Chi-restraints excluded: chain n residue   31 ILE
Chi-restraints excluded: chain n residue   35 LEU
Chi-restraints excluded: chain n residue  111 LEU
Chi-restraints excluded: chain n residue  154 VAL
Chi-restraints excluded: chain n residue  179 ASN
Chi-restraints excluded: chain n residue  181 ASP
Chi-restraints excluded: chain n residue  185 GLU
Chi-restraints excluded: chain o residue   23 GLU
Chi-restraints excluded: chain o residue   31 ILE
Chi-restraints excluded: chain o residue   39 SER
Chi-restraints excluded: chain o residue   89 VAL
Chi-restraints excluded: chain o residue  110 HIS
Chi-restraints excluded: chain o residue  111 LEU
Chi-restraints excluded: chain o residue  215 PHE
Chi-restraints excluded: chain p residue   31 ILE
Chi-restraints excluded: chain p residue   38 ASN
Chi-restraints excluded: chain p residue   62 PHE
Chi-restraints excluded: chain p residue   69 THR
Chi-restraints excluded: chain p residue   77 LEU
Chi-restraints excluded: chain p residue  110 HIS
Chi-restraints excluded: chain p residue  131 MET
Chi-restraints excluded: chain p residue  178 VAL
Chi-restraints excluded: chain p residue  196 VAL
Chi-restraints excluded: chain q residue   31 ILE
Chi-restraints excluded: chain q residue   34 VAL
Chi-restraints excluded: chain q residue   38 ASN
Chi-restraints excluded: chain q residue  110 HIS
Chi-restraints excluded: chain q residue  160 VAL
Chi-restraints excluded: chain r residue   31 ILE
Chi-restraints excluded: chain r residue   61 THR
Chi-restraints excluded: chain r residue   74 LEU
Chi-restraints excluded: chain r residue   84 ILE
Chi-restraints excluded: chain r residue  110 HIS
Chi-restraints excluded: chain r residue  124 VAL
Chi-restraints excluded: chain s residue   31 ILE
Chi-restraints excluded: chain s residue   39 SER
Chi-restraints excluded: chain s residue   62 PHE
Chi-restraints excluded: chain s residue   84 ILE
Chi-restraints excluded: chain s residue   92 VAL
Chi-restraints excluded: chain s residue  110 HIS
Chi-restraints excluded: chain s residue  179 ASN
Chi-restraints excluded: chain s residue  215 PHE
Chi-restraints excluded: chain s residue  222 CYS
Chi-restraints excluded: chain t residue   31 ILE
Chi-restraints excluded: chain t residue   38 ASN
Chi-restraints excluded: chain t residue   62 PHE
Chi-restraints excluded: chain t residue   69 THR
Chi-restraints excluded: chain t residue   77 LEU
Chi-restraints excluded: chain t residue  110 HIS
Chi-restraints excluded: chain t residue  131 MET
Chi-restraints excluded: chain t residue  178 VAL
Chi-restraints excluded: chain t residue  196 VAL
Chi-restraints excluded: chain u residue   31 ILE
Chi-restraints excluded: chain u residue   34 VAL
Chi-restraints excluded: chain u residue   38 ASN
Chi-restraints excluded: chain u residue  110 HIS
Chi-restraints excluded: chain u residue  160 VAL
Chi-restraints excluded: chain v residue   31 ILE
Chi-restraints excluded: chain v residue   61 THR
Chi-restraints excluded: chain v residue   84 ILE
Chi-restraints excluded: chain v residue  110 HIS
Chi-restraints excluded: chain v residue  124 VAL
Chi-restraints excluded: chain w residue   31 ILE
Chi-restraints excluded: chain w residue   39 SER
Chi-restraints excluded: chain w residue   62 PHE
Chi-restraints excluded: chain w residue   84 ILE
Chi-restraints excluded: chain w residue   92 VAL
Chi-restraints excluded: chain w residue  110 HIS
Chi-restraints excluded: chain w residue  179 ASN
Chi-restraints excluded: chain w residue  215 PHE
Chi-restraints excluded: chain w residue  222 CYS
Chi-restraints excluded: chain x residue   23 GLU
Chi-restraints excluded: chain x residue   31 ILE
Chi-restraints excluded: chain x residue   39 SER
Chi-restraints excluded: chain x residue   89 VAL
Chi-restraints excluded: chain x residue  110 HIS
Chi-restraints excluded: chain x residue  111 LEU
Chi-restraints excluded: chain x residue  215 PHE
Rotamers are restrained with sigma=1.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 1200
   random chunks:
   chunk 1074 optimal weight:    0.9990
   chunk 707 optimal weight:   10.0000
   chunk 1139 optimal weight:    2.9990
   chunk 695 optimal weight:    0.5980
   chunk 540 optimal weight:    7.9990
   chunk 792 optimal weight:    0.7980
   chunk 1195 optimal weight:    0.0470
   chunk 1100 optimal weight:    7.9990
   chunk 951 optimal weight:    2.9990
   chunk 98 optimal weight:    2.9990
   chunk 735 optimal weight:    3.9990
   overall best weight:    1.0882

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

Flipped N/Q/H residues before XYZ refinement:
** A 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** C 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** D 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** F 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** N 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** O 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** W 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** X 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** Z 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** 0 182 ASN ** both conformations clash, **PLEASE CHECK MANUALLY**
** 3 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** 4 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** 8 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** a 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** b 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** e 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
f 110 HIS
** j 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** l 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** n 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 1

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7531
moved from start:          0.8826

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.039  92820  Z= 0.214
  Angle     :  0.585  14.391 125160  Z= 0.287
  Chirality :  0.047   0.175  14700
  Planarity :  0.005   0.036  15720
  Dihedral  :  4.527  27.059  12240
  Min Nonbonded Distance : 2.126

Molprobity Statistics.
  All-atom Clashscore : 13.08
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  3.92 %
    Favored  : 96.08 %
  Rotamer:
    Outliers :  5.11 %
    Allowed  : 31.19 %
    Favored  : 63.70 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 10.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole: -0.04 (0.08), residues: 11940
  helix:  1.52 (0.07), residues: 6060
  sheet: -1.84 (0.13), residues: 1440
  loop : -1.57 (0.09), residues: 4440

