Starting phenix.real_space_refine
on Wed Apr 10 10:59:47 2024 by dcliebschner
===============================================================================

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

  Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8f25_28807/04_2024/8f25_28807.pdb
  Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8f25_28807/04_2024/8f25_28807.map

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

  Adding command-line PHIL:
  -------------------------
    refinement.macro_cycles=10
    scattering_table=electron
    resolution=2.6
    write_initial_geo_file=False

Final processed PHIL parameters:
-------------------------------------------------------------------------------
  data_manager {
    real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8f25_28807/04_2024/8f25_28807.map"
    default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8f25_28807/04_2024/8f25_28807.map"
    model {
      file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8f25_28807/04_2024/8f25_28807.pdb"
    }
    default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8f25_28807/04_2024/8f25_28807.pdb"
  }
  resolution = 2.6
  write_initial_geo_file = False
  refinement {
    macro_cycles = 10
  }
  qi {
    qm_restraints {
      package {
        program = *test
      }
    }
  }


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

Validating inputs
Origin is already at (0, 0, 0), no shifts will be applied
-------------------------------------------------------------------------------
Processing inputs
*****************
Set random seed
  Set to: 0
Set model cs if undefined
Decide on map wrapping
  Map wrapping is set to: False
Normalize map: mean=0, sd=1
  Input map: mean=   0.000 sd=   1.000
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     180      5.16       5
     C   44700      2.51       5
     N   12540      2.21       5
     O   13140      1.98       5
    sf(0) = scattering factor at diffraction angle 0.
Process input model

  Symmetric amino acids flipped
    Residue "A GLU    2": "OE1" <-> "OE2"
    Residue "A TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "A PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "A PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "A ASP   36": "OD1" <-> "OD2"
    Residue "A ASP   73": "OD1" <-> "OD2"
    Residue "A ASP   90": "OD1" <-> "OD2"
    Residue "A GLU   95": "OE1" <-> "OE2"
    Residue "A PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "A GLU  138": "OE1" <-> "OE2"
    Residue "B GLU    2": "OE1" <-> "OE2"
    Residue "B TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "B PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "B PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "B ASP   36": "OD1" <-> "OD2"
    Residue "B ASP   73": "OD1" <-> "OD2"
    Residue "B ASP   90": "OD1" <-> "OD2"
    Residue "B GLU   95": "OE1" <-> "OE2"
    Residue "B PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "B GLU  138": "OE1" <-> "OE2"
    Residue "C GLU    2": "OE1" <-> "OE2"
    Residue "C TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "C PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "C PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "C ASP   36": "OD1" <-> "OD2"
    Residue "C ASP   73": "OD1" <-> "OD2"
    Residue "C ASP   90": "OD1" <-> "OD2"
    Residue "C GLU   95": "OE1" <-> "OE2"
    Residue "C PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "C GLU  138": "OE1" <-> "OE2"
    Residue "D GLU    2": "OE1" <-> "OE2"
    Residue "D TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "D PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "D PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "D ASP   36": "OD1" <-> "OD2"
    Residue "D ASP   73": "OD1" <-> "OD2"
    Residue "D ASP   90": "OD1" <-> "OD2"
    Residue "D GLU   95": "OE1" <-> "OE2"
    Residue "D PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "D GLU  138": "OE1" <-> "OE2"
    Residue "E GLU    2": "OE1" <-> "OE2"
    Residue "E TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "E PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "E PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "E ASP   36": "OD1" <-> "OD2"
    Residue "E ASP   73": "OD1" <-> "OD2"
    Residue "E ASP   90": "OD1" <-> "OD2"
    Residue "E GLU   95": "OE1" <-> "OE2"
    Residue "E PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "E GLU  138": "OE1" <-> "OE2"
    Residue "F GLU    2": "OE1" <-> "OE2"
    Residue "F TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "F PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "F PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "F ASP   36": "OD1" <-> "OD2"
    Residue "F ASP   73": "OD1" <-> "OD2"
    Residue "F ASP   90": "OD1" <-> "OD2"
    Residue "F GLU   95": "OE1" <-> "OE2"
    Residue "F PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "F GLU  138": "OE1" <-> "OE2"
    Residue "G GLU    2": "OE1" <-> "OE2"
    Residue "G TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "G PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "G PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "G ASP   36": "OD1" <-> "OD2"
    Residue "G ASP   73": "OD1" <-> "OD2"
    Residue "G ASP   90": "OD1" <-> "OD2"
    Residue "G GLU   95": "OE1" <-> "OE2"
    Residue "G PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "G GLU  138": "OE1" <-> "OE2"
    Residue "H GLU    2": "OE1" <-> "OE2"
    Residue "H TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "H PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "H PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "H ASP   36": "OD1" <-> "OD2"
    Residue "H ASP   73": "OD1" <-> "OD2"
    Residue "H ASP   90": "OD1" <-> "OD2"
    Residue "H GLU   95": "OE1" <-> "OE2"
    Residue "H PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "H GLU  138": "OE1" <-> "OE2"
    Residue "I GLU    2": "OE1" <-> "OE2"
    Residue "I TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "I PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "I PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "I ASP   36": "OD1" <-> "OD2"
    Residue "I ASP   73": "OD1" <-> "OD2"
    Residue "I ASP   90": "OD1" <-> "OD2"
    Residue "I GLU   95": "OE1" <-> "OE2"
    Residue "I PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "I GLU  138": "OE1" <-> "OE2"
    Residue "J GLU    2": "OE1" <-> "OE2"
    Residue "J TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "J PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "J PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "J ASP   36": "OD1" <-> "OD2"
    Residue "J ASP   73": "OD1" <-> "OD2"
    Residue "J ASP   90": "OD1" <-> "OD2"
    Residue "J GLU   95": "OE1" <-> "OE2"
    Residue "J PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "J GLU  138": "OE1" <-> "OE2"
    Residue "K GLU    2": "OE1" <-> "OE2"
    Residue "K TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "K PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "K PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "K ASP   36": "OD1" <-> "OD2"
    Residue "K ASP   73": "OD1" <-> "OD2"
    Residue "K ASP   90": "OD1" <-> "OD2"
    Residue "K GLU   95": "OE1" <-> "OE2"
    Residue "K PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "K GLU  138": "OE1" <-> "OE2"
    Residue "L GLU    2": "OE1" <-> "OE2"
    Residue "L TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "L PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "L PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "L ASP   36": "OD1" <-> "OD2"
    Residue "L ASP   73": "OD1" <-> "OD2"
    Residue "L ASP   90": "OD1" <-> "OD2"
    Residue "L GLU   95": "OE1" <-> "OE2"
    Residue "L PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "L GLU  138": "OE1" <-> "OE2"
    Residue "M GLU    2": "OE1" <-> "OE2"
    Residue "M TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "M PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "M PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "M ASP   36": "OD1" <-> "OD2"
    Residue "M ASP   73": "OD1" <-> "OD2"
    Residue "M ASP   90": "OD1" <-> "OD2"
    Residue "M GLU   95": "OE1" <-> "OE2"
    Residue "M PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "M GLU  138": "OE1" <-> "OE2"
    Residue "N GLU    2": "OE1" <-> "OE2"
    Residue "N TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "N PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "N PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "N ASP   36": "OD1" <-> "OD2"
    Residue "N ASP   73": "OD1" <-> "OD2"
    Residue "N ASP   90": "OD1" <-> "OD2"
    Residue "N GLU   95": "OE1" <-> "OE2"
    Residue "N PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "N GLU  138": "OE1" <-> "OE2"
    Residue "O GLU    2": "OE1" <-> "OE2"
    Residue "O TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "O PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "O PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "O ASP   36": "OD1" <-> "OD2"
    Residue "O ASP   73": "OD1" <-> "OD2"
    Residue "O ASP   90": "OD1" <-> "OD2"
    Residue "O GLU   95": "OE1" <-> "OE2"
    Residue "O PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "O GLU  138": "OE1" <-> "OE2"
    Residue "P GLU    2": "OE1" <-> "OE2"
    Residue "P TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "P PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "P PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "P ASP   36": "OD1" <-> "OD2"
    Residue "P ASP   73": "OD1" <-> "OD2"
    Residue "P ASP   90": "OD1" <-> "OD2"
    Residue "P GLU   95": "OE1" <-> "OE2"
    Residue "P PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "P GLU  138": "OE1" <-> "OE2"
    Residue "Q GLU    2": "OE1" <-> "OE2"
    Residue "Q TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "Q PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "Q PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "Q ASP   36": "OD1" <-> "OD2"
    Residue "Q ASP   73": "OD1" <-> "OD2"
    Residue "Q ASP   90": "OD1" <-> "OD2"
    Residue "Q GLU   95": "OE1" <-> "OE2"
    Residue "Q PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "Q GLU  138": "OE1" <-> "OE2"
    Residue "R GLU    2": "OE1" <-> "OE2"
    Residue "R TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "R PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "R PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "R ASP   36": "OD1" <-> "OD2"
    Residue "R ASP   73": "OD1" <-> "OD2"
    Residue "R ASP   90": "OD1" <-> "OD2"
    Residue "R GLU   95": "OE1" <-> "OE2"
    Residue "R PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "R GLU  138": "OE1" <-> "OE2"
    Residue "S GLU    2": "OE1" <-> "OE2"
    Residue "S TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "S PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "S PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "S ASP   36": "OD1" <-> "OD2"
    Residue "S ASP   73": "OD1" <-> "OD2"
    Residue "S ASP   90": "OD1" <-> "OD2"
    Residue "S GLU   95": "OE1" <-> "OE2"
    Residue "S PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "S GLU  138": "OE1" <-> "OE2"
    Residue "T GLU    2": "OE1" <-> "OE2"
    Residue "T TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "T PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "T PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "T ASP   36": "OD1" <-> "OD2"
    Residue "T ASP   73": "OD1" <-> "OD2"
    Residue "T ASP   90": "OD1" <-> "OD2"
    Residue "T GLU   95": "OE1" <-> "OE2"
    Residue "T PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "T GLU  138": "OE1" <-> "OE2"
    Residue "U GLU    2": "OE1" <-> "OE2"
    Residue "U TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "U PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "U PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "U ASP   36": "OD1" <-> "OD2"
    Residue "U ASP   73": "OD1" <-> "OD2"
    Residue "U ASP   90": "OD1" <-> "OD2"
    Residue "U GLU   95": "OE1" <-> "OE2"
    Residue "U PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "U GLU  138": "OE1" <-> "OE2"
    Residue "V GLU    2": "OE1" <-> "OE2"
    Residue "V TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "V PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "V PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "V ASP   36": "OD1" <-> "OD2"
    Residue "V ASP   73": "OD1" <-> "OD2"
    Residue "V ASP   90": "OD1" <-> "OD2"
    Residue "V GLU   95": "OE1" <-> "OE2"
    Residue "V PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "V GLU  138": "OE1" <-> "OE2"
    Residue "W GLU    2": "OE1" <-> "OE2"
    Residue "W TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "W PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "W PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "W ASP   36": "OD1" <-> "OD2"
    Residue "W ASP   73": "OD1" <-> "OD2"
    Residue "W ASP   90": "OD1" <-> "OD2"
    Residue "W GLU   95": "OE1" <-> "OE2"
    Residue "W PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "W GLU  138": "OE1" <-> "OE2"
    Residue "X GLU    2": "OE1" <-> "OE2"
    Residue "X TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "X PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "X PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "X ASP   36": "OD1" <-> "OD2"
    Residue "X ASP   73": "OD1" <-> "OD2"
    Residue "X ASP   90": "OD1" <-> "OD2"
    Residue "X GLU   95": "OE1" <-> "OE2"
    Residue "X PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "X GLU  138": "OE1" <-> "OE2"
    Residue "Y GLU    2": "OE1" <-> "OE2"
    Residue "Y TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "Y PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "Y PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "Y ASP   36": "OD1" <-> "OD2"
    Residue "Y ASP   73": "OD1" <-> "OD2"
    Residue "Y ASP   90": "OD1" <-> "OD2"
    Residue "Y GLU   95": "OE1" <-> "OE2"
    Residue "Y PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "Y GLU  138": "OE1" <-> "OE2"
    Residue "Z GLU    2": "OE1" <-> "OE2"
    Residue "Z TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "Z PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "Z PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "Z ASP   36": "OD1" <-> "OD2"
    Residue "Z ASP   73": "OD1" <-> "OD2"
    Residue "Z ASP   90": "OD1" <-> "OD2"
    Residue "Z GLU   95": "OE1" <-> "OE2"
    Residue "Z PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "Z GLU  138": "OE1" <-> "OE2"
    Residue "0 GLU    2": "OE1" <-> "OE2"
    Residue "0 TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "0 PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "0 PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "0 ASP   36": "OD1" <-> "OD2"
    Residue "0 ASP   73": "OD1" <-> "OD2"
    Residue "0 ASP   90": "OD1" <-> "OD2"
    Residue "0 GLU   95": "OE1" <-> "OE2"
    Residue "0 PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "0 GLU  138": "OE1" <-> "OE2"
    Residue "1 GLU    2": "OE1" <-> "OE2"
    Residue "1 TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "1 PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "1 PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "1 ASP   36": "OD1" <-> "OD2"
    Residue "1 ASP   73": "OD1" <-> "OD2"
    Residue "1 ASP   90": "OD1" <-> "OD2"
    Residue "1 GLU   95": "OE1" <-> "OE2"
    Residue "1 PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "1 GLU  138": "OE1" <-> "OE2"
    Residue "2 GLU    2": "OE1" <-> "OE2"
    Residue "2 TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "2 PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "2 PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "2 ASP   36": "OD1" <-> "OD2"
    Residue "2 ASP   73": "OD1" <-> "OD2"
    Residue "2 ASP   90": "OD1" <-> "OD2"
    Residue "2 GLU   95": "OE1" <-> "OE2"
    Residue "2 PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "2 GLU  138": "OE1" <-> "OE2"
    Residue "3 GLU    2": "OE1" <-> "OE2"
    Residue "3 TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "3 PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "3 PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "3 ASP   36": "OD1" <-> "OD2"
    Residue "3 ASP   73": "OD1" <-> "OD2"
    Residue "3 ASP   90": "OD1" <-> "OD2"
    Residue "3 GLU   95": "OE1" <-> "OE2"
    Residue "3 PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "3 GLU  138": "OE1" <-> "OE2"
    Residue "4 GLU    2": "OE1" <-> "OE2"
    Residue "4 TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "4 PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "4 PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "4 ASP   36": "OD1" <-> "OD2"
    Residue "4 ASP   73": "OD1" <-> "OD2"
    Residue "4 ASP   90": "OD1" <-> "OD2"
    Residue "4 GLU   95": "OE1" <-> "OE2"
    Residue "4 PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "4 GLU  138": "OE1" <-> "OE2"
    Residue "5 GLU    2": "OE1" <-> "OE2"
    Residue "5 TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "5 PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "5 PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "5 ASP   36": "OD1" <-> "OD2"
    Residue "5 ASP   73": "OD1" <-> "OD2"
    Residue "5 ASP   90": "OD1" <-> "OD2"
    Residue "5 GLU   95": "OE1" <-> "OE2"
    Residue "5 PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "5 GLU  138": "OE1" <-> "OE2"
    Residue "6 GLU    2": "OE1" <-> "OE2"
    Residue "6 TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "6 PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "6 PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "6 ASP   36": "OD1" <-> "OD2"
    Residue "6 ASP   73": "OD1" <-> "OD2"
    Residue "6 ASP   90": "OD1" <-> "OD2"
    Residue "6 GLU   95": "OE1" <-> "OE2"
    Residue "6 PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "6 GLU  138": "OE1" <-> "OE2"
    Residue "7 GLU    2": "OE1" <-> "OE2"
    Residue "7 TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "7 PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "7 PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "7 ASP   36": "OD1" <-> "OD2"
    Residue "7 ASP   73": "OD1" <-> "OD2"
    Residue "7 ASP   90": "OD1" <-> "OD2"
    Residue "7 GLU   95": "OE1" <-> "OE2"
    Residue "7 PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "7 GLU  138": "OE1" <-> "OE2"
    Residue "8 GLU    2": "OE1" <-> "OE2"
    Residue "8 TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "8 PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "8 PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "8 ASP   36": "OD1" <-> "OD2"
    Residue "8 ASP   73": "OD1" <-> "OD2"
    Residue "8 ASP   90": "OD1" <-> "OD2"
    Residue "8 GLU   95": "OE1" <-> "OE2"
    Residue "8 PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "8 GLU  138": "OE1" <-> "OE2"
    Residue "9 GLU    2": "OE1" <-> "OE2"
    Residue "9 TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "9 PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "9 PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "9 ASP   36": "OD1" <-> "OD2"
    Residue "9 ASP   73": "OD1" <-> "OD2"
    Residue "9 ASP   90": "OD1" <-> "OD2"
    Residue "9 GLU   95": "OE1" <-> "OE2"
    Residue "9 PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "9 GLU  138": "OE1" <-> "OE2"
    Residue "a GLU    2": "OE1" <-> "OE2"
    Residue "a TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "a PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "a PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "a ASP   36": "OD1" <-> "OD2"
    Residue "a ASP   73": "OD1" <-> "OD2"
    Residue "a ASP   90": "OD1" <-> "OD2"
    Residue "a GLU   95": "OE1" <-> "OE2"
    Residue "a PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "a GLU  138": "OE1" <-> "OE2"
    Residue "b GLU    2": "OE1" <-> "OE2"
    Residue "b TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "b PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "b PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "b ASP   36": "OD1" <-> "OD2"
    Residue "b ASP   73": "OD1" <-> "OD2"
    Residue "b ASP   90": "OD1" <-> "OD2"
    Residue "b GLU   95": "OE1" <-> "OE2"
    Residue "b PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "b GLU  138": "OE1" <-> "OE2"
    Residue "c GLU    2": "OE1" <-> "OE2"
    Residue "c TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "c PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "c PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "c ASP   36": "OD1" <-> "OD2"
    Residue "c ASP   73": "OD1" <-> "OD2"
    Residue "c ASP   90": "OD1" <-> "OD2"
    Residue "c GLU   95": "OE1" <-> "OE2"
    Residue "c PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "c GLU  138": "OE1" <-> "OE2"
    Residue "d GLU    2": "OE1" <-> "OE2"
    Residue "d TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "d PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "d PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "d ASP   36": "OD1" <-> "OD2"
    Residue "d ASP   73": "OD1" <-> "OD2"
    Residue "d ASP   90": "OD1" <-> "OD2"
    Residue "d GLU   95": "OE1" <-> "OE2"
    Residue "d PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "d GLU  138": "OE1" <-> "OE2"
    Residue "e GLU    2": "OE1" <-> "OE2"
    Residue "e TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "e PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "e PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "e ASP   36": "OD1" <-> "OD2"
    Residue "e ASP   73": "OD1" <-> "OD2"
    Residue "e ASP   90": "OD1" <-> "OD2"
    Residue "e GLU   95": "OE1" <-> "OE2"
    Residue "e PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "e GLU  138": "OE1" <-> "OE2"
    Residue "f GLU    2": "OE1" <-> "OE2"
    Residue "f TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "f PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "f PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "f ASP   36": "OD1" <-> "OD2"
    Residue "f ASP   73": "OD1" <-> "OD2"
    Residue "f ASP   90": "OD1" <-> "OD2"
    Residue "f GLU   95": "OE1" <-> "OE2"
    Residue "f PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "f GLU  138": "OE1" <-> "OE2"
    Residue "g GLU    2": "OE1" <-> "OE2"
    Residue "g TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "g PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "g PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "g ASP   36": "OD1" <-> "OD2"
    Residue "g ASP   73": "OD1" <-> "OD2"
    Residue "g ASP   90": "OD1" <-> "OD2"
    Residue "g GLU   95": "OE1" <-> "OE2"
    Residue "g PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "g GLU  138": "OE1" <-> "OE2"
    Residue "h GLU    2": "OE1" <-> "OE2"
    Residue "h TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "h PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "h PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "h ASP   36": "OD1" <-> "OD2"
    Residue "h ASP   73": "OD1" <-> "OD2"
    Residue "h ASP   90": "OD1" <-> "OD2"
    Residue "h GLU   95": "OE1" <-> "OE2"
    Residue "h PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "h GLU  138": "OE1" <-> "OE2"
    Residue "i GLU    2": "OE1" <-> "OE2"
    Residue "i TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "i PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "i PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "i ASP   36": "OD1" <-> "OD2"
    Residue "i ASP   73": "OD1" <-> "OD2"
    Residue "i ASP   90": "OD1" <-> "OD2"
    Residue "i GLU   95": "OE1" <-> "OE2"
    Residue "i PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "i GLU  138": "OE1" <-> "OE2"
    Residue "j GLU    2": "OE1" <-> "OE2"
    Residue "j TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "j PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "j PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "j ASP   36": "OD1" <-> "OD2"
    Residue "j ASP   73": "OD1" <-> "OD2"
    Residue "j ASP   90": "OD1" <-> "OD2"
    Residue "j GLU   95": "OE1" <-> "OE2"
    Residue "j PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "j GLU  138": "OE1" <-> "OE2"
    Residue "k GLU    2": "OE1" <-> "OE2"
    Residue "k TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "k PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "k PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "k ASP   36": "OD1" <-> "OD2"
    Residue "k ASP   73": "OD1" <-> "OD2"
    Residue "k ASP   90": "OD1" <-> "OD2"
    Residue "k GLU   95": "OE1" <-> "OE2"
    Residue "k PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "k GLU  138": "OE1" <-> "OE2"
    Residue "l GLU    2": "OE1" <-> "OE2"
    Residue "l TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "l PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "l PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "l ASP   36": "OD1" <-> "OD2"
    Residue "l ASP   73": "OD1" <-> "OD2"
    Residue "l ASP   90": "OD1" <-> "OD2"
    Residue "l GLU   95": "OE1" <-> "OE2"
    Residue "l PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "l GLU  138": "OE1" <-> "OE2"
    Residue "m GLU    2": "OE1" <-> "OE2"
    Residue "m TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "m PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "m PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "m ASP   36": "OD1" <-> "OD2"
    Residue "m ASP   73": "OD1" <-> "OD2"
    Residue "m ASP   90": "OD1" <-> "OD2"
    Residue "m GLU   95": "OE1" <-> "OE2"
    Residue "m PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "m GLU  138": "OE1" <-> "OE2"
    Residue "n GLU    2": "OE1" <-> "OE2"
    Residue "n TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "n PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "n PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "n ASP   36": "OD1" <-> "OD2"
    Residue "n ASP   73": "OD1" <-> "OD2"
    Residue "n ASP   90": "OD1" <-> "OD2"
    Residue "n GLU   95": "OE1" <-> "OE2"
    Residue "n PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "n GLU  138": "OE1" <-> "OE2"
    Residue "o GLU    2": "OE1" <-> "OE2"
    Residue "o TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "o PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "o PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "o ASP   36": "OD1" <-> "OD2"
    Residue "o ASP   73": "OD1" <-> "OD2"
    Residue "o ASP   90": "OD1" <-> "OD2"
    Residue "o GLU   95": "OE1" <-> "OE2"
    Residue "o PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "o GLU  138": "OE1" <-> "OE2"
    Residue "p GLU    2": "OE1" <-> "OE2"
    Residue "p TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "p PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "p PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "p ASP   36": "OD1" <-> "OD2"
    Residue "p ASP   73": "OD1" <-> "OD2"
    Residue "p ASP   90": "OD1" <-> "OD2"
    Residue "p GLU   95": "OE1" <-> "OE2"
    Residue "p PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "p GLU  138": "OE1" <-> "OE2"
    Residue "q GLU    2": "OE1" <-> "OE2"
    Residue "q TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "q PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "q PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "q ASP   36": "OD1" <-> "OD2"
    Residue "q ASP   73": "OD1" <-> "OD2"
    Residue "q ASP   90": "OD1" <-> "OD2"
    Residue "q GLU   95": "OE1" <-> "OE2"
    Residue "q PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "q GLU  138": "OE1" <-> "OE2"
    Residue "r GLU    2": "OE1" <-> "OE2"
    Residue "r TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "r PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "r PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "r ASP   36": "OD1" <-> "OD2"
    Residue "r ASP   73": "OD1" <-> "OD2"
    Residue "r ASP   90": "OD1" <-> "OD2"
    Residue "r GLU   95": "OE1" <-> "OE2"
    Residue "r PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "r GLU  138": "OE1" <-> "OE2"
    Residue "s GLU    2": "OE1" <-> "OE2"
    Residue "s TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "s PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "s PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "s ASP   36": "OD1" <-> "OD2"
    Residue "s ASP   73": "OD1" <-> "OD2"
    Residue "s ASP   90": "OD1" <-> "OD2"
    Residue "s GLU   95": "OE1" <-> "OE2"
    Residue "s PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "s GLU  138": "OE1" <-> "OE2"
    Residue "t GLU    2": "OE1" <-> "OE2"
    Residue "t TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "t PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "t PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "t ASP   36": "OD1" <-> "OD2"
    Residue "t ASP   73": "OD1" <-> "OD2"
    Residue "t ASP   90": "OD1" <-> "OD2"
    Residue "t GLU   95": "OE1" <-> "OE2"
    Residue "t PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "t GLU  138": "OE1" <-> "OE2"
    Residue "u GLU    2": "OE1" <-> "OE2"
    Residue "u TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "u PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "u PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "u ASP   36": "OD1" <-> "OD2"
    Residue "u ASP   73": "OD1" <-> "OD2"
    Residue "u ASP   90": "OD1" <-> "OD2"
    Residue "u GLU   95": "OE1" <-> "OE2"
    Residue "u PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "u GLU  138": "OE1" <-> "OE2"
    Residue "v GLU    2": "OE1" <-> "OE2"
    Residue "v TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "v PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "v PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "v ASP   36": "OD1" <-> "OD2"
    Residue "v ASP   73": "OD1" <-> "OD2"
    Residue "v ASP   90": "OD1" <-> "OD2"
    Residue "v GLU   95": "OE1" <-> "OE2"
    Residue "v PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "v GLU  138": "OE1" <-> "OE2"
    Residue "w GLU    2": "OE1" <-> "OE2"
    Residue "w TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "w PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "w PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "w ASP   36": "OD1" <-> "OD2"
    Residue "w ASP   73": "OD1" <-> "OD2"
    Residue "w ASP   90": "OD1" <-> "OD2"
    Residue "w GLU   95": "OE1" <-> "OE2"
    Residue "w PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "w GLU  138": "OE1" <-> "OE2"
    Residue "x GLU    2": "OE1" <-> "OE2"
    Residue "x TYR    4": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "x PHE   15": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "x PHE   22": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "x ASP   36": "OD1" <-> "OD2"
    Residue "x ASP   73": "OD1" <-> "OD2"
    Residue "x ASP   90": "OD1" <-> "OD2"
    Residue "x GLU   95": "OE1" <-> "OE2"
    Residue "x PHE  113": "CD1" <-> "CD2" "CE1" <-> "CE2"
    Residue "x GLU  138": "OE1" <-> "OE2"
  Time to flip residues: 0.20s