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.012   0.002   TRP C 186 
 HIS   0.012   0.001   HIS X 110 
 PHE   0.030   0.001   PHE 8 118 
 TYR   0.014   0.002   TYR R 126 
 ARG   0.009   0.001   ARG G 220 

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

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

  23880 Ramachandran restraints generated.
    11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  23880 Ramachandran restraints generated.
    11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  1866 residues out of total 9840 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 503
    poor density    : 1363
  time to evaluate  : 7.814 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
REVERT: A   24 GLU cc_start: 0.4933 (OUTLIER) cc_final: 0.4667 (pm20)
REVERT: A   80 MET cc_start: 0.7999 (mtp) cc_final: 0.7743 (mtm)
REVERT: A  220 ARG cc_start: 0.7189 (tpp80) cc_final: 0.6811 (mpt-90)
REVERT: B   22 MET cc_start: 0.7871 (mmm) cc_final: 0.7405 (mmt)
REVERT: B  120 LYS cc_start: 0.7742 (mttm) cc_final: 0.7407 (ttpp)
REVERT: B  160 VAL cc_start: 0.7501 (OUTLIER) cc_final: 0.7281 (m)
REVERT: B  220 ARG cc_start: 0.6935 (tpp80) cc_final: 0.6553 (mpt-90)
REVERT: C   22 MET cc_start: 0.7942 (mmm) cc_final: 0.7197 (mpp)
REVERT: C   59 GLU cc_start: 0.7341 (tt0) cc_final: 0.7129 (tt0)
REVERT: D   59 GLU cc_start: 0.7024 (tt0) cc_final: 0.6798 (tt0)
REVERT: D  140 MET cc_start: 0.7745 (OUTLIER) cc_final: 0.7531 (mtp)
REVERT: D  215 PHE cc_start: 0.7995 (OUTLIER) cc_final: 0.7170 (t80)
REVERT: D  220 ARG cc_start: 0.7118 (tpp80) cc_final: 0.6432 (mtm110)
REVERT: E  215 PHE cc_start: 0.7629 (OUTLIER) cc_final: 0.6591 (t80)
REVERT: E  220 ARG cc_start: 0.7145 (tpp80) cc_final: 0.6425 (mtm110)
REVERT: F  161 LYS cc_start: 0.8437 (OUTLIER) cc_final: 0.8223 (ttpt)
REVERT: H   22 MET cc_start: 0.7607 (OUTLIER) cc_final: 0.7038 (mmt)
REVERT: H   24 GLU cc_start: 0.4804 (OUTLIER) cc_final: 0.4593 (pm20)
REVERT: H  220 ARG cc_start: 0.7684 (tmm-80) cc_final: 0.7323 (mtm110)
REVERT: I   22 MET cc_start: 0.7199 (OUTLIER) cc_final: 0.6896 (mmp)
REVERT: I  131 MET cc_start: 0.6726 (OUTLIER) cc_final: 0.5882 (ttt)
REVERT: J   96 ARG cc_start: 0.7506 (ptt90) cc_final: 0.7201 (ptp-170)
REVERT: J  120 LYS cc_start: 0.7448 (mttm) cc_final: 0.6906 (ttpp)
REVERT: J  220 ARG cc_start: 0.7045 (mtm110) cc_final: 0.6655 (mmt90)
REVERT: K   22 MET cc_start: 0.7726 (mmp) cc_final: 0.7515 (mmp)
REVERT: K   96 ARG cc_start: 0.7737 (tmm-80) cc_final: 0.7084 (tpp80)
REVERT: L   96 ARG cc_start: 0.7334 (ttp80) cc_final: 0.6748 (ptp-110)
REVERT: L  120 LYS cc_start: 0.7766 (mttm) cc_final: 0.7300 (ttpp)
REVERT: L  217 GLU cc_start: 0.7688 (mm-30) cc_final: 0.7421 (mt-10)
REVERT: M   96 ARG cc_start: 0.6770 (ptp-110) cc_final: 0.6419 (ptp-170)
REVERT: N  120 LYS cc_start: 0.7563 (mmtt) cc_final: 0.7337 (ttpp)
REVERT: N  185 GLU cc_start: 0.7220 (tm-30) cc_final: 0.6852 (tt0)
REVERT: N  207 GLU cc_start: 0.8047 (tp30) cc_final: 0.7761 (tt0)
REVERT: N  215 PHE cc_start: 0.7785 (OUTLIER) cc_final: 0.6850 (t80)
REVERT: O  215 PHE cc_start: 0.7772 (OUTLIER) cc_final: 0.7398 (t80)
REVERT: P  163 MET cc_start: 0.7924 (tpp) cc_final: 0.7722 (tpp)
REVERT: Q  215 PHE cc_start: 0.7916 (OUTLIER) cc_final: 0.6957 (t80)
REVERT: R  163 MET cc_start: 0.8044 (mmt) cc_final: 0.7543 (mmt)
REVERT: S  120 LYS cc_start: 0.8052 (mttm) cc_final: 0.7275 (ttpp)
REVERT: S  207 GLU cc_start: 0.7971 (tp30) cc_final: 0.7709 (tt0)
REVERT: T   59 GLU cc_start: 0.7083 (tt0) cc_final: 0.6843 (tt0)
REVERT: T  136 LEU cc_start: 0.8250 (tt) cc_final: 0.7987 (tt)
REVERT: U   96 ARG cc_start: 0.7336 (ttp80) cc_final: 0.6748 (ptp-110)
REVERT: U  120 LYS cc_start: 0.7761 (mttm) cc_final: 0.7295 (ttpp)
REVERT: U  217 GLU cc_start: 0.7688 (mm-30) cc_final: 0.7426 (mt-10)
REVERT: V   96 ARG cc_start: 0.6771 (ptp-110) cc_final: 0.6421 (ptp-170)
REVERT: W  185 GLU cc_start: 0.7213 (tm-30) cc_final: 0.6845 (tt0)
REVERT: W  207 GLU cc_start: 0.8059 (tp30) cc_final: 0.7774 (tt0)
REVERT: W  215 PHE cc_start: 0.7786 (OUTLIER) cc_final: 0.6850 (t80)
REVERT: X  215 PHE cc_start: 0.7769 (OUTLIER) cc_final: 0.7393 (t80)
REVERT: Y   22 MET cc_start: 0.7750 (mmp) cc_final: 0.7547 (mmp)
REVERT: Y   96 ARG cc_start: 0.7734 (tmm-80) cc_final: 0.7085 (tpp80)
REVERT: 0   22 MET cc_start: 0.7666 (OUTLIER) cc_final: 0.7102 (mmt)
REVERT: 0   24 GLU cc_start: 0.4804 (OUTLIER) cc_final: 0.4590 (pm20)
REVERT: 0  220 ARG cc_start: 0.7688 (tmm-80) cc_final: 0.7334 (mtm110)
REVERT: 1   22 MET cc_start: 0.7202 (OUTLIER) cc_final: 0.6900 (mmp)
REVERT: 1  131 MET cc_start: 0.6736 (OUTLIER) cc_final: 0.5881 (ttt)
REVERT: 2   96 ARG cc_start: 0.7517 (ptt90) cc_final: 0.7212 (ptp-170)
REVERT: 2  120 LYS cc_start: 0.7588 (mttm) cc_final: 0.7031 (ttpp)
REVERT: 2  220 ARG cc_start: 0.7045 (mtm110) cc_final: 0.6656 (mmt90)
REVERT: 3  111 LEU cc_start: 0.8131 (OUTLIER) cc_final: 0.7840 (tt)
REVERT: 3  161 LYS cc_start: 0.8437 (OUTLIER) cc_final: 0.8222 (ttpt)
REVERT: 4   58 ILE cc_start: 0.8412 (mm) cc_final: 0.8132 (mt)
REVERT: 4  215 PHE cc_start: 0.7770 (OUTLIER) cc_final: 0.7398 (t80)
REVERT: 5   96 ARG cc_start: 0.7735 (tmm-80) cc_final: 0.7082 (tpp80)
REVERT: 6   96 ARG cc_start: 0.7335 (ttp80) cc_final: 0.6747 (ptp-110)
REVERT: 6  120 LYS cc_start: 0.7766 (mttm) cc_final: 0.7300 (ttpp)
REVERT: 6  217 GLU cc_start: 0.7688 (mm-30) cc_final: 0.7426 (mt-10)
REVERT: 7   96 ARG cc_start: 0.6771 (ptp-110) cc_final: 0.6420 (ptp-170)
REVERT: 8  207 GLU cc_start: 0.8050 (tp30) cc_final: 0.7764 (tt0)
REVERT: 8  215 PHE cc_start: 0.7784 (OUTLIER) cc_final: 0.6856 (t80)
REVERT: 9   96 ARG cc_start: 0.7520 (ptt90) cc_final: 0.7213 (ptp-170)
REVERT: 9  120 LYS cc_start: 0.7589 (mttm) cc_final: 0.7030 (ttpp)
REVERT: 9  220 ARG cc_start: 0.7046 (mtm110) cc_final: 0.6657 (mmt90)
REVERT: a  111 LEU cc_start: 0.8132 (OUTLIER) cc_final: 0.7841 (tt)
REVERT: a  161 LYS cc_start: 0.8436 (OUTLIER) cc_final: 0.8222 (ttpt)
REVERT: c   22 MET cc_start: 0.7573 (OUTLIER) cc_final: 0.7016 (mmt)
REVERT: c   24 GLU cc_start: 0.4804 (OUTLIER) cc_final: 0.4593 (pm20)
REVERT: c  220 ARG cc_start: 0.7685 (tmm-80) cc_final: 0.7332 (mtm110)
REVERT: d  131 MET cc_start: 0.6739 (OUTLIER) cc_final: 0.5893 (ttt)
REVERT: e   22 MET cc_start: 0.7947 (mmm) cc_final: 0.7206 (mpp)
REVERT: e   59 GLU cc_start: 0.7340 (tt0) cc_final: 0.7127 (tt0)
REVERT: f   59 GLU cc_start: 0.7026 (tt0) cc_final: 0.6802 (tt0)
REVERT: f  140 MET cc_start: 0.7746 (OUTLIER) cc_final: 0.7531 (mtp)
REVERT: f  215 PHE cc_start: 0.7994 (OUTLIER) cc_final: 0.7170 (t80)
REVERT: f  220 ARG cc_start: 0.7118 (tpp80) cc_final: 0.6432 (mtm110)
REVERT: g  215 PHE cc_start: 0.7630 (OUTLIER) cc_final: 0.6592 (t80)
REVERT: g  220 ARG cc_start: 0.7145 (tpp80) cc_final: 0.6425 (mtm110)
REVERT: h   24 GLU cc_start: 0.4949 (OUTLIER) cc_final: 0.4690 (pm20)
REVERT: h   80 MET cc_start: 0.7999 (mtp) cc_final: 0.7742 (mtm)
REVERT: h  220 ARG cc_start: 0.7189 (tpp80) cc_final: 0.6811 (mpt-90)
REVERT: i   22 MET cc_start: 0.7872 (mmm) cc_final: 0.7404 (mmt)
REVERT: i  120 LYS cc_start: 0.7743 (mttm) cc_final: 0.7409 (ttpp)
REVERT: i  160 VAL cc_start: 0.7501 (OUTLIER) cc_final: 0.7282 (m)
REVERT: i  220 ARG cc_start: 0.6934 (tpp80) cc_final: 0.6552 (mpt-90)
REVERT: j   59 GLU cc_start: 0.7042 (tt0) cc_final: 0.6799 (tt0)
REVERT: j  215 PHE cc_start: 0.8006 (OUTLIER) cc_final: 0.7184 (t80)
REVERT: j  220 ARG cc_start: 0.7067 (tpp80) cc_final: 0.6423 (mtm110)
REVERT: k  215 PHE cc_start: 0.7629 (OUTLIER) cc_final: 0.6592 (t80)
REVERT: k  220 ARG cc_start: 0.7145 (tpp80) cc_final: 0.6425 (mtm110)
REVERT: l   24 GLU cc_start: 0.4950 (OUTLIER) cc_final: 0.4680 (pm20)
REVERT: l   80 MET cc_start: 0.7999 (mtp) cc_final: 0.7747 (mtm)
REVERT: l  220 ARG cc_start: 0.7190 (tpp80) cc_final: 0.6812 (mpt-90)
REVERT: m   22 MET cc_start: 0.7871 (mmm) cc_final: 0.7406 (mmt)
REVERT: m  120 LYS cc_start: 0.7743 (mttm) cc_final: 0.7408 (ttpp)
REVERT: m  160 VAL cc_start: 0.7507 (OUTLIER) cc_final: 0.7289 (m)
REVERT: m  220 ARG cc_start: 0.6934 (tpp80) cc_final: 0.6553 (mpt-90)
REVERT: n   22 MET cc_start: 0.8011 (mmm) cc_final: 0.7082 (mpp)
REVERT: n   24 GLU cc_start: 0.5464 (OUTLIER) cc_final: 0.5245 (pm20)
REVERT: o  163 MET cc_start: 0.8044 (mmt) cc_final: 0.7543 (mmt)
REVERT: p  120 LYS cc_start: 0.8051 (mttm) cc_final: 0.7274 (ttpp)
REVERT: p  207 GLU cc_start: 0.7971 (tp30) cc_final: 0.7709 (tt0)
REVERT: q   59 GLU cc_start: 0.7082 (tt0) cc_final: 0.6836 (tt0)
REVERT: q  136 LEU cc_start: 0.8250 (tt) cc_final: 0.7986 (tt)
REVERT: r  163 MET cc_start: 0.7922 (tpp) cc_final: 0.7716 (tpp)
REVERT: s  215 PHE cc_start: 0.7915 (OUTLIER) cc_final: 0.6957 (t80)
REVERT: t  120 LYS cc_start: 0.8051 (mttm) cc_final: 0.7275 (ttpp)
REVERT: t  207 GLU cc_start: 0.7970 (tp30) cc_final: 0.7709 (tt0)
REVERT: u   59 GLU cc_start: 0.7081 (tt0) cc_final: 0.6843 (tt0)
REVERT: v  163 MET cc_start: 0.7923 (tpp) cc_final: 0.7716 (tpp)
REVERT: w  215 PHE cc_start: 0.7916 (OUTLIER) cc_final: 0.6959 (t80)
REVERT: x  163 MET cc_start: 0.8044 (mmt) cc_final: 0.7543 (mmt)
  outliers start: 503
  outliers final: 407
  residues processed: 1744
  average time/residue: 0.7822
  time to fit residues: 2402.1660
Evaluate side-chains
  1773 residues out of total 9840 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 447
    poor density    : 1326
  time to evaluate  : 7.787 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   24 GLU
Chi-restraints excluded: chain A residue   61 THR
Chi-restraints excluded: chain A residue   99 VAL
Chi-restraints excluded: chain A residue  179 ASN
Chi-restraints excluded: chain A residue  196 VAL
Chi-restraints excluded: chain A residue  215 PHE
Chi-restraints excluded: chain B residue   25 LEU
Chi-restraints excluded: chain B residue   31 ILE
Chi-restraints excluded: chain B residue   69 THR
Chi-restraints excluded: chain B residue   74 LEU
Chi-restraints excluded: chain B residue   99 VAL
Chi-restraints excluded: chain B residue  111 LEU
Chi-restraints excluded: chain B residue  160 VAL
Chi-restraints excluded: chain B residue  170 VAL
Chi-restraints excluded: chain B residue  179 ASN
Chi-restraints excluded: chain B residue  181 ASP
Chi-restraints excluded: chain B residue  196 VAL
Chi-restraints excluded: chain C residue   35 LEU
Chi-restraints excluded: chain C residue  111 LEU
Chi-restraints excluded: chain C residue  154 VAL
Chi-restraints excluded: chain C residue  179 ASN
Chi-restraints excluded: chain C residue  181 ASP
Chi-restraints excluded: chain C residue  185 GLU
Chi-restraints excluded: chain D residue   61 THR
Chi-restraints excluded: chain D residue   89 VAL
Chi-restraints excluded: chain D residue  137 VAL
Chi-restraints excluded: chain D residue  140 MET
Chi-restraints excluded: chain D residue  154 VAL