  Monomer Library directory:
    "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5288/modules/chem_data/mon_lib"
  Total number of atoms: 70560
  Number of models: 1
  Model: ""
    Number of chains: 60
    Chain: "A"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "B"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "C"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "D"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "E"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "F"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "G"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "H"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "I"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "J"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "K"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "L"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "M"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "N"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "O"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "P"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "Q"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "R"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "S"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "T"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "U"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "V"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "W"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "X"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "Y"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "Z"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "0"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "1"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "2"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "3"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "4"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "5"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "6"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "7"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "8"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "9"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "a"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "b"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "c"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "d"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "e"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "f"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "g"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "h"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "i"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "j"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "k"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "l"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "m"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "n"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "o"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "p"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "q"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "r"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "s"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "t"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "u"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "v"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "w"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
    Chain: "x"
      Number of atoms: 1176
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 154, 1176
          Classifications: {'peptide': 154}
          Link IDs: {'PTRANS': 4, 'TRANS': 149}
  Time building chain proxies: 27.72, per 1000 atoms: 0.39
  Number of scatterers: 70560
  At special positions: 0
  Unit cell: (174.9, 172.78, 168.54, 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     180     16.00
     O   13140      8.00
     N   12540      7.00
     C   44700      6.00
    sf(0) = scattering factor at diffraction angle 0.

  Number of disulfides: simple=0, symmetry=0

  Automatic linking
    Parameters for automatic linking
      Linking & cutoffs
        Metal                : Auto  - 3.50
        Amino acid           : False - 1.90
        Carbohydrate         : True  - 1.99
        Ligands              : True  - 1.99
        Small molecules      : False - 1.98
        Amino acid - RNA/DNA : False
      
  Number of custom bonds: simple=0, symmetry=0
  Time building additional restraints: 20.30
  Conformation dependent library (CDL) restraints added in 10.3 seconds
  

  18240 Ramachandran restraints generated.
    9120 Oldfield, 0 Emsley, 9120 emsley8k and 0 Phi/Psi/2.
  Adding C-beta torsion restraints...
  Number of C-beta restraints generated:  16680