Chi-restraints excluded: chain D residue  194 VAL
Chi-restraints excluded: chain D residue  196 VAL
Chi-restraints excluded: chain D residue  215 PHE
Chi-restraints excluded: chain D residue  219 ILE
Chi-restraints excluded: chain E residue   34 VAL
Chi-restraints excluded: chain E residue   89 VAL
Chi-restraints excluded: chain E residue   92 VAL
Chi-restraints excluded: chain E residue  111 LEU
Chi-restraints excluded: chain E residue  154 VAL
Chi-restraints excluded: chain E residue  170 VAL
Chi-restraints excluded: chain E residue  179 ASN
Chi-restraints excluded: chain E residue  215 PHE
Chi-restraints excluded: chain E residue  219 ILE
Chi-restraints excluded: chain F residue   39 SER
Chi-restraints excluded: chain F residue   61 THR
Chi-restraints excluded: chain F residue   74 LEU
Chi-restraints excluded: chain F residue  110 HIS
Chi-restraints excluded: chain F residue  124 VAL
Chi-restraints excluded: chain F residue  161 LYS
Chi-restraints excluded: chain F residue  178 VAL
Chi-restraints excluded: chain F residue  181 ASP
Chi-restraints excluded: chain F residue  204 THR
Chi-restraints excluded: chain F residue  222 CYS
Chi-restraints excluded: chain G residue   39 SER
Chi-restraints excluded: chain G residue   61 THR
Chi-restraints excluded: chain G residue   89 VAL
Chi-restraints excluded: chain G residue  111 LEU
Chi-restraints excluded: chain G residue  124 VAL
Chi-restraints excluded: chain G residue  154 VAL
Chi-restraints excluded: chain G residue  179 ASN
Chi-restraints excluded: chain G residue  215 PHE
Chi-restraints excluded: chain G residue  222 CYS
Chi-restraints excluded: chain H residue   22 MET
Chi-restraints excluded: chain H residue   24 GLU
Chi-restraints excluded: chain H residue   34 VAL
Chi-restraints excluded: chain H residue   39 SER
Chi-restraints excluded: chain H residue   92 VAL
Chi-restraints excluded: chain H residue  101 SER
Chi-restraints excluded: chain H residue  154 VAL
Chi-restraints excluded: chain I residue   22 MET
Chi-restraints excluded: chain I residue   31 ILE
Chi-restraints excluded: chain I residue   35 LEU
Chi-restraints excluded: chain I residue  110 HIS
Chi-restraints excluded: chain I residue  131 MET
Chi-restraints excluded: chain I residue  160 VAL
Chi-restraints excluded: chain I residue  178 VAL
Chi-restraints excluded: chain I residue  194 VAL
Chi-restraints excluded: chain J residue   31 ILE
Chi-restraints excluded: chain J residue  160 VAL
Chi-restraints excluded: chain J residue  170 VAL
Chi-restraints excluded: chain J residue  183 VAL
Chi-restraints excluded: chain K residue   34 VAL
Chi-restraints excluded: chain K residue   38 ASN
Chi-restraints excluded: chain K residue   61 THR
Chi-restraints excluded: chain K residue  110 HIS
Chi-restraints excluded: chain K residue  154 VAL
Chi-restraints excluded: chain K residue  181 ASP
Chi-restraints excluded: chain K residue  196 VAL
Chi-restraints excluded: chain L residue   31 ILE
Chi-restraints excluded: chain L residue   74 LEU
Chi-restraints excluded: chain L residue  110 HIS
Chi-restraints excluded: chain L residue  145 THR
Chi-restraints excluded: chain L residue  178 VAL
Chi-restraints excluded: chain L residue  192 LEU
Chi-restraints excluded: chain L residue  194 VAL
Chi-restraints excluded: chain M residue   31 ILE
Chi-restraints excluded: chain M residue  136 LEU
Chi-restraints excluded: chain M residue  185 GLU
Chi-restraints excluded: chain M residue  196 VAL
Chi-restraints excluded: chain N residue   89 VAL
Chi-restraints excluded: chain N residue  111 LEU
Chi-restraints excluded: chain N residue  124 VAL
Chi-restraints excluded: chain N residue  154 VAL
Chi-restraints excluded: chain N residue  179 ASN
Chi-restraints excluded: chain N residue  215 PHE
Chi-restraints excluded: chain O residue   89 VAL
Chi-restraints excluded: chain O residue  145 THR
Chi-restraints excluded: chain O residue  154 VAL
Chi-restraints excluded: chain O residue  179 ASN
Chi-restraints excluded: chain O residue  183 VAL
Chi-restraints excluded: chain O residue  215 PHE
Chi-restraints excluded: chain O residue  219 ILE
Chi-restraints excluded: chain P residue   31 ILE
Chi-restraints excluded: chain P residue   61 THR
Chi-restraints excluded: chain P residue  110 HIS
Chi-restraints excluded: chain P residue  124 VAL
Chi-restraints excluded: chain Q residue   31 ILE
Chi-restraints excluded: chain Q residue   39 SER
Chi-restraints excluded: chain Q residue   62 PHE
Chi-restraints excluded: chain Q residue   84 ILE
Chi-restraints excluded: chain Q residue   92 VAL
Chi-restraints excluded: chain Q residue  110 HIS
Chi-restraints excluded: chain Q residue  179 ASN
Chi-restraints excluded: chain Q residue  215 PHE
Chi-restraints excluded: chain Q residue  222 CYS
Chi-restraints excluded: chain R residue   23 GLU
Chi-restraints excluded: chain R residue   31 ILE
Chi-restraints excluded: chain R residue   39 SER
Chi-restraints excluded: chain R residue   89 VAL
Chi-restraints excluded: chain R residue   92 VAL
Chi-restraints excluded: chain R residue  110 HIS
Chi-restraints excluded: chain R residue  111 LEU
Chi-restraints excluded: chain R residue  215 PHE
Chi-restraints excluded: chain S residue   31 ILE
Chi-restraints excluded: chain S residue   38 ASN
Chi-restraints excluded: chain S residue   62 PHE
Chi-restraints excluded: chain S residue   69 THR
Chi-restraints excluded: chain S residue   77 LEU
Chi-restraints excluded: chain S residue  110 HIS
Chi-restraints excluded: chain S residue  131 MET
Chi-restraints excluded: chain S residue  178 VAL
Chi-restraints excluded: chain S residue  196 VAL
Chi-restraints excluded: chain T residue   31 ILE
Chi-restraints excluded: chain T residue   34 VAL
Chi-restraints excluded: chain T residue   38 ASN
Chi-restraints excluded: chain T residue   69 THR
Chi-restraints excluded: chain T residue  110 HIS
Chi-restraints excluded: chain T residue  111 LEU
Chi-restraints excluded: chain U residue   31 ILE
Chi-restraints excluded: chain U residue   74 LEU
Chi-restraints excluded: chain U residue  145 THR
Chi-restraints excluded: chain U residue  178 VAL
Chi-restraints excluded: chain U residue  192 LEU
Chi-restraints excluded: chain U residue  194 VAL
Chi-restraints excluded: chain V residue   31 ILE
Chi-restraints excluded: chain V residue  136 LEU
Chi-restraints excluded: chain V residue  185 GLU
Chi-restraints excluded: chain V residue  196 VAL
Chi-restraints excluded: chain W residue   89 VAL
Chi-restraints excluded: chain W residue  110 HIS
Chi-restraints excluded: chain W residue  111 LEU
Chi-restraints excluded: chain W residue  124 VAL
Chi-restraints excluded: chain W residue  154 VAL
Chi-restraints excluded: chain W residue  179 ASN
Chi-restraints excluded: chain W residue  215 PHE
Chi-restraints excluded: chain X residue   89 VAL
Chi-restraints excluded: chain X residue  145 THR
Chi-restraints excluded: chain X residue  154 VAL
Chi-restraints excluded: chain X residue  179 ASN
Chi-restraints excluded: chain X residue  183 VAL
Chi-restraints excluded: chain X residue  215 PHE
Chi-restraints excluded: chain X residue  219 ILE
Chi-restraints excluded: chain Y residue   34 VAL
Chi-restraints excluded: chain Y residue   38 ASN
Chi-restraints excluded: chain Y residue   61 THR
Chi-restraints excluded: chain Y residue  110 HIS
Chi-restraints excluded: chain Y residue  154 VAL
Chi-restraints excluded: chain Y residue  181 ASP
Chi-restraints excluded: chain Y residue  196 VAL
Chi-restraints excluded: chain Z residue   39 SER
Chi-restraints excluded: chain Z residue   61 THR
Chi-restraints excluded: chain Z residue   89 VAL
Chi-restraints excluded: chain Z residue  111 LEU
Chi-restraints excluded: chain Z residue  124 VAL
Chi-restraints excluded: chain Z residue  154 VAL
Chi-restraints excluded: chain Z residue  179 ASN
Chi-restraints excluded: chain Z residue  215 PHE
Chi-restraints excluded: chain Z residue  222 CYS
Chi-restraints excluded: chain 0 residue   22 MET
Chi-restraints excluded: chain 0 residue   24 GLU
Chi-restraints excluded: chain 0 residue   92 VAL
Chi-restraints excluded: chain 0 residue  101 SER
Chi-restraints excluded: chain 0 residue  154 VAL
Chi-restraints excluded: chain 1 residue   22 MET
Chi-restraints excluded: chain 1 residue   31 ILE
Chi-restraints excluded: chain 1 residue   35 LEU
Chi-restraints excluded: chain 1 residue  110 HIS
Chi-restraints excluded: chain 1 residue  131 MET
Chi-restraints excluded: chain 1 residue  160 VAL
Chi-restraints excluded: chain 1 residue  178 VAL
Chi-restraints excluded: chain 1 residue  194 VAL
Chi-restraints excluded: chain 2 residue   31 ILE
Chi-restraints excluded: chain 2 residue   69 THR
Chi-restraints excluded: chain 2 residue  160 VAL
Chi-restraints excluded: chain 2 residue  183 VAL
Chi-restraints excluded: chain 3 residue   39 SER
Chi-restraints excluded: chain 3 residue   61 THR
Chi-restraints excluded: chain 3 residue   74 LEU
Chi-restraints excluded: chain 3 residue  110 HIS
Chi-restraints excluded: chain 3 residue  111 LEU
Chi-restraints excluded: chain 3 residue  124 VAL
Chi-restraints excluded: chain 3 residue  161 LYS
Chi-restraints excluded: chain 3 residue  178 VAL
Chi-restraints excluded: chain 3 residue  181 ASP
Chi-restraints excluded: chain 3 residue  204 THR
Chi-restraints excluded: chain 3 residue  222 CYS
Chi-restraints excluded: chain 4 residue   89 VAL
Chi-restraints excluded: chain 4 residue  145 THR
Chi-restraints excluded: chain 4 residue  154 VAL
Chi-restraints excluded: chain 4 residue  179 ASN
Chi-restraints excluded: chain 4 residue  183 VAL
Chi-restraints excluded: chain 4 residue  215 PHE
Chi-restraints excluded: chain 4 residue  219 ILE
Chi-restraints excluded: chain 5 residue   34 VAL
Chi-restraints excluded: chain 5 residue   38 ASN
Chi-restraints excluded: chain 5 residue   61 THR
Chi-restraints excluded: chain 5 residue  110 HIS
Chi-restraints excluded: chain 5 residue  111 LEU
Chi-restraints excluded: chain 5 residue  154 VAL
Chi-restraints excluded: chain 5 residue  181 ASP
Chi-restraints excluded: chain 5 residue  196 VAL
Chi-restraints excluded: chain 6 residue   31 ILE
Chi-restraints excluded: chain 6 residue   74 LEU
Chi-restraints excluded: chain 6 residue  110 HIS
Chi-restraints excluded: chain 6 residue  145 THR
Chi-restraints excluded: chain 6 residue  178 VAL
Chi-restraints excluded: chain 6 residue  192 LEU
Chi-restraints excluded: chain 6 residue  194 VAL
Chi-restraints excluded: chain 7 residue   31 ILE
Chi-restraints excluded: chain 7 residue  136 LEU
Chi-restraints excluded: chain 7 residue  185 GLU
Chi-restraints excluded: chain 7 residue  196 VAL
Chi-restraints excluded: chain 8 residue   89 VAL
Chi-restraints excluded: chain 8 residue  111 LEU
Chi-restraints excluded: chain 8 residue  124 VAL