  Finding SS restraints...
    Secondary structure from input PDB file:
      420 helices and 60 sheets defined
      56.5% alpha, 17.5% beta
      0 base pairs and 0 stacking pairs defined.
    Time for finding SS restraints: 6.06
  Creating SS restraints...
    Processing helix  chain 'A' and resid 23 through 41
      removed outlier: 3.975A  pdb=" N   ARG A  29 " --> pdb=" O   ALA A  25 " (cutoff:3.500A)
    Processing helix  chain 'A' and resid 44 through 46
      No H-bonds generated for 'chain 'A' and resid 44 through 46'
    Processing helix  chain 'A' and resid 55 through 57
      No H-bonds generated for 'chain 'A' and resid 55 through 57'
    Processing helix  chain 'A' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG A  68 " --> pdb=" O   GLY A  64 " (cutoff:3.500A)
    Processing helix  chain 'A' and resid 87 through 108
      removed outlier: 3.535A  pdb=" N   TYR A  91 " --> pdb=" O   PRO A  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU A  95 " --> pdb=" O   TYR A  91 " (cutoff:3.500A)
    Processing helix  chain 'A' and resid 120 through 127
    Processing helix  chain 'A' and resid 134 through 154
      removed outlier: 3.697A  pdb=" N   SER A 152 " --> pdb=" O   ASN A 148 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG B  29 " --> pdb=" O   ALA B  25 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 44 through 46
      No H-bonds generated for 'chain 'B' and resid 44 through 46'
    Processing helix  chain 'B' and resid 55 through 57
      No H-bonds generated for 'chain 'B' and resid 55 through 57'
    Processing helix  chain 'B' and resid 58 through 68
      removed outlier: 3.567A  pdb=" N   ARG B  68 " --> pdb=" O   GLY B  64 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 87 through 108
      removed outlier: 3.535A  pdb=" N   TYR B  91 " --> pdb=" O   PRO B  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU B  95 " --> pdb=" O   TYR B  91 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 120 through 127
    Processing helix  chain 'B' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER B 152 " --> pdb=" O   ASN B 148 " (cutoff:3.500A)
    Processing helix  chain 'C' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG C  29 " --> pdb=" O   ALA C  25 " (cutoff:3.500A)
    Processing helix  chain 'C' and resid 44 through 46
      No H-bonds generated for 'chain 'C' and resid 44 through 46'
    Processing helix  chain 'C' and resid 55 through 57
      No H-bonds generated for 'chain 'C' and resid 55 through 57'
    Processing helix  chain 'C' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG C  68 " --> pdb=" O   GLY C  64 " (cutoff:3.500A)
    Processing helix  chain 'C' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR C  91 " --> pdb=" O   PRO C  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU C  95 " --> pdb=" O   TYR C  91 " (cutoff:3.500A)
    Processing helix  chain 'C' and resid 120 through 127
    Processing helix  chain 'C' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER C 152 " --> pdb=" O   ASN C 148 " (cutoff:3.500A)
    Processing helix  chain 'D' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG D  29 " --> pdb=" O   ALA D  25 " (cutoff:3.500A)
    Processing helix  chain 'D' and resid 44 through 46
      No H-bonds generated for 'chain 'D' and resid 44 through 46'
    Processing helix  chain 'D' and resid 55 through 57
      No H-bonds generated for 'chain 'D' and resid 55 through 57'
    Processing helix  chain 'D' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG D  68 " --> pdb=" O   GLY D  64 " (cutoff:3.500A)
    Processing helix  chain 'D' and resid 87 through 108
      removed outlier: 3.537A  pdb=" N   TYR D  91 " --> pdb=" O   PRO D  87 " (cutoff:3.500A)
      removed outlier: 3.729A  pdb=" N   GLU D  95 " --> pdb=" O   TYR D  91 " (cutoff:3.500A)
    Processing helix  chain 'D' and resid 120 through 127
    Processing helix  chain 'D' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER D 152 " --> pdb=" O   ASN D 148 " (cutoff:3.500A)
    Processing helix  chain 'E' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG E  29 " --> pdb=" O   ALA E  25 " (cutoff:3.500A)
    Processing helix  chain 'E' and resid 44 through 46
      No H-bonds generated for 'chain 'E' and resid 44 through 46'
    Processing helix  chain 'E' and resid 55 through 57
      No H-bonds generated for 'chain 'E' and resid 55 through 57'
    Processing helix  chain 'E' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG E  68 " --> pdb=" O   GLY E  64 " (cutoff:3.500A)
    Processing helix  chain 'E' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR E  91 " --> pdb=" O   PRO E  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU E  95 " --> pdb=" O   TYR E  91 " (cutoff:3.500A)
    Processing helix  chain 'E' and resid 120 through 127
    Processing helix  chain 'E' and resid 134 through 154
      removed outlier: 3.697A  pdb=" N   SER E 152 " --> pdb=" O   ASN E 148 " (cutoff:3.500A)
    Processing helix  chain 'F' and resid 23 through 41
      removed outlier: 3.975A  pdb=" N   ARG F  29 " --> pdb=" O   ALA F  25 " (cutoff:3.500A)
    Processing helix  chain 'F' and resid 44 through 46
      No H-bonds generated for 'chain 'F' and resid 44 through 46'
    Processing helix  chain 'F' and resid 55 through 57
      No H-bonds generated for 'chain 'F' and resid 55 through 57'
    Processing helix  chain 'F' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG F  68 " --> pdb=" O   GLY F  64 " (cutoff:3.500A)
    Processing helix  chain 'F' and resid 87 through 108
      removed outlier: 3.535A  pdb=" N   TYR F  91 " --> pdb=" O   PRO F  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU F  95 " --> pdb=" O   TYR F  91 " (cutoff:3.500A)
    Processing helix  chain 'F' and resid 120 through 127
    Processing helix  chain 'F' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER F 152 " --> pdb=" O   ASN F 148 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 23 through 41
      removed outlier: 3.975A  pdb=" N   ARG G  29 " --> pdb=" O   ALA G  25 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 44 through 46
      No H-bonds generated for 'chain 'G' and resid 44 through 46'
    Processing helix  chain 'G' and resid 55 through 57
      No H-bonds generated for 'chain 'G' and resid 55 through 57'
    Processing helix  chain 'G' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG G  68 " --> pdb=" O   GLY G  64 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR G  91 " --> pdb=" O   PRO G  87 " (cutoff:3.500A)
      removed outlier: 3.729A  pdb=" N   GLU G  95 " --> pdb=" O   TYR G  91 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 120 through 127
    Processing helix  chain 'G' and resid 134 through 154
      removed outlier: 3.697A  pdb=" N   SER G 152 " --> pdb=" O   ASN G 148 " (cutoff:3.500A)
    Processing helix  chain 'H' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG H  29 " --> pdb=" O   ALA H  25 " (cutoff:3.500A)
    Processing helix  chain 'H' and resid 44 through 46
      No H-bonds generated for 'chain 'H' and resid 44 through 46'
    Processing helix  chain 'H' and resid 55 through 57
      No H-bonds generated for 'chain 'H' and resid 55 through 57'
    Processing helix  chain 'H' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG H  68 " --> pdb=" O   GLY H  64 " (cutoff:3.500A)
    Processing helix  chain 'H' and resid 87 through 108
      removed outlier: 3.535A  pdb=" N   TYR H  91 " --> pdb=" O   PRO H  87 " (cutoff:3.500A)
      removed outlier: 3.729A  pdb=" N   GLU H  95 " --> pdb=" O   TYR H  91 " (cutoff:3.500A)
    Processing helix  chain 'H' and resid 120 through 127
    Processing helix  chain 'H' and resid 134 through 154
      removed outlier: 3.697A  pdb=" N   SER H 152 " --> pdb=" O   ASN H 148 " (cutoff:3.500A)
    Processing helix  chain 'I' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG I  29 " --> pdb=" O   ALA I  25 " (cutoff:3.500A)
    Processing helix  chain 'I' and resid 44 through 46
      No H-bonds generated for 'chain 'I' and resid 44 through 46'
    Processing helix  chain 'I' and resid 55 through 57
      No H-bonds generated for 'chain 'I' and resid 55 through 57'
    Processing helix  chain 'I' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG I  68 " --> pdb=" O   GLY I  64 " (cutoff:3.500A)
    Processing helix  chain 'I' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR I  91 " --> pdb=" O   PRO I  87 " (cutoff:3.500A)
      removed outlier: 3.731A  pdb=" N   GLU I  95 " --> pdb=" O   TYR I  91 " (cutoff:3.500A)
    Processing helix  chain 'I' and resid 120 through 127
    Processing helix  chain 'I' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER I 152 " --> pdb=" O   ASN I 148 " (cutoff:3.500A)
    Processing helix  chain 'J' and resid 23 through 41
      removed outlier: 3.975A  pdb=" N   ARG J  29 " --> pdb=" O   ALA J  25 " (cutoff:3.500A)
    Processing helix  chain 'J' and resid 44 through 46
      No H-bonds generated for 'chain 'J' and resid 44 through 46'
    Processing helix  chain 'J' and resid 55 through 57
      No H-bonds generated for 'chain 'J' and resid 55 through 57'
    Processing helix  chain 'J' and resid 58 through 68
      removed outlier: 3.565A  pdb=" N   ARG J  68 " --> pdb=" O   GLY J  64 " (cutoff:3.500A)
    Processing helix  chain 'J' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR J  91 " --> pdb=" O   PRO J  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU J  95 " --> pdb=" O   TYR J  91 " (cutoff:3.500A)
    Processing helix  chain 'J' and resid 120 through 127
    Processing helix  chain 'J' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER J 152 " --> pdb=" O   ASN J 148 " (cutoff:3.500A)
    Processing helix  chain 'K' and resid 23 through 41
      removed outlier: 3.975A  pdb=" N   ARG K  29 " --> pdb=" O   ALA K  25 " (cutoff:3.500A)
    Processing helix  chain 'K' and resid 44 through 46
      No H-bonds generated for 'chain 'K' and resid 44 through 46'
    Processing helix  chain 'K' and resid 55 through 57
      No H-bonds generated for 'chain 'K' and resid 55 through 57'
    Processing helix  chain 'K' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG K  68 " --> pdb=" O   GLY K  64 " (cutoff:3.500A)
    Processing helix  chain 'K' and resid 87 through 108
      removed outlier: 3.535A  pdb=" N   TYR K  91 " --> pdb=" O   PRO K  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU K  95 " --> pdb=" O   TYR K  91 " (cutoff:3.500A)
    Processing helix  chain 'K' and resid 120 through 127
    Processing helix  chain 'K' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER K 152 " --> pdb=" O   ASN K 148 " (cutoff:3.500A)
    Processing helix  chain 'L' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG L  29 " --> pdb=" O   ALA L  25 " (cutoff:3.500A)
    Processing helix  chain 'L' and resid 44 through 46
      No H-bonds generated for 'chain 'L' and resid 44 through 46'
    Processing helix  chain 'L' and resid 55 through 57
      No H-bonds generated for 'chain 'L' and resid 55 through 57'
    Processing helix  chain 'L' and resid 58 through 68
      removed outlier: 3.565A  pdb=" N   ARG L  68 " --> pdb=" O   GLY L  64 " (cutoff:3.500A)
    Processing helix  chain 'L' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR L  91 " --> pdb=" O   PRO L  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU L  95 " --> pdb=" O   TYR L  91 " (cutoff:3.500A)
    Processing helix  chain 'L' and resid 120 through 127
    Processing helix  chain 'L' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER L 152 " --> pdb=" O   ASN L 148 " (cutoff:3.500A)
    Processing helix  chain 'M' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG M  29 " --> pdb=" O   ALA M  25 " (cutoff:3.500A)
    Processing helix  chain 'M' and resid 44 through 46
      No H-bonds generated for 'chain 'M' and resid 44 through 46'
    Processing helix  chain 'M' and resid 55 through 57
      No H-bonds generated for 'chain 'M' and resid 55 through 57'
    Processing helix  chain 'M' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG M  68 " --> pdb=" O   GLY M  64 " (cutoff:3.500A)
    Processing helix  chain 'M' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR M  91 " --> pdb=" O   PRO M  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU M  95 " --> pdb=" O   TYR M  91 " (cutoff:3.500A)
    Processing helix  chain 'M' and resid 120 through 127
    Processing helix  chain 'M' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER M 152 " --> pdb=" O   ASN M 148 " (cutoff:3.500A)
    Processing helix  chain 'N' and resid 23 through 41
      removed outlier: 3.975A  pdb=" N   ARG N  29 " --> pdb=" O   ALA N  25 " (cutoff:3.500A)
    Processing helix  chain 'N' and resid 44 through 46
      No H-bonds generated for 'chain 'N' and resid 44 through 46'
    Processing helix  chain 'N' and resid 55 through 57
      No H-bonds generated for 'chain 'N' and resid 55 through 57'
    Processing helix  chain 'N' and resid 58 through 68
      removed outlier: 3.567A  pdb=" N   ARG N  68 " --> pdb=" O   GLY N  64 " (cutoff:3.500A)
    Processing helix  chain 'N' and resid 87 through 108
      removed outlier: 3.535A  pdb=" N   TYR N  91 " --> pdb=" O   PRO N  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU N  95 " --> pdb=" O   TYR N  91 " (cutoff:3.500A)
    Processing helix  chain 'N' and resid 120 through 127
    Processing helix  chain 'N' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER N 152 " --> pdb=" O   ASN N 148 " (cutoff:3.500A)
    Processing helix  chain 'O' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG O  29 " --> pdb=" O   ALA O  25 " (cutoff:3.500A)
    Processing helix  chain 'O' and resid 44 through 46
      No H-bonds generated for 'chain 'O' and resid 44 through 46'
    Processing helix  chain 'O' and resid 55 through 57
      No H-bonds generated for 'chain 'O' and resid 55 through 57'
    Processing helix  chain 'O' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG O  68 " --> pdb=" O   GLY O  64 " (cutoff:3.500A)
    Processing helix  chain 'O' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR O  91 " --> pdb=" O   PRO O  87 " (cutoff:3.500A)
      removed outlier: 3.729A  pdb=" N   GLU O  95 " --> pdb=" O   TYR O  91 " (cutoff:3.500A)
    Processing helix  chain 'O' and resid 120 through 127
    Processing helix  chain 'O' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER O 152 " --> pdb=" O   ASN O 148 " (cutoff:3.500A)
    Processing helix  chain 'P' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG P  29 " --> pdb=" O   ALA P  25 " (cutoff:3.500A)
    Processing helix  chain 'P' and resid 44 through 46
      No H-bonds generated for 'chain 'P' and resid 44 through 46'
    Processing helix  chain 'P' and resid 55 through 57
      No H-bonds generated for 'chain 'P' and resid 55 through 57'
    Processing helix  chain 'P' and resid 58 through 68
      removed outlier: 3.565A  pdb=" N   ARG P  68 " --> pdb=" O   GLY P  64 " (cutoff:3.500A)
    Processing helix  chain 'P' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR P  91 " --> pdb=" O   PRO P  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU P  95 " --> pdb=" O   TYR P  91 " (cutoff:3.500A)
    Processing helix  chain 'P' and resid 120 through 127
    Processing helix  chain 'P' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER P 152 " --> pdb=" O   ASN P 148 " (cutoff:3.500A)
    Processing helix  chain 'Q' and resid 23 through 41
      removed outlier: 3.975A  pdb=" N   ARG Q  29 " --> pdb=" O   ALA Q  25 " (cutoff:3.500A)
    Processing helix  chain 'Q' and resid 44 through 46
      No H-bonds generated for 'chain 'Q' and resid 44 through 46'
    Processing helix  chain 'Q' and resid 55 through 57
      No H-bonds generated for 'chain 'Q' and resid 55 through 57'
    Processing helix  chain 'Q' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG Q  68 " --> pdb=" O   GLY Q  64 " (cutoff:3.500A)
    Processing helix  chain 'Q' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR Q  91 " --> pdb=" O   PRO Q  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU Q  95 " --> pdb=" O   TYR Q  91 " (cutoff:3.500A)
    Processing helix  chain 'Q' and resid 120 through 127
    Processing helix  chain 'Q' and resid 134 through 154
      removed outlier: 3.697A  pdb=" N   SER Q 152 " --> pdb=" O   ASN Q 148 " (cutoff:3.500A)
    Processing helix  chain 'R' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG R  29 " --> pdb=" O   ALA R  25 " (cutoff:3.500A)
    Processing helix  chain 'R' and resid 44 through 46
      No H-bonds generated for 'chain 'R' and resid 44 through 46'
    Processing helix  chain 'R' and resid 55 through 57
      No H-bonds generated for 'chain 'R' and resid 55 through 57'
    Processing helix  chain 'R' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG R  68 " --> pdb=" O   GLY R  64 " (cutoff:3.500A)
    Processing helix  chain 'R' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR R  91 " --> pdb=" O   PRO R  87 " (cutoff:3.500A)
      removed outlier: 3.729A  pdb=" N   GLU R  95 " --> pdb=" O   TYR R  91 " (cutoff:3.500A)
    Processing helix  chain 'R' and resid 120 through 127
    Processing helix  chain 'R' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER R 152 " --> pdb=" O   ASN R 148 " (cutoff:3.500A)
    Processing helix  chain 'S' and resid 23 through 41
      removed outlier: 3.975A  pdb=" N   ARG S  29 " --> pdb=" O   ALA S  25 " (cutoff:3.500A)
    Processing helix  chain 'S' and resid 44 through 46
      No H-bonds generated for 'chain 'S' and resid 44 through 46'
    Processing helix  chain 'S' and resid 55 through 57
      No H-bonds generated for 'chain 'S' and resid 55 through 57'
    Processing helix  chain 'S' and resid 58 through 68
      removed outlier: 3.565A  pdb=" N   ARG S  68 " --> pdb=" O   GLY S  64 " (cutoff:3.500A)
    Processing helix  chain 'S' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR S  91 " --> pdb=" O   PRO S  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU S  95 " --> pdb=" O   TYR S  91 " (cutoff:3.500A)
    Processing helix  chain 'S' and resid 120 through 127
    Processing helix  chain 'S' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER S 152 " --> pdb=" O   ASN S 148 " (cutoff:3.500A)
    Processing helix  chain 'T' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG T  29 " --> pdb=" O   ALA T  25 " (cutoff:3.500A)
    Processing helix  chain 'T' and resid 44 through 46
      No H-bonds generated for 'chain 'T' and resid 44 through 46'
    Processing helix  chain 'T' and resid 55 through 57
      No H-bonds generated for 'chain 'T' and resid 55 through 57'
    Processing helix  chain 'T' and resid 58 through 68
      removed outlier: 3.565A  pdb=" N   ARG T  68 " --> pdb=" O   GLY T  64 " (cutoff:3.500A)
    Processing helix  chain 'T' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR T  91 " --> pdb=" O   PRO T  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU T  95 " --> pdb=" O   TYR T  91 " (cutoff:3.500A)
    Processing helix  chain 'T' and resid 120 through 127
    Processing helix  chain 'T' and resid 134 through 154
      removed outlier: 3.697A  pdb=" N   SER T 152 " --> pdb=" O   ASN T 148 " (cutoff:3.500A)
    Processing helix  chain 'U' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG U  29 " --> pdb=" O   ALA U  25 " (cutoff:3.500A)
    Processing helix  chain 'U' and resid 44 through 46
      No H-bonds generated for 'chain 'U' and resid 44 through 46'
    Processing helix  chain 'U' and resid 55 through 57
      No H-bonds generated for 'chain 'U' and resid 55 through 57'
    Processing helix  chain 'U' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG U  68 " --> pdb=" O   GLY U  64 " (cutoff:3.500A)
    Processing helix  chain 'U' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR U  91 " --> pdb=" O   PRO U  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU U  95 " --> pdb=" O   TYR U  91 " (cutoff:3.500A)
    Processing helix  chain 'U' and resid 120 through 127
    Processing helix  chain 'U' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER U 152 " --> pdb=" O   ASN U 148 " (cutoff:3.500A)
    Processing helix  chain 'V' and resid 23 through 41
      removed outlier: 3.973A  pdb=" N   ARG V  29 " --> pdb=" O   ALA V  25 " (cutoff:3.500A)
    Processing helix  chain 'V' and resid 44 through 46
      No H-bonds generated for 'chain 'V' and resid 44 through 46'
    Processing helix  chain 'V' and resid 55 through 57
      No H-bonds generated for 'chain 'V' and resid 55 through 57'
    Processing helix  chain 'V' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG V  68 " --> pdb=" O   GLY V  64 " (cutoff:3.500A)
    Processing helix  chain 'V' and resid 87 through 108
      removed outlier: 3.535A  pdb=" N   TYR V  91 " --> pdb=" O   PRO V  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU V  95 " --> pdb=" O   TYR V  91 " (cutoff:3.500A)
    Processing helix  chain 'V' and resid 120 through 127
    Processing helix  chain 'V' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER V 152 " --> pdb=" O   ASN V 148 " (cutoff:3.500A)
    Processing helix  chain 'W' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG W  29 " --> pdb=" O   ALA W  25 " (cutoff:3.500A)
    Processing helix  chain 'W' and resid 44 through 46
      No H-bonds generated for 'chain 'W' and resid 44 through 46'
    Processing helix  chain 'W' and resid 55 through 57
      No H-bonds generated for 'chain 'W' and resid 55 through 57'
    Processing helix  chain 'W' and resid 58 through 68
      removed outlier: 3.565A  pdb=" N   ARG W  68 " --> pdb=" O   GLY W  64 " (cutoff:3.500A)
    Processing helix  chain 'W' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR W  91 " --> pdb=" O   PRO W  87 " (cutoff:3.500A)
      removed outlier: 3.731A  pdb=" N   GLU W  95 " --> pdb=" O   TYR W  91 " (cutoff:3.500A)
    Processing helix  chain 'W' and resid 120 through 127
    Processing helix  chain 'W' and resid 134 through 154
      removed outlier: 3.697A  pdb=" N   SER W 152 " --> pdb=" O   ASN W 148 " (cutoff:3.500A)
    Processing helix  chain 'X' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG X  29 " --> pdb=" O   ALA X  25 " (cutoff:3.500A)
    Processing helix  chain 'X' and resid 44 through 46
      No H-bonds generated for 'chain 'X' and resid 44 through 46'
    Processing helix  chain 'X' and resid 55 through 57
      No H-bonds generated for 'chain 'X' and resid 55 through 57'
    Processing helix  chain 'X' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG X  68 " --> pdb=" O   GLY X  64 " (cutoff:3.500A)
    Processing helix  chain 'X' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR X  91 " --> pdb=" O   PRO X  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU X  95 " --> pdb=" O   TYR X  91 " (cutoff:3.500A)
    Processing helix  chain 'X' and resid 120 through 127
    Processing helix  chain 'X' and resid 134 through 154
      removed outlier: 3.697A  pdb=" N   SER X 152 " --> pdb=" O   ASN X 148 " (cutoff:3.500A)
    Processing helix  chain 'Y' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG Y  29 " --> pdb=" O   ALA Y  25 " (cutoff:3.500A)
    Processing helix  chain 'Y' and resid 44 through 46
      No H-bonds generated for 'chain 'Y' and resid 44 through 46'
    Processing helix  chain 'Y' and resid 55 through 57
      No H-bonds generated for 'chain 'Y' and resid 55 through 57'
    Processing helix  chain 'Y' and resid 58 through 68
      removed outlier: 3.565A  pdb=" N   ARG Y  68 " --> pdb=" O   GLY Y  64 " (cutoff:3.500A)
    Processing helix  chain 'Y' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR Y  91 " --> pdb=" O   PRO Y  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU Y  95 " --> pdb=" O   TYR Y  91 " (cutoff:3.500A)
    Processing helix  chain 'Y' and resid 120 through 127
    Processing helix  chain 'Y' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER Y 152 " --> pdb=" O   ASN Y 148 " (cutoff:3.500A)
    Processing helix  chain 'Z' and resid 23 through 41
      removed outlier: 3.973A  pdb=" N   ARG Z  29 " --> pdb=" O   ALA Z  25 " (cutoff:3.500A)
    Processing helix  chain 'Z' and resid 44 through 46
      No H-bonds generated for 'chain 'Z' and resid 44 through 46'
    Processing helix  chain 'Z' and resid 55 through 57
      No H-bonds generated for 'chain 'Z' and resid 55 through 57'
    Processing helix  chain 'Z' and resid 58 through 68
      removed outlier: 3.565A  pdb=" N   ARG Z  68 " --> pdb=" O   GLY Z  64 " (cutoff:3.500A)
    Processing helix  chain 'Z' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR Z  91 " --> pdb=" O   PRO Z  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU Z  95 " --> pdb=" O   TYR Z  91 " (cutoff:3.500A)
    Processing helix  chain 'Z' and resid 120 through 127
    Processing helix  chain 'Z' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER Z 152 " --> pdb=" O   ASN Z 148 " (cutoff:3.500A)
    Processing helix  chain '0' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG 0  29 " --> pdb=" O   ALA 0  25 " (cutoff:3.500A)
    Processing helix  chain '0' and resid 44 through 46
      No H-bonds generated for 'chain '0' and resid 44 through 46'
    Processing helix  chain '0' and resid 55 through 57
      No H-bonds generated for 'chain '0' and resid 55 through 57'
    Processing helix  chain '0' and resid 58 through 68
      removed outlier: 3.565A  pdb=" N   ARG 0  68 " --> pdb=" O   GLY 0  64 " (cutoff:3.500A)
    Processing helix  chain '0' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR 0  91 " --> pdb=" O   PRO 0  87 " (cutoff:3.500A)
      removed outlier: 3.729A  pdb=" N   GLU 0  95 " --> pdb=" O   TYR 0  91 " (cutoff:3.500A)
    Processing helix  chain '0' and resid 120 through 127
    Processing helix  chain '0' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER 0 152 " --> pdb=" O   ASN 0 148 " (cutoff:3.500A)
    Processing helix  chain '1' and resid 23 through 41
      removed outlier: 3.973A  pdb=" N   ARG 1  29 " --> pdb=" O   ALA 1  25 " (cutoff:3.500A)
    Processing helix  chain '1' and resid 44 through 46
      No H-bonds generated for 'chain '1' and resid 44 through 46'
    Processing helix  chain '1' and resid 55 through 57
      No H-bonds generated for 'chain '1' and resid 55 through 57'
    Processing helix  chain '1' and resid 58 through 68
      removed outlier: 3.567A  pdb=" N   ARG 1  68 " --> pdb=" O   GLY 1  64 " (cutoff:3.500A)
    Processing helix  chain '1' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR 1  91 " --> pdb=" O   PRO 1  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU 1  95 " --> pdb=" O   TYR 1  91 " (cutoff:3.500A)
    Processing helix  chain '1' and resid 120 through 127
    Processing helix  chain '1' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER 1 152 " --> pdb=" O   ASN 1 148 " (cutoff:3.500A)
    Processing helix  chain '2' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG 2  29 " --> pdb=" O   ALA 2  25 " (cutoff:3.500A)
    Processing helix  chain '2' and resid 44 through 46
      No H-bonds generated for 'chain '2' and resid 44 through 46'
    Processing helix  chain '2' and resid 55 through 57
      No H-bonds generated for 'chain '2' and resid 55 through 57'
    Processing helix  chain '2' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG 2  68 " --> pdb=" O   GLY 2  64 " (cutoff:3.500A)
    Processing helix  chain '2' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR 2  91 " --> pdb=" O   PRO 2  87 " (cutoff:3.500A)
      removed outlier: 3.729A  pdb=" N   GLU 2  95 " --> pdb=" O   TYR 2  91 " (cutoff:3.500A)
    Processing helix  chain '2' and resid 120 through 127
    Processing helix  chain '2' and resid 134 through 154
      removed outlier: 3.697A  pdb=" N   SER 2 152 " --> pdb=" O   ASN 2 148 " (cutoff:3.500A)
    Processing helix  chain '3' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG 3  29 " --> pdb=" O   ALA 3  25 " (cutoff:3.500A)
    Processing helix  chain '3' and resid 44 through 46
      No H-bonds generated for 'chain '3' and resid 44 through 46'
    Processing helix  chain '3' and resid 55 through 57
      No H-bonds generated for 'chain '3' and resid 55 through 57'
    Processing helix  chain '3' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG 3  68 " --> pdb=" O   GLY 3  64 " (cutoff:3.500A)
    Processing helix  chain '3' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR 3  91 " --> pdb=" O   PRO 3  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU 3  95 " --> pdb=" O   TYR 3  91 " (cutoff:3.500A)
    Processing helix  chain '3' and resid 120 through 127
    Processing helix  chain '3' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER 3 152 " --> pdb=" O   ASN 3 148 " (cutoff:3.500A)
    Processing helix  chain '4' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG 4  29 " --> pdb=" O   ALA 4  25 " (cutoff:3.500A)
    Processing helix  chain '4' and resid 44 through 46
      No H-bonds generated for 'chain '4' and resid 44 through 46'
    Processing helix  chain '4' and resid 55 through 57
      No H-bonds generated for 'chain '4' and resid 55 through 57'
    Processing helix  chain '4' and resid 58 through 68
      removed outlier: 3.565A  pdb=" N   ARG 4  68 " --> pdb=" O   GLY 4  64 " (cutoff:3.500A)
    Processing helix  chain '4' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR 4  91 " --> pdb=" O   PRO 4  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU 4  95 " --> pdb=" O   TYR 4  91 " (cutoff:3.500A)
    Processing helix  chain '4' and resid 120 through 127
    Processing helix  chain '4' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER 4 152 " --> pdb=" O   ASN 4 148 " (cutoff:3.500A)
    Processing helix  chain '5' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG 5  29 " --> pdb=" O   ALA 5  25 " (cutoff:3.500A)
    Processing helix  chain '5' and resid 44 through 46
      No H-bonds generated for 'chain '5' and resid 44 through 46'
    Processing helix  chain '5' and resid 55 through 57
      No H-bonds generated for 'chain '5' and resid 55 through 57'
    Processing helix  chain '5' and resid 58 through 68
      removed outlier: 3.565A  pdb=" N   ARG 5  68 " --> pdb=" O   GLY 5  64 " (cutoff:3.500A)
    Processing helix  chain '5' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR 5  91 " --> pdb=" O   PRO 5  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU 5  95 " --> pdb=" O   TYR 5  91 " (cutoff:3.500A)
    Processing helix  chain '5' and resid 120 through 127
    Processing helix  chain '5' and resid 134 through 154
      removed outlier: 3.697A  pdb=" N   SER 5 152 " --> pdb=" O   ASN 5 148 " (cutoff:3.500A)
    Processing helix  chain '6' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG 6  29 " --> pdb=" O   ALA 6  25 " (cutoff:3.500A)
    Processing helix  chain '6' and resid 44 through 46
      No H-bonds generated for 'chain '6' and resid 44 through 46'
    Processing helix  chain '6' and resid 55 through 57
      No H-bonds generated for 'chain '6' and resid 55 through 57'
    Processing helix  chain '6' and resid 58 through 68
      removed outlier: 3.567A  pdb=" N   ARG 6  68 " --> pdb=" O   GLY 6  64 " (cutoff:3.500A)
    Processing helix  chain '6' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR 6  91 " --> pdb=" O   PRO 6  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU 6  95 " --> pdb=" O   TYR 6  91 " (cutoff:3.500A)
    Processing helix  chain '6' and resid 120 through 127
    Processing helix  chain '6' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER 6 152 " --> pdb=" O   ASN 6 148 " (cutoff:3.500A)
    Processing helix  chain '7' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG 7  29 " --> pdb=" O   ALA 7  25 " (cutoff:3.500A)
    Processing helix  chain '7' and resid 44 through 46
      No H-bonds generated for 'chain '7' and resid 44 through 46'
    Processing helix  chain '7' and resid 55 through 57
      No H-bonds generated for 'chain '7' and resid 55 through 57'
    Processing helix  chain '7' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG 7  68 " --> pdb=" O   GLY 7  64 " (cutoff:3.500A)
    Processing helix  chain '7' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR 7  91 " --> pdb=" O   PRO 7  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU 7  95 " --> pdb=" O   TYR 7  91 " (cutoff:3.500A)
    Processing helix  chain '7' and resid 120 through 127
    Processing helix  chain '7' and resid 134 through 154
      removed outlier: 3.697A  pdb=" N   SER 7 152 " --> pdb=" O   ASN 7 148 " (cutoff:3.500A)
    Processing helix  chain '8' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG 8  29 " --> pdb=" O   ALA 8  25 " (cutoff:3.500A)
    Processing helix  chain '8' and resid 44 through 46
      No H-bonds generated for 'chain '8' and resid 44 through 46'
    Processing helix  chain '8' and resid 55 through 57
      No H-bonds generated for 'chain '8' and resid 55 through 57'
    Processing helix  chain '8' and resid 58 through 68
      removed outlier: 3.565A  pdb=" N   ARG 8  68 " --> pdb=" O   GLY 8  64 " (cutoff:3.500A)
    Processing helix  chain '8' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR 8  91 " --> pdb=" O   PRO 8  87 " (cutoff:3.500A)
      removed outlier: 3.729A  pdb=" N   GLU 8  95 " --> pdb=" O   TYR 8  91 " (cutoff:3.500A)
    Processing helix  chain '8' and resid 120 through 127
    Processing helix  chain '8' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER 8 152 " --> pdb=" O   ASN 8 148 " (cutoff:3.500A)
    Processing helix  chain '9' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG 9  29 " --> pdb=" O   ALA 9  25 " (cutoff:3.500A)
    Processing helix  chain '9' and resid 44 through 46
      No H-bonds generated for 'chain '9' and resid 44 through 46'
    Processing helix  chain '9' and resid 55 through 57
      No H-bonds generated for 'chain '9' and resid 55 through 57'
    Processing helix  chain '9' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG 9  68 " --> pdb=" O   GLY 9  64 " (cutoff:3.500A)
    Processing helix  chain '9' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR 9  91 " --> pdb=" O   PRO 9  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU 9  95 " --> pdb=" O   TYR 9  91 " (cutoff:3.500A)
    Processing helix  chain '9' and resid 120 through 127
    Processing helix  chain '9' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER 9 152 " --> pdb=" O   ASN 9 148 " (cutoff:3.500A)
    Processing helix  chain 'a' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG a  29 " --> pdb=" O   ALA a  25 " (cutoff:3.500A)
    Processing helix  chain 'a' and resid 44 through 46
      No H-bonds generated for 'chain 'a' and resid 44 through 46'
    Processing helix  chain 'a' and resid 55 through 57
      No H-bonds generated for 'chain 'a' and resid 55 through 57'
    Processing helix  chain 'a' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG a  68 " --> pdb=" O   GLY a  64 " (cutoff:3.500A)
    Processing helix  chain 'a' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR a  91 " --> pdb=" O   PRO a  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU a  95 " --> pdb=" O   TYR a  91 " (cutoff:3.500A)
    Processing helix  chain 'a' and resid 120 through 127
    Processing helix  chain 'a' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER a 152 " --> pdb=" O   ASN a 148 " (cutoff:3.500A)
    Processing helix  chain 'b' and resid 23 through 41
      removed outlier: 3.975A  pdb=" N   ARG b  29 " --> pdb=" O   ALA b  25 " (cutoff:3.500A)
    Processing helix  chain 'b' and resid 44 through 46
      No H-bonds generated for 'chain 'b' and resid 44 through 46'
    Processing helix  chain 'b' and resid 55 through 57
      No H-bonds generated for 'chain 'b' and resid 55 through 57'
    Processing helix  chain 'b' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG b  68 " --> pdb=" O   GLY b  64 " (cutoff:3.500A)
    Processing helix  chain 'b' and resid 87 through 108
      removed outlier: 3.537A  pdb=" N   TYR b  91 " --> pdb=" O   PRO b  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU b  95 " --> pdb=" O   TYR b  91 " (cutoff:3.500A)
    Processing helix  chain 'b' and resid 120 through 127
    Processing helix  chain 'b' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER b 152 " --> pdb=" O   ASN b 148 " (cutoff:3.500A)
    Processing helix  chain 'c' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG c  29 " --> pdb=" O   ALA c  25 " (cutoff:3.500A)
    Processing helix  chain 'c' and resid 44 through 46
      No H-bonds generated for 'chain 'c' and resid 44 through 46'
    Processing helix  chain 'c' and resid 55 through 57
      No H-bonds generated for 'chain 'c' and resid 55 through 57'
    Processing helix  chain 'c' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG c  68 " --> pdb=" O   GLY c  64 " (cutoff:3.500A)
    Processing helix  chain 'c' and resid 87 through 108
      removed outlier: 3.535A  pdb=" N   TYR c  91 " --> pdb=" O   PRO c  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU c  95 " --> pdb=" O   TYR c  91 " (cutoff:3.500A)
    Processing helix  chain 'c' and resid 120 through 127
    Processing helix  chain 'c' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER c 152 " --> pdb=" O   ASN c 148 " (cutoff:3.500A)
    Processing helix  chain 'd' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG d  29 " --> pdb=" O   ALA d  25 " (cutoff:3.500A)
    Processing helix  chain 'd' and resid 44 through 46
      No H-bonds generated for 'chain 'd' and resid 44 through 46'
    Processing helix  chain 'd' and resid 55 through 57
      No H-bonds generated for 'chain 'd' and resid 55 through 57'
    Processing helix  chain 'd' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG d  68 " --> pdb=" O   GLY d  64 " (cutoff:3.500A)
    Processing helix  chain 'd' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR d  91 " --> pdb=" O   PRO d  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU d  95 " --> pdb=" O   TYR d  91 " (cutoff:3.500A)
    Processing helix  chain 'd' and resid 120 through 127
    Processing helix  chain 'd' and resid 134 through 154
      removed outlier: 3.695A  pdb=" N   SER d 152 " --> pdb=" O   ASN d 148 " (cutoff:3.500A)
    Processing helix  chain 'e' and resid 23 through 41
      removed outlier: 3.973A  pdb=" N   ARG e  29 " --> pdb=" O   ALA e  25 " (cutoff:3.500A)
    Processing helix  chain 'e' and resid 44 through 46
      No H-bonds generated for 'chain 'e' and resid 44 through 46'
    Processing helix  chain 'e' and resid 55 through 57
      No H-bonds generated for 'chain 'e' and resid 55 through 57'
    Processing helix  chain 'e' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG e  68 " --> pdb=" O   GLY e  64 " (cutoff:3.500A)
    Processing helix  chain 'e' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR e  91 " --> pdb=" O   PRO e  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU e  95 " --> pdb=" O   TYR e  91 " (cutoff:3.500A)
    Processing helix  chain 'e' and resid 120 through 127
    Processing helix  chain 'e' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER e 152 " --> pdb=" O   ASN e 148 " (cutoff:3.500A)
    Processing helix  chain 'f' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG f  29 " --> pdb=" O   ALA f  25 " (cutoff:3.500A)
    Processing helix  chain 'f' and resid 44 through 46
      No H-bonds generated for 'chain 'f' and resid 44 through 46'
    Processing helix  chain 'f' and resid 55 through 57
      No H-bonds generated for 'chain 'f' and resid 55 through 57'
    Processing helix  chain 'f' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG f  68 " --> pdb=" O   GLY f  64 " (cutoff:3.500A)
    Processing helix  chain 'f' and resid 87 through 108
      removed outlier: 3.535A  pdb=" N   TYR f  91 " --> pdb=" O   PRO f  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU f  95 " --> pdb=" O   TYR f  91 " (cutoff:3.500A)
    Processing helix  chain 'f' and resid 120 through 127
    Processing helix  chain 'f' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER f 152 " --> pdb=" O   ASN f 148 " (cutoff:3.500A)
    Processing helix  chain 'g' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG g  29 " --> pdb=" O   ALA g  25 " (cutoff:3.500A)
    Processing helix  chain 'g' and resid 44 through 46
      No H-bonds generated for 'chain 'g' and resid 44 through 46'
    Processing helix  chain 'g' and resid 55 through 57
      No H-bonds generated for 'chain 'g' and resid 55 through 57'
    Processing helix  chain 'g' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG g  68 " --> pdb=" O   GLY g  64 " (cutoff:3.500A)
    Processing helix  chain 'g' and resid 87 through 108
      removed outlier: 3.535A  pdb=" N   TYR g  91 " --> pdb=" O   PRO g  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU g  95 " --> pdb=" O   TYR g  91 " (cutoff:3.500A)
    Processing helix  chain 'g' and resid 120 through 127
    Processing helix  chain 'g' and resid 134 through 154
      removed outlier: 3.695A  pdb=" N   SER g 152 " --> pdb=" O   ASN g 148 " (cutoff:3.500A)
    Processing helix  chain 'h' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG h  29 " --> pdb=" O   ALA h  25 " (cutoff:3.500A)
    Processing helix  chain 'h' and resid 44 through 46
      No H-bonds generated for 'chain 'h' and resid 44 through 46'
    Processing helix  chain 'h' and resid 55 through 57
      No H-bonds generated for 'chain 'h' and resid 55 through 57'
    Processing helix  chain 'h' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG h  68 " --> pdb=" O   GLY h  64 " (cutoff:3.500A)
    Processing helix  chain 'h' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR h  91 " --> pdb=" O   PRO h  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU h  95 " --> pdb=" O   TYR h  91 " (cutoff:3.500A)
    Processing helix  chain 'h' and resid 120 through 127
    Processing helix  chain 'h' and resid 134 through 154
      removed outlier: 3.697A  pdb=" N   SER h 152 " --> pdb=" O   ASN h 148 " (cutoff:3.500A)
    Processing helix  chain 'i' and resid 23 through 41
      removed outlier: 3.975A  pdb=" N   ARG i  29 " --> pdb=" O   ALA i  25 " (cutoff:3.500A)
    Processing helix  chain 'i' and resid 44 through 46
      No H-bonds generated for 'chain 'i' and resid 44 through 46'
    Processing helix  chain 'i' and resid 55 through 57
      No H-bonds generated for 'chain 'i' and resid 55 through 57'
    Processing helix  chain 'i' and resid 58 through 68
      removed outlier: 3.565A  pdb=" N   ARG i  68 " --> pdb=" O   GLY i  64 " (cutoff:3.500A)
    Processing helix  chain 'i' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR i  91 " --> pdb=" O   PRO i  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU i  95 " --> pdb=" O   TYR i  91 " (cutoff:3.500A)
    Processing helix  chain 'i' and resid 120 through 127
    Processing helix  chain 'i' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER i 152 " --> pdb=" O   ASN i 148 " (cutoff:3.500A)
    Processing helix  chain 'j' and resid 23 through 41
      removed outlier: 3.975A  pdb=" N   ARG j  29 " --> pdb=" O   ALA j  25 " (cutoff:3.500A)
    Processing helix  chain 'j' and resid 44 through 46
      No H-bonds generated for 'chain 'j' and resid 44 through 46'
    Processing helix  chain 'j' and resid 55 through 57