Chi-restraints excluded: chain 8 residue  154 VAL
Chi-restraints excluded: chain 8 residue  179 ASN
Chi-restraints excluded: chain 8 residue  215 PHE
Chi-restraints excluded: chain 9 residue   31 ILE
Chi-restraints excluded: chain 9 residue   69 THR
Chi-restraints excluded: chain 9 residue  160 VAL
Chi-restraints excluded: chain 9 residue  183 VAL
Chi-restraints excluded: chain a residue   39 SER
Chi-restraints excluded: chain a residue   61 THR
Chi-restraints excluded: chain a residue   74 LEU
Chi-restraints excluded: chain a residue  110 HIS
Chi-restraints excluded: chain a residue  111 LEU
Chi-restraints excluded: chain a residue  124 VAL
Chi-restraints excluded: chain a residue  161 LYS
Chi-restraints excluded: chain a residue  178 VAL
Chi-restraints excluded: chain a residue  181 ASP
Chi-restraints excluded: chain a residue  204 THR
Chi-restraints excluded: chain a residue  222 CYS
Chi-restraints excluded: chain b residue   39 SER
Chi-restraints excluded: chain b residue   61 THR
Chi-restraints excluded: chain b residue   89 VAL
Chi-restraints excluded: chain b residue  111 LEU
Chi-restraints excluded: chain b residue  124 VAL
Chi-restraints excluded: chain b residue  154 VAL
Chi-restraints excluded: chain b residue  179 ASN
Chi-restraints excluded: chain b residue  215 PHE
Chi-restraints excluded: chain b residue  222 CYS
Chi-restraints excluded: chain c residue   22 MET
Chi-restraints excluded: chain c residue   24 GLU
Chi-restraints excluded: chain c residue   34 VAL
Chi-restraints excluded: chain c residue   39 SER
Chi-restraints excluded: chain c residue   92 VAL
Chi-restraints excluded: chain c residue  101 SER
Chi-restraints excluded: chain c residue  154 VAL
Chi-restraints excluded: chain d residue   22 MET
Chi-restraints excluded: chain d residue   31 ILE
Chi-restraints excluded: chain d residue   35 LEU
Chi-restraints excluded: chain d residue   89 VAL
Chi-restraints excluded: chain d residue  110 HIS
Chi-restraints excluded: chain d residue  131 MET
Chi-restraints excluded: chain d residue  160 VAL
Chi-restraints excluded: chain d residue  178 VAL
Chi-restraints excluded: chain d residue  194 VAL
Chi-restraints excluded: chain e residue   35 LEU
Chi-restraints excluded: chain e residue  111 LEU
Chi-restraints excluded: chain e residue  154 VAL
Chi-restraints excluded: chain e residue  179 ASN
Chi-restraints excluded: chain e residue  181 ASP
Chi-restraints excluded: chain e residue  185 GLU
Chi-restraints excluded: chain f residue   61 THR
Chi-restraints excluded: chain f residue   89 VAL
Chi-restraints excluded: chain f residue  140 MET
Chi-restraints excluded: chain f residue  154 VAL
Chi-restraints excluded: chain f residue  194 VAL
Chi-restraints excluded: chain f residue  196 VAL
Chi-restraints excluded: chain f residue  215 PHE
Chi-restraints excluded: chain f residue  219 ILE
Chi-restraints excluded: chain g residue   34 VAL
Chi-restraints excluded: chain g residue   89 VAL
Chi-restraints excluded: chain g residue   92 VAL
Chi-restraints excluded: chain g residue  111 LEU
Chi-restraints excluded: chain g residue  154 VAL
Chi-restraints excluded: chain g residue  170 VAL
Chi-restraints excluded: chain g residue  179 ASN
Chi-restraints excluded: chain g residue  215 PHE
Chi-restraints excluded: chain g residue  219 ILE
Chi-restraints excluded: chain h residue   24 GLU
Chi-restraints excluded: chain h residue   61 THR
Chi-restraints excluded: chain h residue   99 VAL
Chi-restraints excluded: chain h residue  179 ASN
Chi-restraints excluded: chain h residue  196 VAL
Chi-restraints excluded: chain h residue  215 PHE
Chi-restraints excluded: chain i residue   25 LEU
Chi-restraints excluded: chain i residue   31 ILE
Chi-restraints excluded: chain i residue   74 LEU
Chi-restraints excluded: chain i residue   99 VAL
Chi-restraints excluded: chain i residue  111 LEU
Chi-restraints excluded: chain i residue  160 VAL
Chi-restraints excluded: chain i residue  170 VAL
Chi-restraints excluded: chain i residue  179 ASN
Chi-restraints excluded: chain i residue  181 ASP
Chi-restraints excluded: chain i residue  196 VAL
Chi-restraints excluded: chain j residue   61 THR
Chi-restraints excluded: chain j residue   89 VAL
Chi-restraints excluded: chain j residue  110 HIS
Chi-restraints excluded: chain j residue  111 LEU
Chi-restraints excluded: chain j residue  154 VAL
Chi-restraints excluded: chain j residue  173 VAL
Chi-restraints excluded: chain j residue  194 VAL
Chi-restraints excluded: chain j residue  196 VAL
Chi-restraints excluded: chain j residue  215 PHE
Chi-restraints excluded: chain j residue  219 ILE
Chi-restraints excluded: chain k residue   34 VAL
Chi-restraints excluded: chain k residue   89 VAL
Chi-restraints excluded: chain k residue   92 VAL
Chi-restraints excluded: chain k residue  111 LEU
Chi-restraints excluded: chain k residue  154 VAL
Chi-restraints excluded: chain k residue  170 VAL
Chi-restraints excluded: chain k residue  179 ASN
Chi-restraints excluded: chain k residue  215 PHE
Chi-restraints excluded: chain k residue  219 ILE
Chi-restraints excluded: chain l residue   24 GLU
Chi-restraints excluded: chain l residue   61 THR
Chi-restraints excluded: chain l residue   99 VAL
Chi-restraints excluded: chain l residue  179 ASN
Chi-restraints excluded: chain l residue  196 VAL
Chi-restraints excluded: chain l residue  215 PHE
Chi-restraints excluded: chain m residue   25 LEU