      No H-bonds generated for 'chain 'j' and resid 55 through 57'
    Processing helix  chain 'j' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG j  68 " --> pdb=" O   GLY j  64 " (cutoff:3.500A)
    Processing helix  chain 'j' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR j  91 " --> pdb=" O   PRO j  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU j  95 " --> pdb=" O   TYR j  91 " (cutoff:3.500A)
    Processing helix  chain 'j' and resid 120 through 127
    Processing helix  chain 'j' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER j 152 " --> pdb=" O   ASN j 148 " (cutoff:3.500A)
    Processing helix  chain 'k' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG k  29 " --> pdb=" O   ALA k  25 " (cutoff:3.500A)
    Processing helix  chain 'k' and resid 44 through 46
      No H-bonds generated for 'chain 'k' and resid 44 through 46'
    Processing helix  chain 'k' and resid 55 through 57
      No H-bonds generated for 'chain 'k' and resid 55 through 57'
    Processing helix  chain 'k' and resid 58 through 68
      removed outlier: 3.565A  pdb=" N   ARG k  68 " --> pdb=" O   GLY k  64 " (cutoff:3.500A)
    Processing helix  chain 'k' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR k  91 " --> pdb=" O   PRO k  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU k  95 " --> pdb=" O   TYR k  91 " (cutoff:3.500A)
    Processing helix  chain 'k' and resid 120 through 127
    Processing helix  chain 'k' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER k 152 " --> pdb=" O   ASN k 148 " (cutoff:3.500A)
    Processing helix  chain 'l' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG l  29 " --> pdb=" O   ALA l  25 " (cutoff:3.500A)
    Processing helix  chain 'l' and resid 44 through 46
      No H-bonds generated for 'chain 'l' and resid 44 through 46'
    Processing helix  chain 'l' and resid 55 through 57
      No H-bonds generated for 'chain 'l' and resid 55 through 57'
    Processing helix  chain 'l' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG l  68 " --> pdb=" O   GLY l  64 " (cutoff:3.500A)
    Processing helix  chain 'l' and resid 87 through 108
      removed outlier: 3.535A  pdb=" N   TYR l  91 " --> pdb=" O   PRO l  87 " (cutoff:3.500A)
      removed outlier: 3.731A  pdb=" N   GLU l  95 " --> pdb=" O   TYR l  91 " (cutoff:3.500A)
    Processing helix  chain 'l' and resid 120 through 127
    Processing helix  chain 'l' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER l 152 " --> pdb=" O   ASN l 148 " (cutoff:3.500A)
    Processing helix  chain 'm' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG m  29 " --> pdb=" O   ALA m  25 " (cutoff:3.500A)
    Processing helix  chain 'm' and resid 44 through 46
      No H-bonds generated for 'chain 'm' and resid 44 through 46'
    Processing helix  chain 'm' and resid 55 through 57
      No H-bonds generated for 'chain 'm' and resid 55 through 57'
    Processing helix  chain 'm' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG m  68 " --> pdb=" O   GLY m  64 " (cutoff:3.500A)
    Processing helix  chain 'm' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR m  91 " --> pdb=" O   PRO m  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU m  95 " --> pdb=" O   TYR m  91 " (cutoff:3.500A)
    Processing helix  chain 'm' and resid 120 through 127
    Processing helix  chain 'm' and resid 134 through 154
      removed outlier: 3.697A  pdb=" N   SER m 152 " --> pdb=" O   ASN m 148 " (cutoff:3.500A)
    Processing helix  chain 'n' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG n  29 " --> pdb=" O   ALA n  25 " (cutoff:3.500A)
    Processing helix  chain 'n' and resid 44 through 46
      No H-bonds generated for 'chain 'n' and resid 44 through 46'
    Processing helix  chain 'n' and resid 55 through 57
      No H-bonds generated for 'chain 'n' and resid 55 through 57'
    Processing helix  chain 'n' and resid 58 through 68
      removed outlier: 3.565A  pdb=" N   ARG n  68 " --> pdb=" O   GLY n  64 " (cutoff:3.500A)
    Processing helix  chain 'n' and resid 87 through 108
      removed outlier: 3.535A  pdb=" N   TYR n  91 " --> pdb=" O   PRO n  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU n  95 " --> pdb=" O   TYR n  91 " (cutoff:3.500A)
    Processing helix  chain 'n' and resid 120 through 127
    Processing helix  chain 'n' and resid 134 through 154
      removed outlier: 3.695A  pdb=" N   SER n 152 " --> pdb=" O   ASN n 148 " (cutoff:3.500A)
    Processing helix  chain 'o' and resid 23 through 41
      removed outlier: 3.975A  pdb=" N   ARG o  29 " --> pdb=" O   ALA o  25 " (cutoff:3.500A)
    Processing helix  chain 'o' and resid 44 through 46
      No H-bonds generated for 'chain 'o' and resid 44 through 46'
    Processing helix  chain 'o' and resid 55 through 57
      No H-bonds generated for 'chain 'o' and resid 55 through 57'
    Processing helix  chain 'o' and resid 58 through 68
      removed outlier: 3.565A  pdb=" N   ARG o  68 " --> pdb=" O   GLY o  64 " (cutoff:3.500A)
    Processing helix  chain 'o' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR o  91 " --> pdb=" O   PRO o  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU o  95 " --> pdb=" O   TYR o  91 " (cutoff:3.500A)
    Processing helix  chain 'o' and resid 120 through 127
    Processing helix  chain 'o' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER o 152 " --> pdb=" O   ASN o 148 " (cutoff:3.500A)
    Processing helix  chain 'p' and resid 23 through 41
      removed outlier: 3.975A  pdb=" N   ARG p  29 " --> pdb=" O   ALA p  25 " (cutoff:3.500A)
    Processing helix  chain 'p' and resid 44 through 46
      No H-bonds generated for 'chain 'p' and resid 44 through 46'
    Processing helix  chain 'p' and resid 55 through 57
      No H-bonds generated for 'chain 'p' and resid 55 through 57'
    Processing helix  chain 'p' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG p  68 " --> pdb=" O   GLY p  64 " (cutoff:3.500A)
    Processing helix  chain 'p' and resid 87 through 108
      removed outlier: 3.535A  pdb=" N   TYR p  91 " --> pdb=" O   PRO p  87 " (cutoff:3.500A)
      removed outlier: 3.731A  pdb=" N   GLU p  95 " --> pdb=" O   TYR p  91 " (cutoff:3.500A)
    Processing helix  chain 'p' and resid 120 through 127
    Processing helix  chain 'p' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER p 152 " --> pdb=" O   ASN p 148 " (cutoff:3.500A)
    Processing helix  chain 'q' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG q  29 " --> pdb=" O   ALA q  25 " (cutoff:3.500A)
    Processing helix  chain 'q' and resid 44 through 46
      No H-bonds generated for 'chain 'q' and resid 44 through 46'
    Processing helix  chain 'q' and resid 55 through 57
      No H-bonds generated for 'chain 'q' and resid 55 through 57'
    Processing helix  chain 'q' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG q  68 " --> pdb=" O   GLY q  64 " (cutoff:3.500A)
    Processing helix  chain 'q' and resid 87 through 108
      removed outlier: 3.535A  pdb=" N   TYR q  91 " --> pdb=" O   PRO q  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU q  95 " --> pdb=" O   TYR q  91 " (cutoff:3.500A)
    Processing helix  chain 'q' and resid 120 through 127
    Processing helix  chain 'q' and resid 134 through 154
      removed outlier: 3.697A  pdb=" N   SER q 152 " --> pdb=" O   ASN q 148 " (cutoff:3.500A)
    Processing helix  chain 'r' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG r  29 " --> pdb=" O   ALA r  25 " (cutoff:3.500A)
    Processing helix  chain 'r' and resid 44 through 46
      No H-bonds generated for 'chain 'r' and resid 44 through 46'
    Processing helix  chain 'r' and resid 55 through 57
      No H-bonds generated for 'chain 'r' and resid 55 through 57'
    Processing helix  chain 'r' and resid 58 through 68
      removed outlier: 3.565A  pdb=" N   ARG r  68 " --> pdb=" O   GLY r  64 " (cutoff:3.500A)
    Processing helix  chain 'r' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR r  91 " --> pdb=" O   PRO r  87 " (cutoff:3.500A)
      removed outlier: 3.729A  pdb=" N   GLU r  95 " --> pdb=" O   TYR r  91 " (cutoff:3.500A)
    Processing helix  chain 'r' and resid 120 through 127
    Processing helix  chain 'r' and resid 134 through 154
      removed outlier: 3.695A  pdb=" N   SER r 152 " --> pdb=" O   ASN r 148 " (cutoff:3.500A)
    Processing helix  chain 's' and resid 23 through 41
      removed outlier: 3.975A  pdb=" N   ARG s  29 " --> pdb=" O   ALA s  25 " (cutoff:3.500A)
    Processing helix  chain 's' and resid 44 through 46
      No H-bonds generated for 'chain 's' and resid 44 through 46'
    Processing helix  chain 's' and resid 55 through 57
      No H-bonds generated for 'chain 's' and resid 55 through 57'
    Processing helix  chain 's' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG s  68 " --> pdb=" O   GLY s  64 " (cutoff:3.500A)
    Processing helix  chain 's' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR s  91 " --> pdb=" O   PRO s  87 " (cutoff:3.500A)
      removed outlier: 3.729A  pdb=" N   GLU s  95 " --> pdb=" O   TYR s  91 " (cutoff:3.500A)
    Processing helix  chain 's' and resid 120 through 127
    Processing helix  chain 's' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER s 152 " --> pdb=" O   ASN s 148 " (cutoff:3.500A)
    Processing helix  chain 't' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG t  29 " --> pdb=" O   ALA t  25 " (cutoff:3.500A)
    Processing helix  chain 't' and resid 44 through 46
      No H-bonds generated for 'chain 't' and resid 44 through 46'
    Processing helix  chain 't' and resid 55 through 57
      No H-bonds generated for 'chain 't' and resid 55 through 57'
    Processing helix  chain 't' and resid 58 through 68
      removed outlier: 3.565A  pdb=" N   ARG t  68 " --> pdb=" O   GLY t  64 " (cutoff:3.500A)
    Processing helix  chain 't' and resid 87 through 108
      removed outlier: 3.535A  pdb=" N   TYR t  91 " --> pdb=" O   PRO t  87 " (cutoff:3.500A)
      removed outlier: 3.729A  pdb=" N   GLU t  95 " --> pdb=" O   TYR t  91 " (cutoff:3.500A)
    Processing helix  chain 't' and resid 120 through 127
    Processing helix  chain 't' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER t 152 " --> pdb=" O   ASN t 148 " (cutoff:3.500A)
    Processing helix  chain 'u' and resid 23 through 41
      removed outlier: 3.973A  pdb=" N   ARG u  29 " --> pdb=" O   ALA u  25 " (cutoff:3.500A)
    Processing helix  chain 'u' and resid 44 through 46
      No H-bonds generated for 'chain 'u' and resid 44 through 46'
    Processing helix  chain 'u' and resid 55 through 57
      No H-bonds generated for 'chain 'u' and resid 55 through 57'
    Processing helix  chain 'u' and resid 58 through 68
      removed outlier: 3.567A  pdb=" N   ARG u  68 " --> pdb=" O   GLY u  64 " (cutoff:3.500A)
    Processing helix  chain 'u' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR u  91 " --> pdb=" O   PRO u  87 " (cutoff:3.500A)
      removed outlier: 3.729A  pdb=" N   GLU u  95 " --> pdb=" O   TYR u  91 " (cutoff:3.500A)
    Processing helix  chain 'u' and resid 120 through 127
    Processing helix  chain 'u' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER u 152 " --> pdb=" O   ASN u 148 " (cutoff:3.500A)
    Processing helix  chain 'v' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG v  29 " --> pdb=" O   ALA v  25 " (cutoff:3.500A)
    Processing helix  chain 'v' and resid 44 through 46
      No H-bonds generated for 'chain 'v' and resid 44 through 46'
    Processing helix  chain 'v' and resid 55 through 57
      No H-bonds generated for 'chain 'v' and resid 55 through 57'
    Processing helix  chain 'v' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG v  68 " --> pdb=" O   GLY v  64 " (cutoff:3.500A)
    Processing helix  chain 'v' and resid 87 through 108
      removed outlier: 3.535A  pdb=" N   TYR v  91 " --> pdb=" O   PRO v  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU v  95 " --> pdb=" O   TYR v  91 " (cutoff:3.500A)
    Processing helix  chain 'v' and resid 120 through 127
    Processing helix  chain 'v' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER v 152 " --> pdb=" O   ASN v 148 " (cutoff:3.500A)
    Processing helix  chain 'w' and resid 23 through 41
      removed outlier: 3.975A  pdb=" N   ARG w  29 " --> pdb=" O   ALA w  25 " (cutoff:3.500A)
    Processing helix  chain 'w' and resid 44 through 46
      No H-bonds generated for 'chain 'w' and resid 44 through 46'
    Processing helix  chain 'w' and resid 55 through 57
      No H-bonds generated for 'chain 'w' and resid 55 through 57'
    Processing helix  chain 'w' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG w  68 " --> pdb=" O   GLY w  64 " (cutoff:3.500A)
    Processing helix  chain 'w' and resid 87 through 108
      removed outlier: 3.536A  pdb=" N   TYR w  91 " --> pdb=" O   PRO w  87 " (cutoff:3.500A)
      removed outlier: 3.731A  pdb=" N   GLU w  95 " --> pdb=" O   TYR w  91 " (cutoff:3.500A)
    Processing helix  chain 'w' and resid 120 through 127
    Processing helix  chain 'w' and resid 134 through 154
      removed outlier: 3.697A  pdb=" N   SER w 152 " --> pdb=" O   ASN w 148 " (cutoff:3.500A)
    Processing helix  chain 'x' and resid 23 through 41
      removed outlier: 3.974A  pdb=" N   ARG x  29 " --> pdb=" O   ALA x  25 " (cutoff:3.500A)
    Processing helix  chain 'x' and resid 44 through 46
      No H-bonds generated for 'chain 'x' and resid 44 through 46'
    Processing helix  chain 'x' and resid 55 through 57
      No H-bonds generated for 'chain 'x' and resid 55 through 57'
    Processing helix  chain 'x' and resid 58 through 68
      removed outlier: 3.566A  pdb=" N   ARG x  68 " --> pdb=" O   GLY x  64 " (cutoff:3.500A)
    Processing helix  chain 'x' and resid 87 through 108
      removed outlier: 3.535A  pdb=" N   TYR x  91 " --> pdb=" O   PRO x  87 " (cutoff:3.500A)
      removed outlier: 3.730A  pdb=" N   GLU x  95 " --> pdb=" O   TYR x  91 " (cutoff:3.500A)
    Processing helix  chain 'x' and resid 120 through 127
    Processing helix  chain 'x' and resid 134 through 154
      removed outlier: 3.696A  pdb=" N   SER x 152 " --> pdb=" O   ASN x 148 " (cutoff:3.500A)
    Processing sheet with id=AA1, first strand: chain 'A' and resid 2 through 4
      removed outlier: 6.199A  pdb=" N   GLU A   2 " --> pdb=" O   LEU M  50 " (cutoff:3.500A)
      removed outlier: 7.597A  pdb=" N   ARG M  52 " --> pdb=" O   GLU A   2 " (cutoff:3.500A)
      removed outlier: 6.784A  pdb=" N   TYR A   4 " --> pdb=" O   ARG M  52 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY M  16 " --> pdb=" O   ILE M  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE M  78 " --> pdb=" O   GLY M  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL M  18 " --> pdb=" O   ILE M  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL M  80 " --> pdb=" O   VAL M  18 " (cutoff:3.500A)
      removed outlier: 7.898A  pdb=" N   SER M  20 " --> pdb=" O   VAL M  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE M  82 " --> pdb=" O   SER M  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY M  79 " --> pdb=" O   GLY M 114 " (cutoff:3.500A)
    Processing sheet with id=AA2, first strand: chain 'A' and resid 111 through 118
      removed outlier: 3.764A  pdb=" N   GLY A  79 " --> pdb=" O   GLY A 114 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY A  16 " --> pdb=" O   ILE A  76 " (cutoff:3.500A)
      removed outlier: 7.567A  pdb=" N   ILE A  78 " --> pdb=" O   GLY A  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL A  18 " --> pdb=" O   ILE A  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL A  80 " --> pdb=" O   VAL A  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER A  20 " --> pdb=" O   VAL A  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE A  82 " --> pdb=" O   SER A  20 " (cutoff:3.500A)
    Processing sheet with id=AA3, first strand: chain 'B' and resid 2 through 4
      removed outlier: 6.102A  pdb=" N   GLU B   2 " --> pdb=" O   LEU E  50 " (cutoff:3.500A)
      removed outlier: 7.512A  pdb=" N   ARG E  52 " --> pdb=" O   GLU B   2 " (cutoff:3.500A)
      removed outlier: 6.706A  pdb=" N   TYR B   4 " --> pdb=" O   ARG E  52 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY E  16 " --> pdb=" O   ILE E  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE E  78 " --> pdb=" O   GLY E  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL E  18 " --> pdb=" O   ILE E  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL E  80 " --> pdb=" O   VAL E  18 " (cutoff:3.500A)
      removed outlier: 7.898A  pdb=" N   SER E  20 " --> pdb=" O   VAL E  80 " (cutoff:3.500A)
      removed outlier: 11.923A  pdb=" N   ILE E  82 " --> pdb=" O   SER E  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY E  79 " --> pdb=" O   GLY E 114 " (cutoff:3.500A)
    Processing sheet with id=AA4, first strand: chain 'B' and resid 111 through 118
      removed outlier: 3.764A  pdb=" N   GLY B  79 " --> pdb=" O   GLY B 114 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY B  16 " --> pdb=" O   ILE B  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE B  78 " --> pdb=" O   GLY B  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL B  18 " --> pdb=" O   ILE B  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL B  80 " --> pdb=" O   VAL B  18 " (cutoff:3.500A)
      removed outlier: 7.900A  pdb=" N   SER B  20 " --> pdb=" O   VAL B  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE B  82 " --> pdb=" O   SER B  20 " (cutoff:3.500A)
    Processing sheet with id=AA5, first strand: chain 'C' and resid 2 through 4
      removed outlier: 6.341A  pdb=" N   GLU C   2 " --> pdb=" O   LEU W  50 " (cutoff:3.500A)
      removed outlier: 7.701A  pdb=" N   ARG W  52 " --> pdb=" O   GLU C   2 " (cutoff:3.500A)
      removed outlier: 6.915A  pdb=" N   TYR C   4 " --> pdb=" O   ARG W  52 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY W  16 " --> pdb=" O   ILE W  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE W  78 " --> pdb=" O   GLY W  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL W  18 " --> pdb=" O   ILE W  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL W  80 " --> pdb=" O   VAL W  18 " (cutoff:3.500A)
      removed outlier: 7.898A  pdb=" N   SER W  20 " --> pdb=" O   VAL W  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE W  82 " --> pdb=" O   SER W  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY W  79 " --> pdb=" O   GLY W 114 " (cutoff:3.500A)
    Processing sheet with id=AA6, first strand: chain 'C' and resid 111 through 118
      removed outlier: 3.764A  pdb=" N   GLY C  79 " --> pdb=" O   GLY C 114 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY C  16 " --> pdb=" O   ILE C  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE C  78 " --> pdb=" O   GLY C  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL C  18 " --> pdb=" O   ILE C  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL C  80 " --> pdb=" O   VAL C  18 " (cutoff:3.500A)
      removed outlier: 7.898A  pdb=" N   SER C  20 " --> pdb=" O   VAL C  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE C  82 " --> pdb=" O   SER C  20 " (cutoff:3.500A)
    Processing sheet with id=AA7, first strand: chain 'D' and resid 2 through 4
      removed outlier: 6.453A  pdb=" N   GLY 1  16 " --> pdb=" O   ILE 1  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE 1  78 " --> pdb=" O   GLY 1  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL 1  18 " --> pdb=" O   ILE 1  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL 1  80 " --> pdb=" O   VAL 1  18 " (cutoff:3.500A)
      removed outlier: 7.898A  pdb=" N   SER 1  20 " --> pdb=" O   VAL 1  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE 1  82 " --> pdb=" O   SER 1  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY 1  79 " --> pdb=" O   GLY 1 114 " (cutoff:3.500A)
    Processing sheet with id=AA8, first strand: chain 'D' and resid 111 through 118
      removed outlier: 3.764A  pdb=" N   GLY D  79 " --> pdb=" O   GLY D 114 " (cutoff:3.500A)
      removed outlier: 6.452A  pdb=" N   GLY D  16 " --> pdb=" O   ILE D  76 " (cutoff:3.500A)
      removed outlier: 7.567A  pdb=" N   ILE D  78 " --> pdb=" O   GLY D  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL D  18 " --> pdb=" O   ILE D  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL D  80 " --> pdb=" O   VAL D  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER D  20 " --> pdb=" O   VAL D  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE D  82 " --> pdb=" O   SER D  20 " (cutoff:3.500A)
    Processing sheet with id=AA9, first strand: chain 'E' and resid 2 through 4
      removed outlier: 6.320A  pdb=" N   GLU E   2 " --> pdb=" O   LEU a  50 " (cutoff:3.500A)
      removed outlier: 7.752A  pdb=" N   ARG a  52 " --> pdb=" O   GLU E   2 " (cutoff:3.500A)
      removed outlier: 6.945A  pdb=" N   TYR E   4 " --> pdb=" O   ARG a  52 " (cutoff:3.500A)
      removed outlier: 6.452A  pdb=" N   GLY a  16 " --> pdb=" O   ILE a  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE a  78 " --> pdb=" O   GLY a  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL a  18 " --> pdb=" O   ILE a  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL a  80 " --> pdb=" O   VAL a  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER a  20 " --> pdb=" O   VAL a  80 " (cutoff:3.500A)
      removed outlier: 11.923A  pdb=" N   ILE a  82 " --> pdb=" O   SER a  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY a  79 " --> pdb=" O   GLY a 114 " (cutoff:3.500A)
    Processing sheet with id=AB1, first strand: chain 'F' and resid 2 through 4
      removed outlier: 6.453A  pdb=" N   GLY Q  16 " --> pdb=" O   ILE Q  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE Q  78 " --> pdb=" O   GLY Q  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL Q  18 " --> pdb=" O   ILE Q  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL Q  80 " --> pdb=" O   VAL Q  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER Q  20 " --> pdb=" O   VAL Q  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE Q  82 " --> pdb=" O   SER Q  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY Q  79 " --> pdb=" O   GLY Q 114 " (cutoff:3.500A)
    Processing sheet with id=AB2, first strand: chain 'F' and resid 111 through 118
      removed outlier: 3.765A  pdb=" N   GLY F  79 " --> pdb=" O   GLY F 114 " (cutoff:3.500A)
      removed outlier: 6.452A  pdb=" N   GLY F  16 " --> pdb=" O   ILE F  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE F  78 " --> pdb=" O   GLY F  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL F  18 " --> pdb=" O   ILE F  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL F  80 " --> pdb=" O   VAL F  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER F  20 " --> pdb=" O   VAL F  80 " (cutoff:3.500A)
      removed outlier: 11.923A  pdb=" N   ILE F  82 " --> pdb=" O   SER F  20 " (cutoff:3.500A)
      removed outlier: 6.826A  pdb=" N   ILE F  48 " --> pdb=" O   GLU I   2 " (cutoff:3.500A)
      removed outlier: 7.987A  pdb=" N   TYR I   4 " --> pdb=" O   ILE F  48 " (cutoff:3.500A)
      removed outlier: 6.509A  pdb=" N   LEU F  50 " --> pdb=" O   TYR I   4 " (cutoff:3.500A)
    Processing sheet with id=AB3, first strand: chain 'G' and resid 111 through 118
      removed outlier: 3.764A  pdb=" N   GLY G  79 " --> pdb=" O   GLY G 114 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY G  16 " --> pdb=" O   ILE G  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE G  78 " --> pdb=" O   GLY G  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL G  18 " --> pdb=" O   ILE G  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL G  80 " --> pdb=" O   VAL G  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER G  20 " --> pdb=" O   VAL G  80 " (cutoff:3.500A)
      removed outlier: 11.923A  pdb=" N   ILE G  82 " --> pdb=" O   SER G  20 " (cutoff:3.500A)
    Processing sheet with id=AB4, first strand: chain 'H' and resid 2 through 4
      removed outlier: 6.283A  pdb=" N   GLU H   2 " --> pdb=" O   LEU P  50 " (cutoff:3.500A)
      removed outlier: 7.658A  pdb=" N   ARG P  52 " --> pdb=" O   GLU H   2 " (cutoff:3.500A)
      removed outlier: 6.877A  pdb=" N   TYR H   4 " --> pdb=" O   ARG P  52 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY P  16 " --> pdb=" O   ILE P  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE P  78 " --> pdb=" O   GLY P  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL P  18 " --> pdb=" O   ILE P  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL P  80 " --> pdb=" O   VAL P  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER P  20 " --> pdb=" O   VAL P  80 " (cutoff:3.500A)
      removed outlier: 11.921A  pdb=" N   ILE P  82 " --> pdb=" O   SER P  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY P  79 " --> pdb=" O   GLY P 114 " (cutoff:3.500A)
    Processing sheet with id=AB5, first strand: chain 'H' and resid 111 through 118
      removed outlier: 3.765A  pdb=" N   GLY H  79 " --> pdb=" O   GLY H 114 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY H  16 " --> pdb=" O   ILE H  76 " (cutoff:3.500A)
      removed outlier: 7.565A  pdb=" N   ILE H  78 " --> pdb=" O   GLY H  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL H  18 " --> pdb=" O   ILE H  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL H  80 " --> pdb=" O   VAL H  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER H  20 " --> pdb=" O   VAL H  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE H  82 " --> pdb=" O   SER H  20 " (cutoff:3.500A)
      removed outlier: 6.806A  pdb=" N   ILE H  48 " --> pdb=" O   GLU 5   2 " (cutoff:3.500A)
      removed outlier: 7.993A  pdb=" N   TYR 5   4 " --> pdb=" O   ILE H  48 " (cutoff:3.500A)
      removed outlier: 6.514A  pdb=" N   LEU H  50 " --> pdb=" O   TYR 5   4 " (cutoff:3.500A)
    Processing sheet with id=AB6, first strand: chain 'I' and resid 111 through 118
      removed outlier: 3.764A  pdb=" N   GLY I  79 " --> pdb=" O   GLY I 114 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY I  16 " --> pdb=" O   ILE I  76 " (cutoff:3.500A)
      removed outlier: 7.565A  pdb=" N   ILE I  78 " --> pdb=" O   GLY I  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL I  18 " --> pdb=" O   ILE I  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL I  80 " --> pdb=" O   VAL I  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER I  20 " --> pdb=" O   VAL I  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE I  82 " --> pdb=" O   SER I  20 " (cutoff:3.500A)
      removed outlier: 3.546A  pdb=" N   GLU 4   2 " --> pdb=" O   ILE I  48 " (cutoff:3.500A)
    Processing sheet with id=AB7, first strand: chain 'J' and resid 111 through 118
      removed outlier: 3.764A  pdb=" N   GLY J  79 " --> pdb=" O   GLY J 114 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY J  16 " --> pdb=" O   ILE J  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE J  78 " --> pdb=" O   GLY J  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL J  18 " --> pdb=" O   ILE J  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL J  80 " --> pdb=" O   VAL J  18 " (cutoff:3.500A)
      removed outlier: 7.900A  pdb=" N   SER J  20 " --> pdb=" O   VAL J  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE J  82 " --> pdb=" O   SER J  20 " (cutoff:3.500A)
    Processing sheet with id=AB8, first strand: chain 'K' and resid 2 through 4
      removed outlier: 6.285A  pdb=" N   GLU K   2 " --> pdb=" O   LEU i  50 " (cutoff:3.500A)
      removed outlier: 7.666A  pdb=" N   ARG i  52 " --> pdb=" O   GLU K   2 " (cutoff:3.500A)
      removed outlier: 6.876A  pdb=" N   TYR K   4 " --> pdb=" O   ARG i  52 " (cutoff:3.500A)
      removed outlier: 6.452A  pdb=" N   GLY i  16 " --> pdb=" O   ILE i  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE i  78 " --> pdb=" O   GLY i  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL i  18 " --> pdb=" O   ILE i  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL i  80 " --> pdb=" O   VAL i  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER i  20 " --> pdb=" O   VAL i  80 " (cutoff:3.500A)
      removed outlier: 11.923A  pdb=" N   ILE i  82 " --> pdb=" O   SER i  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY i  79 " --> pdb=" O   GLY i 114 " (cutoff:3.500A)
    Processing sheet with id=AB9, first strand: chain 'K' and resid 111 through 118
      removed outlier: 3.764A  pdb=" N   GLY K  79 " --> pdb=" O   GLY K 114 " (cutoff:3.500A)
      removed outlier: 6.452A  pdb=" N   GLY K  16 " --> pdb=" O   ILE K  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE K  78 " --> pdb=" O   GLY K  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL K  18 " --> pdb=" O   ILE K  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL K  80 " --> pdb=" O   VAL K  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER K  20 " --> pdb=" O   VAL K  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE K  82 " --> pdb=" O   SER K  20 " (cutoff:3.500A)
    Processing sheet with id=AC1, first strand: chain 'L' and resid 111 through 118
      removed outlier: 3.764A  pdb=" N   GLY L  79 " --> pdb=" O   GLY L 114 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY L  16 " --> pdb=" O   ILE L  76 " (cutoff:3.500A)
      removed outlier: 7.565A  pdb=" N   ILE L  78 " --> pdb=" O   GLY L  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL L  18 " --> pdb=" O   ILE L  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL L  80 " --> pdb=" O   VAL L  18 " (cutoff:3.500A)
      removed outlier: 7.898A  pdb=" N   SER L  20 " --> pdb=" O   VAL L  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE L  82 " --> pdb=" O   SER L  20 " (cutoff:3.500A)
    Processing sheet with id=AC2, first strand: chain 'M' and resid 2 through 4
      removed outlier: 6.282A  pdb=" N   GLU M   2 " --> pdb=" O   LEU h  50 " (cutoff:3.500A)
      removed outlier: 7.694A  pdb=" N   ARG h  52 " --> pdb=" O   GLU M   2 " (cutoff:3.500A)
      removed outlier: 6.890A  pdb=" N   TYR M   4 " --> pdb=" O   ARG h  52 " (cutoff:3.500A)
      removed outlier: 6.452A  pdb=" N   GLY h  16 " --> pdb=" O   ILE h  76 " (cutoff:3.500A)
      removed outlier: 7.565A  pdb=" N   ILE h  78 " --> pdb=" O   GLY h  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL h  18 " --> pdb=" O   ILE h  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL h  80 " --> pdb=" O   VAL h  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER h  20 " --> pdb=" O   VAL h  80 " (cutoff:3.500A)
      removed outlier: 11.921A  pdb=" N   ILE h  82 " --> pdb=" O   SER h  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY h  79 " --> pdb=" O   GLY h 114 " (cutoff:3.500A)
    Processing sheet with id=AC3, first strand: chain 'N' and resid 2 through 4
      removed outlier: 6.335A  pdb=" N   GLU N   2 " --> pdb=" O   LEU X  50 " (cutoff:3.500A)
      removed outlier: 7.732A  pdb=" N   ARG X  52 " --> pdb=" O   GLU N   2 " (cutoff:3.500A)
      removed outlier: 6.944A  pdb=" N   TYR N   4 " --> pdb=" O   ARG X  52 " (cutoff:3.500A)
      removed outlier: 6.452A  pdb=" N   GLY X  16 " --> pdb=" O   ILE X  76 " (cutoff:3.500A)
      removed outlier: 7.567A  pdb=" N   ILE X  78 " --> pdb=" O   GLY X  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL X  18 " --> pdb=" O   ILE X  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL X  80 " --> pdb=" O   VAL X  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER X  20 " --> pdb=" O   VAL X  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE X  82 " --> pdb=" O   SER X  20 " (cutoff:3.500A)
      removed outlier: 3.763A  pdb=" N   GLY X  79 " --> pdb=" O   GLY X 114 " (cutoff:3.500A)
    Processing sheet with id=AC4, first strand: chain 'N' and resid 111 through 118
      removed outlier: 3.763A  pdb=" N   GLY N  79 " --> pdb=" O   GLY N 114 " (cutoff:3.500A)
      removed outlier: 6.452A  pdb=" N   GLY N  16 " --> pdb=" O   ILE N  76 " (cutoff:3.500A)
      removed outlier: 7.567A  pdb=" N   ILE N  78 " --> pdb=" O   GLY N  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL N  18 " --> pdb=" O   ILE N  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL N  80 " --> pdb=" O   VAL N  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER N  20 " --> pdb=" O   VAL N  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE N  82 " --> pdb=" O   SER N  20 " (cutoff:3.500A)
      removed outlier: 6.671A  pdb=" N   ILE N  48 " --> pdb=" O   GLU R   2 " (cutoff:3.500A)
      removed outlier: 7.883A  pdb=" N   TYR R   4 " --> pdb=" O   ILE N  48 " (cutoff:3.500A)
      removed outlier: 6.403A  pdb=" N   LEU N  50 " --> pdb=" O   TYR R   4 " (cutoff:3.500A)
    Processing sheet with id=AC5, first strand: chain 'O' and resid 2 through 4
      removed outlier: 6.290A  pdb=" N   GLU O   2 " --> pdb=" O   LEU 9  50 " (cutoff:3.500A)
      removed outlier: 7.692A  pdb=" N   ARG 9  52 " --> pdb=" O   GLU O   2 " (cutoff:3.500A)
      removed outlier: 6.920A  pdb=" N   TYR O   4 " --> pdb=" O   ARG 9  52 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY 9  16 " --> pdb=" O   ILE 9  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE 9  78 " --> pdb=" O   GLY 9  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL 9  18 " --> pdb=" O   ILE 9  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL 9  80 " --> pdb=" O   VAL 9  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER 9  20 " --> pdb=" O   VAL 9  80 " (cutoff:3.500A)
      removed outlier: 11.921A  pdb=" N   ILE 9  82 " --> pdb=" O   SER 9  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY 9  79 " --> pdb=" O   GLY 9 114 " (cutoff:3.500A)
    Processing sheet with id=AC6, first strand: chain 'O' and resid 111 through 118
      removed outlier: 3.763A  pdb=" N   GLY O  79 " --> pdb=" O   GLY O 114 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY O  16 " --> pdb=" O   ILE O  76 " (cutoff:3.500A)
      removed outlier: 7.567A  pdb=" N   ILE O  78 " --> pdb=" O   GLY O  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL O  18 " --> pdb=" O   ILE O  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL O  80 " --> pdb=" O   VAL O  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER O  20 " --> pdb=" O   VAL O  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE O  82 " --> pdb=" O   SER O  20 " (cutoff:3.500A)
    Processing sheet with id=AC7, first strand: chain 'P' and resid 2 through 4
      removed outlier: 6.318A  pdb=" N   GLU P   2 " --> pdb=" O   LEU l  50 " (cutoff:3.500A)
      removed outlier: 7.681A  pdb=" N   ARG l  52 " --> pdb=" O   GLU P   2 " (cutoff:3.500A)
      removed outlier: 6.907A  pdb=" N   TYR P   4 " --> pdb=" O   ARG l  52 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY l  16 " --> pdb=" O   ILE l  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE l  78 " --> pdb=" O   GLY l  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL l  18 " --> pdb=" O   ILE l  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL l  80 " --> pdb=" O   VAL l  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER l  20 " --> pdb=" O   VAL l  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE l  82 " --> pdb=" O   SER l  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY l  79 " --> pdb=" O   GLY l 114 " (cutoff:3.500A)
    Processing sheet with id=AC8, first strand: chain 'Q' and resid 2 through 4
      removed outlier: 6.231A  pdb=" N   GLU Q   2 " --> pdb=" O   LEU j  50 " (cutoff:3.500A)
      removed outlier: 7.614A  pdb=" N   ARG j  52 " --> pdb=" O   GLU Q   2 " (cutoff:3.500A)
      removed outlier: 6.836A  pdb=" N   TYR Q   4 " --> pdb=" O   ARG j  52 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY j  16 " --> pdb=" O   ILE j  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE j  78 " --> pdb=" O   GLY j  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL j  18 " --> pdb=" O   ILE j  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL j  80 " --> pdb=" O   VAL j  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER j  20 " --> pdb=" O   VAL j  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE j  82 " --> pdb=" O   SER j  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY j  79 " --> pdb=" O   GLY j 114 " (cutoff:3.500A)
    Processing sheet with id=AC9, first strand: chain 'R' and resid 111 through 118
      removed outlier: 3.764A  pdb=" N   GLY R  79 " --> pdb=" O   GLY R 114 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY R  16 " --> pdb=" O   ILE R  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE R  78 " --> pdb=" O   GLY R  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL R  18 " --> pdb=" O   ILE R  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL R  80 " --> pdb=" O   VAL R  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER R  20 " --> pdb=" O   VAL R  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE R  82 " --> pdb=" O   SER R  20 " (cutoff:3.500A)
    Processing sheet with id=AD1, first strand: chain 'S' and resid 111 through 118
      removed outlier: 3.764A  pdb=" N   GLY S  79 " --> pdb=" O   GLY S 114 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY S  16 " --> pdb=" O   ILE S  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE S  78 " --> pdb=" O   GLY S  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL S  18 " --> pdb=" O   ILE S  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL S  80 " --> pdb=" O   VAL S  18 " (cutoff:3.500A)
      removed outlier: 7.898A  pdb=" N   SER S  20 " --> pdb=" O   VAL S  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE S  82 " --> pdb=" O   SER S  20 " (cutoff:3.500A)
      removed outlier: 6.709A  pdb=" N   ILE S  48 " --> pdb=" O   GLU e   2 " (cutoff:3.500A)
      removed outlier: 7.918A  pdb=" N   TYR e   4 " --> pdb=" O   ILE S  48 " (cutoff:3.500A)
      removed outlier: 6.432A  pdb=" N   LEU S  50 " --> pdb=" O   TYR e   4 " (cutoff:3.500A)
    Processing sheet with id=AD2, first strand: chain 'T' and resid 2 through 4
      removed outlier: 6.159A  pdb=" N   GLU T   2 " --> pdb=" O   LEU 0  50 " (cutoff:3.500A)
      removed outlier: 7.570A  pdb=" N   ARG 0  52 " --> pdb=" O   GLU T   2 " (cutoff:3.500A)
      removed outlier: 6.768A  pdb=" N   TYR T   4 " --> pdb=" O   ARG 0  52 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY 0  16 " --> pdb=" O   ILE 0  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE 0  78 " --> pdb=" O   GLY 0  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL 0  18 " --> pdb=" O   ILE 0  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL 0  80 " --> pdb=" O   VAL 0  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER 0  20 " --> pdb=" O   VAL 0  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE 0  82 " --> pdb=" O   SER 0  20 " (cutoff:3.500A)
      removed outlier: 3.763A  pdb=" N   GLY 0  79 " --> pdb=" O   GLY 0 114 " (cutoff:3.500A)
    Processing sheet with id=AD3, first strand: chain 'T' and resid 111 through 118
      removed outlier: 3.764A  pdb=" N   GLY T  79 " --> pdb=" O   GLY T 114 " (cutoff:3.500A)
      removed outlier: 6.452A  pdb=" N   GLY T  16 " --> pdb=" O   ILE T  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE T  78 " --> pdb=" O   GLY T  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL T  18 " --> pdb=" O   ILE T  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL T  80 " --> pdb=" O   VAL T  18 " (cutoff:3.500A)
      removed outlier: 7.898A  pdb=" N   SER T  20 " --> pdb=" O   VAL T  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE T  82 " --> pdb=" O   SER T  20 " (cutoff:3.500A)
    Processing sheet with id=AD4, first strand: chain 'U' and resid 2 through 4
      removed outlier: 6.111A  pdb=" N   GLU U   2 " --> pdb=" O   LEU V  50 " (cutoff:3.500A)
      removed outlier: 7.505A  pdb=" N   ARG V  52 " --> pdb=" O   GLU U   2 " (cutoff:3.500A)
      removed outlier: 6.721A  pdb=" N   TYR U   4 " --> pdb=" O   ARG V  52 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY V  16 " --> pdb=" O   ILE V  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE V  78 " --> pdb=" O   GLY V  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL V  18 " --> pdb=" O   ILE V  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL V  80 " --> pdb=" O   VAL V  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER V  20 " --> pdb=" O   VAL V  80 " (cutoff:3.500A)
      removed outlier: 11.921A  pdb=" N   ILE V  82 " --> pdb=" O   SER V  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY V  79 " --> pdb=" O   GLY V 114 " (cutoff:3.500A)
    Processing sheet with id=AD5, first strand: chain 'U' and resid 111 through 118
      removed outlier: 3.764A  pdb=" N   GLY U  79 " --> pdb=" O   GLY U 114 " (cutoff:3.500A)
      removed outlier: 6.452A  pdb=" N   GLY U  16 " --> pdb=" O   ILE U  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE U  78 " --> pdb=" O   GLY U  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL U  18 " --> pdb=" O   ILE U  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL U  80 " --> pdb=" O   VAL U  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER U  20 " --> pdb=" O   VAL U  80 " (cutoff:3.500A)
      removed outlier: 11.923A  pdb=" N   ILE U  82 " --> pdb=" O   SER U  20 " (cutoff:3.500A)
    Processing sheet with id=AD6, first strand: chain 'V' and resid 2 through 4
      removed outlier: 6.453A  pdb=" N   GLY g  16 " --> pdb=" O   ILE g  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE g  78 " --> pdb=" O   GLY g  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL g  18 " --> pdb=" O   ILE g  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL g  80 " --> pdb=" O   VAL g  18 " (cutoff:3.500A)
      removed outlier: 7.898A  pdb=" N   SER g  20 " --> pdb=" O   VAL g  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE g  82 " --> pdb=" O   SER g  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY g  79 " --> pdb=" O   GLY g 114 " (cutoff:3.500A)
    Processing sheet with id=AD7, first strand: chain 'W' and resid 2 through 4
      removed outlier: 6.453A  pdb=" N   GLY q  16 " --> pdb=" O   ILE q  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE q  78 " --> pdb=" O   GLY q  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL q  18 " --> pdb=" O   ILE q  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL q  80 " --> pdb=" O   VAL q  18 " (cutoff:3.500A)
      removed outlier: 7.898A  pdb=" N   SER q  20 " --> pdb=" O   VAL q  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE q  82 " --> pdb=" O   SER q  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY q  79 " --> pdb=" O   GLY q 114 " (cutoff:3.500A)
    Processing sheet with id=AD8, first strand: chain 'X' and resid 2 through 4
      removed outlier: 6.129A  pdb=" N   GLU X   2 " --> pdb=" O   LEU 2  50 " (cutoff:3.500A)
      removed outlier: 7.504A  pdb=" N   ARG 2  52 " --> pdb=" O   GLU X   2 " (cutoff:3.500A)
      removed outlier: 6.679A  pdb=" N   TYR X   4 " --> pdb=" O   ARG 2  52 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY 2  16 " --> pdb=" O   ILE 2  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE 2  78 " --> pdb=" O   GLY 2  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL 2  18 " --> pdb=" O   ILE 2  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL 2  80 " --> pdb=" O   VAL 2  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER 2  20 " --> pdb=" O   VAL 2  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE 2  82 " --> pdb=" O   SER 2  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY 2  79 " --> pdb=" O   GLY 2 114 " (cutoff:3.500A)