Chi-restraints excluded: chain m residue   31 ILE
Chi-restraints excluded: chain m residue   74 LEU
Chi-restraints excluded: chain m residue   99 VAL
Chi-restraints excluded: chain m residue  111 LEU
Chi-restraints excluded: chain m residue  160 VAL
Chi-restraints excluded: chain m residue  170 VAL
Chi-restraints excluded: chain m residue  179 ASN
Chi-restraints excluded: chain m residue  181 ASP
Chi-restraints excluded: chain m residue  196 VAL
Chi-restraints excluded: chain n residue   24 GLU
Chi-restraints excluded: chain n residue   31 ILE
Chi-restraints excluded: chain n residue   35 LEU
Chi-restraints excluded: chain n residue  111 LEU
Chi-restraints excluded: chain n residue  154 VAL
Chi-restraints excluded: chain n residue  179 ASN
Chi-restraints excluded: chain n residue  181 ASP
Chi-restraints excluded: chain n residue  185 GLU
Chi-restraints excluded: chain o residue   23 GLU
Chi-restraints excluded: chain o residue   31 ILE
Chi-restraints excluded: chain o residue   39 SER
Chi-restraints excluded: chain o residue   89 VAL
Chi-restraints excluded: chain o residue   92 VAL
Chi-restraints excluded: chain o residue  110 HIS
Chi-restraints excluded: chain o residue  111 LEU
Chi-restraints excluded: chain o residue  215 PHE
Chi-restraints excluded: chain p residue   31 ILE
Chi-restraints excluded: chain p residue   38 ASN
Chi-restraints excluded: chain p residue   62 PHE
Chi-restraints excluded: chain p residue   69 THR
Chi-restraints excluded: chain p residue   77 LEU
Chi-restraints excluded: chain p residue  110 HIS
Chi-restraints excluded: chain p residue  131 MET
Chi-restraints excluded: chain p residue  178 VAL
Chi-restraints excluded: chain p residue  196 VAL
Chi-restraints excluded: chain q residue   31 ILE
Chi-restraints excluded: chain q residue   34 VAL
Chi-restraints excluded: chain q residue   38 ASN
Chi-restraints excluded: chain q residue   69 THR
Chi-restraints excluded: chain q residue  110 HIS
Chi-restraints excluded: chain q residue  111 LEU
Chi-restraints excluded: chain r residue   31 ILE
Chi-restraints excluded: chain r residue   61 THR
Chi-restraints excluded: chain r residue   84 ILE
Chi-restraints excluded: chain r residue  110 HIS
Chi-restraints excluded: chain r residue  124 VAL
Chi-restraints excluded: chain r residue  145 THR
Chi-restraints excluded: chain r residue  215 PHE
Chi-restraints excluded: chain s residue   31 ILE
Chi-restraints excluded: chain s residue   39 SER
Chi-restraints excluded: chain s residue   62 PHE
Chi-restraints excluded: chain s residue   84 ILE
Chi-restraints excluded: chain s residue   92 VAL
Chi-restraints excluded: chain s residue  110 HIS
Chi-restraints excluded: chain s residue  179 ASN
Chi-restraints excluded: chain s residue  215 PHE
Chi-restraints excluded: chain s residue  222 CYS
Chi-restraints excluded: chain t residue   31 ILE
Chi-restraints excluded: chain t residue   38 ASN
Chi-restraints excluded: chain t residue   62 PHE
Chi-restraints excluded: chain t residue   69 THR
Chi-restraints excluded: chain t residue   77 LEU
Chi-restraints excluded: chain t residue  110 HIS
Chi-restraints excluded: chain t residue  131 MET
Chi-restraints excluded: chain t residue  178 VAL
Chi-restraints excluded: chain t residue  196 VAL
Chi-restraints excluded: chain u residue   31 ILE
Chi-restraints excluded: chain u residue   34 VAL
Chi-restraints excluded: chain u residue   38 ASN
Chi-restraints excluded: chain u residue   69 THR
Chi-restraints excluded: chain u residue  110 HIS
Chi-restraints excluded: chain u residue  111 LEU
Chi-restraints excluded: chain u residue  160 VAL
Chi-restraints excluded: chain v residue   31 ILE
Chi-restraints excluded: chain v residue   61 THR
Chi-restraints excluded: chain v residue   84 ILE
Chi-restraints excluded: chain v residue  110 HIS
Chi-restraints excluded: chain v residue  124 VAL
Chi-restraints excluded: chain v residue  145 THR
Chi-restraints excluded: chain v residue  215 PHE
Chi-restraints excluded: chain w residue   31 ILE
Chi-restraints excluded: chain w residue   39 SER
Chi-restraints excluded: chain w residue   62 PHE
Chi-restraints excluded: chain w residue   84 ILE
Chi-restraints excluded: chain w residue   92 VAL
Chi-restraints excluded: chain w residue  110 HIS
Chi-restraints excluded: chain w residue  179 ASN
Chi-restraints excluded: chain w residue  215 PHE
Chi-restraints excluded: chain w residue  222 CYS
Chi-restraints excluded: chain x residue   23 GLU
Chi-restraints excluded: chain x residue   31 ILE
Chi-restraints excluded: chain x residue   39 SER
Chi-restraints excluded: chain x residue   89 VAL
Chi-restraints excluded: chain x residue   92 VAL
Chi-restraints excluded: chain x residue  110 HIS
Chi-restraints excluded: chain x residue  111 LEU
Chi-restraints excluded: chain x residue  215 PHE
Rotamers are restrained with sigma=1.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 1200
   random chunks:
   chunk 583 optimal weight:    0.9990
   chunk 756 optimal weight:    7.9990
   chunk 1014 optimal weight:    0.3980
   chunk 291 optimal weight:    0.8980
   chunk 877 optimal weight:    2.9990
   chunk 140 optimal weight:    7.9990
   chunk 264 optimal weight:    1.9990
   chunk 953 optimal weight:    0.4980
   chunk 399 optimal weight:    2.9990
   chunk 979 optimal weight:    1.9990
   chunk 120 optimal weight:    7.9990
   overall best weight:    0.9584

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

Flipped N/Q/H residues before XYZ refinement:
** A 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** C 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** D 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** F 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** N 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
O 110 HIS
** W 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
X 110 HIS
** Z 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** 3 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
4 110 HIS
** 8 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** a 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** b 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** e 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** h 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** j 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** l 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
** n 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**

Total number of N/Q/H flips: 3

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.4013 r_free = 0.4013 target = 0.153976 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 37)----------------|
| r_work = 0.3864 r_free = 0.3864 target = 0.139714 restraints weight = 154990.205|
|-----------------------------------------------------------------------------|
r_work (start): 0.3849 rms_B_bonded: 2.33
r_work: 0.3775 rms_B_bonded: 2.75 restraints_weight: 0.5000
r_work: 0.3649 rms_B_bonded: 4.83 restraints_weight: 0.2500
r_work (final): 0.3649
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.7648
moved from start:          0.8956

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.038  92820  Z= 0.201
  Angle     :  0.582  17.425 125160  Z= 0.284
  Chirality :  0.047   0.199  14700
  Planarity :  0.005   0.036  15720
  Dihedral  :  4.481  28.101  12240
  Min Nonbonded Distance : 2.132

Molprobity Statistics.
  All-atom Clashscore : 12.73
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  3.23 %
    Favored  : 96.77 %
  Rotamer:
    Outliers :  5.20 %
    Allowed  : 31.14 %
    Favored  : 63.66 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 10.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  0.01 (0.08), residues: 11940
  helix:  1.57 (0.07), residues: 6060
  sheet: -1.81 (0.13), residues: 1440
  loop : -1.57 (0.09), residues: 4440

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.012   0.002   TRP C 186 
 HIS   0.014   0.001   HIS f 110 
 PHE   0.030   0.001   PHE N 118 
 TYR   0.014   0.002   TYR x 126 
 ARG   0.009   0.001   ARG u 220 

===============================================================================
Job complete
usr+sys time: 35883.59 seconds
wall clock time: 623 minutes 53.20 seconds (37433.20 seconds total)