    Processing sheet with id=AD9, first strand: chain 'Y' and resid 111 through 118
      removed outlier: 3.764A  pdb=" N   GLY Y  79 " --> pdb=" O   GLY Y 114 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY Y  16 " --> pdb=" O   ILE Y  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE Y  78 " --> pdb=" O   GLY Y  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL Y  18 " --> pdb=" O   ILE Y  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL Y  80 " --> pdb=" O   VAL Y  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER Y  20 " --> pdb=" O   VAL Y  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE Y  82 " --> pdb=" O   SER Y  20 " (cutoff:3.500A)
      removed outlier: 6.687A  pdb=" N   ILE Y  48 " --> pdb=" O   GLU m   2 " (cutoff:3.500A)
      removed outlier: 7.878A  pdb=" N   TYR m   4 " --> pdb=" O   ILE Y  48 " (cutoff:3.500A)
      removed outlier: 6.406A  pdb=" N   LEU Y  50 " --> pdb=" O   TYR m   4 " (cutoff:3.500A)
    Processing sheet with id=AE1, first strand: chain 'Z' and resid 111 through 118
      removed outlier: 3.763A  pdb=" N   GLY Z  79 " --> pdb=" O   GLY Z 114 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY Z  16 " --> pdb=" O   ILE Z  76 " (cutoff:3.500A)
      removed outlier: 7.567A  pdb=" N   ILE Z  78 " --> pdb=" O   GLY Z  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL Z  18 " --> pdb=" O   ILE Z  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL Z  80 " --> pdb=" O   VAL Z  18 " (cutoff:3.500A)
      removed outlier: 7.898A  pdb=" N   SER Z  20 " --> pdb=" O   VAL Z  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE Z  82 " --> pdb=" O   SER Z  20 " (cutoff:3.500A)
      removed outlier: 6.596A  pdb=" N   ILE Z  48 " --> pdb=" O   GLU 2   2 " (cutoff:3.500A)
      removed outlier: 7.835A  pdb=" N   TYR 2   4 " --> pdb=" O   ILE Z  48 " (cutoff:3.500A)
      removed outlier: 6.347A  pdb=" N   LEU Z  50 " --> pdb=" O   TYR 2   4 " (cutoff:3.500A)
    Processing sheet with id=AE2, first strand: chain '0' and resid 2 through 4
      removed outlier: 6.114A  pdb=" N   GLU 0   2 " --> pdb=" O   LEU p  50 " (cutoff:3.500A)
      removed outlier: 7.517A  pdb=" N   ARG p  52 " --> pdb=" O   GLU 0   2 " (cutoff:3.500A)
      removed outlier: 6.730A  pdb=" N   TYR 0   4 " --> pdb=" O   ARG p  52 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY p  16 " --> pdb=" O   ILE p  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE p  78 " --> pdb=" O   GLY p  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL p  18 " --> pdb=" O   ILE p  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL p  80 " --> pdb=" O   VAL p  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER p  20 " --> pdb=" O   VAL p  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE p  82 " --> pdb=" O   SER p  20 " (cutoff:3.500A)
      removed outlier: 3.763A  pdb=" N   GLY p  79 " --> pdb=" O   GLY p 114 " (cutoff:3.500A)
    Processing sheet with id=AE3, first strand: chain '1' and resid 2 through 4
      removed outlier: 6.453A  pdb=" N   GLY s  16 " --> pdb=" O   ILE s  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE s  78 " --> pdb=" O   GLY s  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL s  18 " --> pdb=" O   ILE s  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL s  80 " --> pdb=" O   VAL s  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER s  20 " --> pdb=" O   VAL s  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE s  82 " --> pdb=" O   SER s  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY s  79 " --> pdb=" O   GLY s 114 " (cutoff:3.500A)
    Processing sheet with id=AE4, first strand: chain '3' and resid 111 through 118
      removed outlier: 3.763A  pdb=" N   GLY 3  79 " --> pdb=" O   GLY 3 114 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY 3  16 " --> pdb=" O   ILE 3  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE 3  78 " --> pdb=" O   GLY 3  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL 3  18 " --> pdb=" O   ILE 3  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL 3  80 " --> pdb=" O   VAL 3  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER 3  20 " --> pdb=" O   VAL 3  80 " (cutoff:3.500A)
      removed outlier: 11.923A  pdb=" N   ILE 3  82 " --> pdb=" O   SER 3  20 " (cutoff:3.500A)
    Processing sheet with id=AE5, first strand: chain '4' and resid 111 through 118
      removed outlier: 3.764A  pdb=" N   GLY 4  79 " --> pdb=" O   GLY 4 114 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY 4  16 " --> pdb=" O   ILE 4  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE 4  78 " --> pdb=" O   GLY 4  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL 4  18 " --> pdb=" O   ILE 4  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL 4  80 " --> pdb=" O   VAL 4  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER 4  20 " --> pdb=" O   VAL 4  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE 4  82 " --> pdb=" O   SER 4  20 " (cutoff:3.500A)
      removed outlier: 3.516A  pdb=" N   GLU j   2 " --> pdb=" O   ILE 4  48 " (cutoff:3.500A)
    Processing sheet with id=AE6, first strand: chain '5' and resid 111 through 118
      removed outlier: 3.763A  pdb=" N   GLY 5  79 " --> pdb=" O   GLY 5 114 " (cutoff:3.500A)
      removed outlier: 6.454A  pdb=" N   GLY 5  16 " --> pdb=" O   ILE 5  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE 5  78 " --> pdb=" O   GLY 5  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL 5  18 " --> pdb=" O   ILE 5  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL 5  80 " --> pdb=" O   VAL 5  18 " (cutoff:3.500A)
      removed outlier: 7.900A  pdb=" N   SER 5  20 " --> pdb=" O   VAL 5  80 " (cutoff:3.500A)
      removed outlier: 11.923A  pdb=" N   ILE 5  82 " --> pdb=" O   SER 5  20 " (cutoff:3.500A)
    Processing sheet with id=AE7, first strand: chain '6' and resid 111 through 118
      removed outlier: 3.764A  pdb=" N   GLY 6  79 " --> pdb=" O   GLY 6 114 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY 6  16 " --> pdb=" O   ILE 6  76 " (cutoff:3.500A)
      removed outlier: 7.567A  pdb=" N   ILE 6  78 " --> pdb=" O   GLY 6  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL 6  18 " --> pdb=" O   ILE 6  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL 6  80 " --> pdb=" O   VAL 6  18 " (cutoff:3.500A)
      removed outlier: 7.898A  pdb=" N   SER 6  20 " --> pdb=" O   VAL 6  80 " (cutoff:3.500A)
      removed outlier: 11.923A  pdb=" N   ILE 6  82 " --> pdb=" O   SER 6  20 " (cutoff:3.500A)
    Processing sheet with id=AE8, first strand: chain '7' and resid 111 through 118
      removed outlier: 3.763A  pdb=" N   GLY 7  79 " --> pdb=" O   GLY 7 114 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY 7  16 " --> pdb=" O   ILE 7  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE 7  78 " --> pdb=" O   GLY 7  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL 7  18 " --> pdb=" O   ILE 7  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL 7  80 " --> pdb=" O   VAL 7  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER 7  20 " --> pdb=" O   VAL 7  80 " (cutoff:3.500A)
      removed outlier: 11.923A  pdb=" N   ILE 7  82 " --> pdb=" O   SER 7  20 " (cutoff:3.500A)
    Processing sheet with id=AE9, first strand: chain '8' and resid 2 through 4
      removed outlier: 6.142A  pdb=" N   GLU 8   2 " --> pdb=" O   LEU k  50 " (cutoff:3.500A)
      removed outlier: 7.526A  pdb=" N   ARG k  52 " --> pdb=" O   GLU 8   2 " (cutoff:3.500A)
      removed outlier: 6.750A  pdb=" N   TYR 8   4 " --> pdb=" O   ARG k  52 " (cutoff:3.500A)
      removed outlier: 6.452A  pdb=" N   GLY k  16 " --> pdb=" O   ILE k  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE k  78 " --> pdb=" O   GLY k  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL k  18 " --> pdb=" O   ILE k  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL k  80 " --> pdb=" O   VAL k  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER k  20 " --> pdb=" O   VAL k  80 " (cutoff:3.500A)
      removed outlier: 11.923A  pdb=" N   ILE k  82 " --> pdb=" O   SER k  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY k  79 " --> pdb=" O   GLY k 114 " (cutoff:3.500A)
    Processing sheet with id=AF1, first strand: chain '8' and resid 111 through 118
      removed outlier: 3.764A  pdb=" N   GLY 8  79 " --> pdb=" O   GLY 8 114 " (cutoff:3.500A)
      removed outlier: 6.452A  pdb=" N   GLY 8  16 " --> pdb=" O   ILE 8  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE 8  78 " --> pdb=" O   GLY 8  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL 8  18 " --> pdb=" O   ILE 8  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL 8  80 " --> pdb=" O   VAL 8  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER 8  20 " --> pdb=" O   VAL 8  80 " (cutoff:3.500A)
      removed outlier: 11.921A  pdb=" N   ILE 8  82 " --> pdb=" O   SER 8  20 " (cutoff:3.500A)
      removed outlier: 6.722A  pdb=" N   ILE 8  48 " --> pdb=" O   GLU f   2 " (cutoff:3.500A)
      removed outlier: 7.916A  pdb=" N   TYR f   4 " --> pdb=" O   ILE 8  48 " (cutoff:3.500A)
      removed outlier: 6.436A  pdb=" N   LEU 8  50 " --> pdb=" O   TYR f   4 " (cutoff:3.500A)
    Processing sheet with id=AF2, first strand: chain '9' and resid 2 through 4
      removed outlier: 6.453A  pdb=" N   GLY r  16 " --> pdb=" O   ILE r  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE r  78 " --> pdb=" O   GLY r  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL r  18 " --> pdb=" O   ILE r  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL r  80 " --> pdb=" O   VAL r  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER r  20 " --> pdb=" O   VAL r  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE r  82 " --> pdb=" O   SER r  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY r  79 " --> pdb=" O   GLY r 114 " (cutoff:3.500A)
    Processing sheet with id=AF3, first strand: chain 'a' and resid 2 through 4
      removed outlier: 6.335A  pdb=" N   GLU a   2 " --> pdb=" O   LEU m  50 " (cutoff:3.500A)
      removed outlier: 7.741A  pdb=" N   ARG m  52 " --> pdb=" O   GLU a   2 " (cutoff:3.500A)
      removed outlier: 6.946A  pdb=" N   TYR a   4 " --> pdb=" O   ARG m  52 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY m  16 " --> pdb=" O   ILE m  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE m  78 " --> pdb=" O   GLY m  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL m  18 " --> pdb=" O   ILE m  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL m  80 " --> pdb=" O   VAL m  18 " (cutoff:3.500A)
      removed outlier: 7.898A  pdb=" N   SER m  20 " --> pdb=" O   VAL m  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE m  82 " --> pdb=" O   SER m  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY m  79 " --> pdb=" O   GLY m 114 " (cutoff:3.500A)
    Processing sheet with id=AF4, first strand: chain 'b' and resid 111 through 118
      removed outlier: 3.763A  pdb=" N   GLY b  79 " --> pdb=" O   GLY b 114 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY b  16 " --> pdb=" O   ILE b  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE b  78 " --> pdb=" O   GLY b  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL b  18 " --> pdb=" O   ILE b  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL b  80 " --> pdb=" O   VAL b  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER b  20 " --> pdb=" O   VAL b  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE b  82 " --> pdb=" O   SER b  20 " (cutoff:3.500A)
    Processing sheet with id=AF5, first strand: chain 'c' and resid 111 through 118
      removed outlier: 3.764A  pdb=" N   GLY c  79 " --> pdb=" O   GLY c 114 " (cutoff:3.500A)
      removed outlier: 6.452A  pdb=" N   GLY c  16 " --> pdb=" O   ILE c  76 " (cutoff:3.500A)
      removed outlier: 7.567A  pdb=" N   ILE c  78 " --> pdb=" O   GLY c  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL c  18 " --> pdb=" O   ILE c  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL c  80 " --> pdb=" O   VAL c  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER c  20 " --> pdb=" O   VAL c  80 " (cutoff:3.500A)
      removed outlier: 11.921A  pdb=" N   ILE c  82 " --> pdb=" O   SER c  20 " (cutoff:3.500A)
      removed outlier: 6.810A  pdb=" N   ILE c  48 " --> pdb=" O   GLU u   2 " (cutoff:3.500A)
      removed outlier: 7.977A  pdb=" N   TYR u   4 " --> pdb=" O   ILE c  48 " (cutoff:3.500A)
      removed outlier: 6.504A  pdb=" N   LEU c  50 " --> pdb=" O   TYR u   4 " (cutoff:3.500A)
    Processing sheet with id=AF6, first strand: chain 'd' and resid 111 through 118
      removed outlier: 3.764A  pdb=" N   GLY d  79 " --> pdb=" O   GLY d 114 " (cutoff:3.500A)
      removed outlier: 6.452A  pdb=" N   GLY d  16 " --> pdb=" O   ILE d  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE d  78 " --> pdb=" O   GLY d  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL d  18 " --> pdb=" O   ILE d  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL d  80 " --> pdb=" O   VAL d  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER d  20 " --> pdb=" O   VAL d  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE d  82 " --> pdb=" O   SER d  20 " (cutoff:3.500A)
      removed outlier: 6.836A  pdb=" N   ILE d  48 " --> pdb=" O   GLU x   2 " (cutoff:3.500A)
      removed outlier: 7.997A  pdb=" N   TYR x   4 " --> pdb=" O   ILE d  48 " (cutoff:3.500A)
      removed outlier: 6.521A  pdb=" N   LEU d  50 " --> pdb=" O   TYR x   4 " (cutoff:3.500A)
    Processing sheet with id=AF7, first strand: chain 'e' and resid 111 through 118
      removed outlier: 3.764A  pdb=" N   GLY e  79 " --> pdb=" O   GLY e 114 " (cutoff:3.500A)
      removed outlier: 6.452A  pdb=" N   GLY e  16 " --> pdb=" O   ILE e  76 " (cutoff:3.500A)
      removed outlier: 7.567A  pdb=" N   ILE e  78 " --> pdb=" O   GLY e  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL e  18 " --> pdb=" O   ILE e  78 " (cutoff:3.500A)
      removed outlier: 8.297A  pdb=" N   VAL e  80 " --> pdb=" O   VAL e  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER e  20 " --> pdb=" O   VAL e  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE e  82 " --> pdb=" O   SER e  20 " (cutoff:3.500A)
      removed outlier: 6.799A  pdb=" N   ILE e  48 " --> pdb=" O   GLU v   2 " (cutoff:3.500A)
      removed outlier: 7.963A  pdb=" N   TYR v   4 " --> pdb=" O   ILE e  48 " (cutoff:3.500A)
      removed outlier: 6.495A  pdb=" N   LEU e  50 " --> pdb=" O   TYR v   4 " (cutoff:3.500A)
    Processing sheet with id=AF8, first strand: chain 'f' and resid 111 through 118
      removed outlier: 3.763A  pdb=" N   GLY f  79 " --> pdb=" O   GLY f 114 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY f  16 " --> pdb=" O   ILE f  76 " (cutoff:3.500A)
      removed outlier: 7.567A  pdb=" N   ILE f  78 " --> pdb=" O   GLY f  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL f  18 " --> pdb=" O   ILE f  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL f  80 " --> pdb=" O   VAL f  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER f  20 " --> pdb=" O   VAL f  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE f  82 " --> pdb=" O   SER f  20 " (cutoff:3.500A)
    Processing sheet with id=AF9, first strand: chain 'g' and resid 2 through 4
      removed outlier: 6.275A  pdb=" N   GLU g   2 " --> pdb=" O   LEU x  50 " (cutoff:3.500A)
      removed outlier: 7.684A  pdb=" N   ARG x  52 " --> pdb=" O   GLU g   2 " (cutoff:3.500A)
      removed outlier: 6.893A  pdb=" N   TYR g   4 " --> pdb=" O   ARG x  52 " (cutoff:3.500A)
      removed outlier: 6.452A  pdb=" N   GLY x  16 " --> pdb=" O   ILE x  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE x  78 " --> pdb=" O   GLY x  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL x  18 " --> pdb=" O   ILE x  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL x  80 " --> pdb=" O   VAL x  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER x  20 " --> pdb=" O   VAL x  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE x  82 " --> pdb=" O   SER x  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY x  79 " --> pdb=" O   GLY x 114 " (cutoff:3.500A)
    Processing sheet with id=AG1, first strand: chain 'i' and resid 2 through 4
      removed outlier: 6.294A  pdb=" N   GLU i   2 " --> pdb=" O   LEU v  50 " (cutoff:3.500A)
      removed outlier: 7.660A  pdb=" N   ARG v  52 " --> pdb=" O   GLU i   2 " (cutoff:3.500A)
      removed outlier: 6.876A  pdb=" N   TYR i   4 " --> pdb=" O   ARG v  52 " (cutoff:3.500A)
      removed outlier: 6.452A  pdb=" N   GLY v  16 " --> pdb=" O   ILE v  76 " (cutoff:3.500A)
      removed outlier: 7.567A  pdb=" N   ILE v  78 " --> pdb=" O   GLY v  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL v  18 " --> pdb=" O   ILE v  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL v  80 " --> pdb=" O   VAL v  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER v  20 " --> pdb=" O   VAL v  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE v  82 " --> pdb=" O   SER v  20 " (cutoff:3.500A)
      removed outlier: 3.765A  pdb=" N   GLY v  79 " --> pdb=" O   GLY v 114 " (cutoff:3.500A)
    Processing sheet with id=AG2, first strand: chain 'k' and resid 2 through 4
      removed outlier: 6.452A  pdb=" N   GLY n  16 " --> pdb=" O   ILE n  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE n  78 " --> pdb=" O   GLY n  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL n  18 " --> pdb=" O   ILE n  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL n  80 " --> pdb=" O   VAL n  18 " (cutoff:3.500A)
      removed outlier: 7.898A  pdb=" N   SER n  20 " --> pdb=" O   VAL n  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE n  82 " --> pdb=" O   SER n  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY n  79 " --> pdb=" O   GLY n 114 " (cutoff:3.500A)
    Processing sheet with id=AG3, first strand: chain 'l' and resid 2 through 4
      removed outlier: 6.454A  pdb=" N   GLY w  16 " --> pdb=" O   ILE w  76 " (cutoff:3.500A)
      removed outlier: 7.567A  pdb=" N   ILE w  78 " --> pdb=" O   GLY w  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL w  18 " --> pdb=" O   ILE w  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL w  80 " --> pdb=" O   VAL w  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER w  20 " --> pdb=" O   VAL w  80 " (cutoff:3.500A)
      removed outlier: 11.921A  pdb=" N   ILE w  82 " --> pdb=" O   SER w  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY w  79 " --> pdb=" O   GLY w 114 " (cutoff:3.500A)
    Processing sheet with id=AG4, first strand: chain 'n' and resid 2 through 4
      removed outlier: 6.274A  pdb=" N   GLU n   2 " --> pdb=" O   LEU o  50 " (cutoff:3.500A)
      removed outlier: 7.694A  pdb=" N   ARG o  52 " --> pdb=" O   GLU n   2 " (cutoff:3.500A)
      removed outlier: 6.903A  pdb=" N   TYR n   4 " --> pdb=" O   ARG o  52 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY o  16 " --> pdb=" O   ILE o  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE o  78 " --> pdb=" O   GLY o  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL o  18 " --> pdb=" O   ILE o  78 " (cutoff:3.500A)
      removed outlier: 8.296A  pdb=" N   VAL o  80 " --> pdb=" O   VAL o  18 " (cutoff:3.500A)
      removed outlier: 7.898A  pdb=" N   SER o  20 " --> pdb=" O   VAL o  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE o  82 " --> pdb=" O   SER o  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY o  79 " --> pdb=" O   GLY o 114 " (cutoff:3.500A)
    Processing sheet with id=AG5, first strand: chain 'p' and resid 2 through 4
      removed outlier: 6.237A  pdb=" N   GLU p   2 " --> pdb=" O   LEU u  50 " (cutoff:3.500A)
      removed outlier: 7.609A  pdb=" N   ARG u  52 " --> pdb=" O   GLU p   2 " (cutoff:3.500A)
      removed outlier: 6.821A  pdb=" N   TYR p   4 " --> pdb=" O   ARG u  52 " (cutoff:3.500A)
      removed outlier: 6.453A  pdb=" N   GLY u  16 " --> pdb=" O   ILE u  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE u  78 " --> pdb=" O   GLY u  16 " (cutoff:3.500A)
      removed outlier: 6.051A  pdb=" N   VAL u  18 " --> pdb=" O   ILE u  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL u  80 " --> pdb=" O   VAL u  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER u  20 " --> pdb=" O   VAL u  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE u  82 " --> pdb=" O   SER u  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY u  79 " --> pdb=" O   GLY u 114 " (cutoff:3.500A)
    Processing sheet with id=AG6, first strand: chain 'r' and resid 2 through 4
      removed outlier: 6.276A  pdb=" N   GLU r   2 " --> pdb=" O   LEU t  50 " (cutoff:3.500A)
      removed outlier: 7.673A  pdb=" N   ARG t  52 " --> pdb=" O   GLU r   2 " (cutoff:3.500A)
      removed outlier: 6.874A  pdb=" N   TYR r   4 " --> pdb=" O   ARG t  52 " (cutoff:3.500A)
      removed outlier: 6.452A  pdb=" N   GLY t  16 " --> pdb=" O   ILE t  76 " (cutoff:3.500A)
      removed outlier: 7.566A  pdb=" N   ILE t  78 " --> pdb=" O   GLY t  16 " (cutoff:3.500A)
      removed outlier: 6.050A  pdb=" N   VAL t  18 " --> pdb=" O   ILE t  78 " (cutoff:3.500A)
      removed outlier: 8.295A  pdb=" N   VAL t  80 " --> pdb=" O   VAL t  18 " (cutoff:3.500A)
      removed outlier: 7.899A  pdb=" N   SER t  20 " --> pdb=" O   VAL t  80 " (cutoff:3.500A)
      removed outlier: 11.922A  pdb=" N   ILE t  82 " --> pdb=" O   SER t  20 " (cutoff:3.500A)
      removed outlier: 3.764A  pdb=" N   GLY t  79 " --> pdb=" O   GLY t 114 " (cutoff:3.500A)

    4130 hydrogen bonds defined for protein.
    12312 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: 27.96

  Time building geometry restraints manager: 22.51 seconds

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

  Histogram of bond lengths:
        1.22 -     1.33: 23698
        1.33 -     1.45: 6809
        1.45 -     1.57: 40833
        1.57 -     1.68: 0
        1.68 -     1.80: 300
  Bond restraints: 71640
  Sorted by residual:
  bond pdb=" CB  ASN 8 134 "
       pdb=" CG  ASN 8 134 "
    ideal  model  delta    sigma   weight residual
    1.516  1.478  0.038 2.50e-02 1.60e+03 2.26e+00
  bond pdb=" CB  ASN A 134 "
       pdb=" CG  ASN A 134 "
    ideal  model  delta    sigma   weight residual
    1.516  1.478  0.038 2.50e-02 1.60e+03 2.26e+00
  bond pdb=" CB  ASN 0 134 "
       pdb=" CG  ASN 0 134 "
    ideal  model  delta    sigma   weight residual
    1.516  1.479  0.037 2.50e-02 1.60e+03 2.25e+00
  bond pdb=" CB  ASN 6 134 "
       pdb=" CG  ASN 6 134 "
    ideal  model  delta    sigma   weight residual
    1.516  1.479  0.037 2.50e-02 1.60e+03 2.24e+00
  bond pdb=" CB  ASN p 134 "
       pdb=" CG  ASN p 134 "
    ideal  model  delta    sigma   weight residual
    1.516  1.479  0.037 2.50e-02 1.60e+03 2.22e+00
  ... (remaining 71635 not shown)

  Histogram of bond angle deviations from ideal:
      100.12 -   106.90: 1560
      106.90 -   113.67: 42328
      113.67 -   120.44: 27312
      120.44 -   127.21: 24860
      127.21 -   133.98: 720
  Bond angle restraints: 96780
  Sorted by residual:
  angle pdb=" C   THR D 130 "
        pdb=" N   LYS D 131 "
        pdb=" CA  LYS D 131 "
      ideal   model   delta    sigma   weight residual
     121.54  128.23   -6.69 1.91e+00 2.74e-01 1.23e+01
  angle pdb=" C   THR m 130 "
        pdb=" N   LYS m 131 "
        pdb=" CA  LYS m 131 "
      ideal   model   delta    sigma   weight residual
     121.54  128.22   -6.68 1.91e+00 2.74e-01 1.22e+01
  angle pdb=" C   THR C 130 "
        pdb=" N   LYS C 131 "
        pdb=" CA  LYS C 131 "
      ideal   model   delta    sigma   weight residual
     121.54  128.22   -6.68 1.91e+00 2.74e-01 1.22e+01
  angle pdb=" C   THR b 130 "
        pdb=" N   LYS b 131 "
        pdb=" CA  LYS b 131 "
      ideal   model   delta    sigma   weight residual
     121.54  128.21   -6.67 1.91e+00 2.74e-01 1.22e+01
  angle pdb=" C   THR 8 130 "
        pdb=" N   LYS 8 131 "
        pdb=" CA  LYS 8 131 "
      ideal   model   delta    sigma   weight residual
     121.54  128.21   -6.67 1.91e+00 2.74e-01 1.22e+01
  ... (remaining 96775 not shown)

  Histogram of dihedral angle deviations from ideal:
        0.00 -    11.30: 36840
       11.30 -    22.61: 3840
       22.61 -    33.91: 1860
       33.91 -    45.22: 240
       45.22 -    56.52: 180
  Dihedral angle restraints: 42960
    sinusoidal: 16980
      harmonic: 25980
  Sorted by residual:
  dihedral pdb=" CA  THR J 130 "
           pdb=" C   THR J 130 "
           pdb=" N   LYS J 131 "
           pdb=" CA  LYS J 131 "
      ideal   model   delta  harmonic     sigma   weight residual
    -180.00 -160.38  -19.62     0      5.00e+00 4.00e-02 1.54e+01
  dihedral pdb=" CA  THR C 130 "
           pdb=" C   THR C 130 "
           pdb=" N   LYS C 131 "
           pdb=" CA  LYS C 131 "
      ideal   model   delta  harmonic     sigma   weight residual
    -180.00 -160.41  -19.59     0      5.00e+00 4.00e-02 1.53e+01
  dihedral pdb=" CA  THR T 130 "
           pdb=" C   THR T 130 "
           pdb=" N   LYS T 131 "
           pdb=" CA  LYS T 131 "
      ideal   model   delta  harmonic     sigma   weight residual
    -180.00 -160.42  -19.58     0      5.00e+00 4.00e-02 1.53e+01
  ... (remaining 42957 not shown)

  Histogram of chiral volume deviations from ideal:
       0.000 -    0.028: 5947
       0.028 -    0.056: 2757
       0.056 -    0.084: 1060
       0.084 -    0.113: 1189
       0.113 -    0.141: 267
  Chirality restraints: 11220
  Sorted by residual:
  chirality pdb=" CA  ASN x 134 "
            pdb=" N   ASN x 134 "
            pdb=" C   ASN x 134 "
            pdb=" CB  ASN x 134 "
    both_signs  ideal   model   delta    sigma   weight residual
      False      2.51    2.37    0.14 2.00e-01 2.50e+01 4.95e-01
  chirality pdb=" CA  ASN K 134 "
            pdb=" N   ASN K 134 "
            pdb=" C   ASN K 134 "
            pdb=" CB  ASN K 134 "
    both_signs  ideal   model   delta    sigma   weight residual
      False      2.51    2.37    0.14 2.00e-01 2.50e+01 4.89e-01
  chirality pdb=" CA  ASN F 134 "
            pdb=" N   ASN F 134 "
            pdb=" C   ASN F 134 "
            pdb=" CB  ASN F 134 "
    both_signs  ideal   model   delta    sigma   weight residual
      False      2.51    2.37    0.14 2.00e-01 2.50e+01 4.89e-01
  ... (remaining 11217 not shown)

  Planarity restraints: 12480
  Sorted by residual:
                                 delta    sigma   weight rms_deltas residual
  plane pdb=" C   THR s  86 "    0.029 5.00e-02 4.00e+02   4.37e-02 3.05e+00
        pdb=" N   PRO s  87 "   -0.076 5.00e-02 4.00e+02
        pdb=" CA  PRO s  87 "    0.023 5.00e-02 4.00e+02
        pdb=" CD  PRO s  87 "    0.024 5.00e-02 4.00e+02
                                 delta    sigma   weight rms_deltas residual
  plane pdb=" C   THR B  86 "   -0.029 5.00e-02 4.00e+02   4.37e-02 3.05e+00
        pdb=" N   PRO B  87 "    0.076 5.00e-02 4.00e+02
        pdb=" CA  PRO B  87 "   -0.023 5.00e-02 4.00e+02
        pdb=" CD  PRO B  87 "   -0.024 5.00e-02 4.00e+02
                                 delta    sigma   weight rms_deltas residual
  plane pdb=" C   THR Q  86 "    0.029 5.00e-02 4.00e+02   4.36e-02 3.04e+00
        pdb=" N   PRO Q  87 "   -0.075 5.00e-02 4.00e+02
        pdb=" CA  PRO Q  87 "    0.023 5.00e-02 4.00e+02
        pdb=" CD  PRO Q  87 "    0.024 5.00e-02 4.00e+02
  ... (remaining 12477 not shown)

  Histogram of nonbonded interaction distances:
        2.12 -     2.68: 1290
        2.68 -     3.23: 67363
        3.23 -     3.79: 112797
        3.79 -     4.34: 160119
        4.34 -     4.90: 266692
  Nonbonded interactions: 608261
  Sorted by model distance:
  nonbonded pdb=" O   ILE L 125 "
            pdb=" OG1 THR L 130 "
     model   vdw
     2.123 2.440
  nonbonded pdb=" O   ILE a 125 "
            pdb=" OG1 THR a 130 "
     model   vdw
     2.123 2.440
  nonbonded pdb=" O   ILE Q 125 "
            pdb=" OG1 THR Q 130 "
     model   vdw
     2.123 2.440
  nonbonded pdb=" O   ILE v 125 "
            pdb=" OG1 THR v 130 "
     model   vdw
     2.123 2.440
  nonbonded pdb=" O   ILE 8 125 "
            pdb=" OG1 THR 8 130 "
     model   vdw
     2.123 2.440
  ... (remaining 608256 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:             1.330
  Set stop_for_unknowns flag:              0.000
  Assert model is a single copy model:     0.000
  Assert all atoms have isotropic ADPs:    0.000
  Construct map_model_manager:             0.050
  Extract box with map and model:          7.970
  Check model and map are aligned:         0.840
  Set scattering table:                    0.510
  Process input model:                     146.990
  Find NCS groups from input model:        3.940
  Set up NCS constraints:                  0.960
  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:             0.010
  Load rotamer database and sin/cos tables:9.640
  Set ADP refinement strategy:             0.000
  Make a string to write initial .geo file:0.000
  Internal consistency checks:             0.000
  Total:  172.250
-------------------------------------------------------------------------------
Set refinement monitor
**********************
-------------------------------------------------------------------------------
Setup refinement engine
***********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8668
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      :  0.007   0.038  71640  Z= 0.470
  Angle     :  0.786   9.604  96780  Z= 0.476
  Chirality :  0.049   0.141  11220
  Planarity :  0.005   0.044  12480
  Dihedral  : 12.023  56.521  26280
  Min Nonbonded Distance : 2.123

Molprobity Statistics.
  All-atom Clashscore : 4.52
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  3.96 %
    Favored  : 96.04 %
  Rotamer:
    Outliers :  0.00 %
    Allowed  :  0.00 %
    Favored  : 100.00 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  2.44 (0.10), residues: 9120
  helix:  2.21 (0.09), residues: 4320
  sheet:  1.63 (0.12), residues: 2220
  loop :  0.68 (0.14), residues: 2580

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.016   0.003   TRP C 137 
 HIS   0.005   0.002   HIS c  41 
 PHE   0.015   0.002   PHE s 150 
 TYR   0.007   0.001   TYR D  91 
 ARG   0.008   0.001   ARG t  68 

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

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

  18240 Ramachandran restraints generated.
    9120 Oldfield, 0 Emsley, 9120 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  18240 Ramachandran restraints generated.
    9120 Oldfield, 0 Emsley, 9120 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  1927 residues out of total 7200 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 0
    poor density    : 1927
  time to evaluate  : 6.451 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: C   47 ASP cc_start: 0.8553 (m-30) cc_final: 0.8314 (m-30)
REVERT: C   98 LYS cc_start: 0.9019 (ttpt) cc_final: 0.8644 (ttpt)
REVERT: D   73 ASP cc_start: 0.8936 (m-30) cc_final: 0.8679 (m-30)
REVERT: E   98 LYS cc_start: 0.8957 (ttpt) cc_final: 0.8580 (ttpt)
REVERT: F   98 LYS cc_start: 0.8742 (ttpt) cc_final: 0.8308 (ttpt)
REVERT: F  102 ASN cc_start: 0.7924 (m-40) cc_final: 0.7687 (m-40)
REVERT: G   47 ASP cc_start: 0.8473 (m-30) cc_final: 0.8063 (m-30)
REVERT: G   98 LYS cc_start: 0.9005 (ttpt) cc_final: 0.8666 (ttpt)
REVERT: H   47 ASP cc_start: 0.8430 (m-30) cc_final: 0.8180 (m-30)
REVERT: H   94 SER cc_start: 0.8803 (m) cc_final: 0.8595 (m)
REVERT: I   94 SER cc_start: 0.8678 (m) cc_final: 0.8476 (m)
REVERT: I   98 LYS cc_start: 0.8952 (ttpt) cc_final: 0.8676 (ttpt)
REVERT: K  108 ARG cc_start: 0.8516 (mtp180) cc_final: 0.7538 (mtp180)
REVERT: L   98 LYS cc_start: 0.9037 (ttpt) cc_final: 0.8507 (ttpt)
REVERT: M   28 ASP cc_start: 0.8331 (m-30) cc_final: 0.7951 (m-30)
REVERT: M   94 SER cc_start: 0.8825 (m) cc_final: 0.8531 (m)
REVERT: M  106 GLU cc_start: 0.8037 (tp30) cc_final: 0.7675 (tp30)
REVERT: N   94 SER cc_start: 0.8774 (m) cc_final: 0.8559 (m)
REVERT: N   98 LYS cc_start: 0.9065 (ttpt) cc_final: 0.8530 (ttpt)
REVERT: O   14 ARG cc_start: 0.8446 (mpp80) cc_final: 0.8229 (mpp80)
REVERT: P   56 SER cc_start: 0.9060 (m) cc_final: 0.8817 (m)
REVERT: P  106 GLU cc_start: 0.7879 (tp30) cc_final: 0.7623 (tp30)
REVERT: P  109 LYS cc_start: 0.9020 (ttmm) cc_final: 0.8809 (ttmt)
REVERT: R  102 ASN cc_start: 0.8191 (m-40) cc_final: 0.7859 (m-40)
REVERT: S   14 ARG cc_start: 0.8395 (mpp80) cc_final: 0.8119 (mpp80)
REVERT: T   14 ARG cc_start: 0.8345 (mpp80) cc_final: 0.8049 (mpp80)
REVERT: T   47 ASP cc_start: 0.8505 (m-30) cc_final: 0.8143 (m-30)
REVERT: T   90 ASP cc_start: 0.8602 (m-30) cc_final: 0.8374 (m-30)
REVERT: W   14 ARG cc_start: 0.8242 (mpp80) cc_final: 0.7993 (mpp80)
REVERT: W   47 ASP cc_start: 0.8462 (m-30) cc_final: 0.8255 (m-30)
REVERT: X   94 SER cc_start: 0.8829 (m) cc_final: 0.8624 (m)
REVERT: Y   98 LYS cc_start: 0.9026 (ttpt) cc_final: 0.8733 (ttpt)
REVERT: Z   91 TYR cc_start: 0.9334 (m-80) cc_final: 0.9034 (m-80)
REVERT: Z   98 LYS cc_start: 0.8791 (ttpt) cc_final: 0.8546 (ttpt)
REVERT: 0   28 ASP cc_start: 0.8403 (m-30) cc_final: 0.8159 (m-30)
REVERT: 0   98 LYS cc_start: 0.9054 (ttpt) cc_final: 0.8730 (ttpt)
REVERT: 1   14 ARG cc_start: 0.8377 (mpp80) cc_final: 0.8137 (mpp80)
REVERT: 1   47 ASP cc_start: 0.8390 (m-30) cc_final: 0.8039 (m-30)
REVERT: 1  102 ASN cc_start: 0.8168 (m-40) cc_final: 0.7873 (m-40)
REVERT: 2   90 ASP cc_start: 0.8572 (m-30) cc_final: 0.8347 (m-30)
REVERT: 2   98 LYS cc_start: 0.8935 (ttpt) cc_final: 0.8331 (ttpt)
REVERT: 4   98 LYS cc_start: 0.8933 (ttpt) cc_final: 0.8461 (ttpt)
REVERT: 5   14 ARG cc_start: 0.8295 (mpp80) cc_final: 0.7892 (mpp80)
REVERT: 5   47 ASP cc_start: 0.8427 (m-30) cc_final: 0.8203 (m-30)
REVERT: 5   98 LYS cc_start: 0.8864 (ttpt) cc_final: 0.8531 (ttpp)
REVERT: 6   56 SER cc_start: 0.9086 (m) cc_final: 0.8869 (m)
REVERT: 6  106 GLU cc_start: 0.7949 (tp30) cc_final: 0.7688 (OUTLIER)
REVERT: 7   98 LYS cc_start: 0.9027 (ttpt) cc_final: 0.8587 (ttpt)
REVERT: 7  106 GLU cc_start: 0.8027 (tp30) cc_final: 0.7800 (tp30)
REVERT: 8   91 TYR cc_start: 0.9365 (m-80) cc_final: 0.9114 (m-80)
REVERT: 8   98 LYS cc_start: 0.8888 (ttpt) cc_final: 0.8651 (ttpt)
REVERT: 9   73 ASP cc_start: 0.9000 (m-30) cc_final: 0.8799 (m-30)
REVERT: 9   90 ASP cc_start: 0.8650 (m-30) cc_final: 0.8435 (m-30)
REVERT: 9   98 LYS cc_start: 0.9118 (ttpt) cc_final: 0.8836 (ttpt)
REVERT: 9  102 ASN cc_start: 0.8157 (m-40) cc_final: 0.7886 (m-40)
REVERT: a   98 LYS cc_start: 0.9087 (ttpt) cc_final: 0.8692 (ttpt)
REVERT: b  108 ARG cc_start: 0.8606 (mtp180) cc_final: 0.7757 (mtp180)
REVERT: c   14 ARG cc_start: 0.8408 (mpp80) cc_final: 0.8145 (mpp80)
REVERT: c   98 LYS cc_start: 0.8841 (ttpt) cc_final: 0.8209 (ttpt)
REVERT: c  102 ASN cc_start: 0.7994 (m-40) cc_final: 0.7706 (m-40)
REVERT: d   94 SER cc_start: 0.8716 (m) cc_final: 0.8425 (m)
REVERT: d  106 GLU cc_start: 0.7989 (tp30) cc_final: 0.7740 (tp30)
REVERT: f   94 SER cc_start: 0.8737 (m) cc_final: 0.8524 (m)
REVERT: h   98 LYS cc_start: 0.9032 (ttpt) cc_final: 0.8657 (ttpt)
REVERT: i   98 LYS cc_start: 0.9017 (ttpt) cc_final: 0.8524 (ttpt)
REVERT: j   14 ARG cc_start: 0.8351 (mpp80) cc_final: 0.8039 (mpp80)
REVERT: j   47 ASP cc_start: 0.8527 (m-30) cc_final: 0.8165 (m-30)
REVERT: l   47 ASP cc_start: 0.8485 (m-30) cc_final: 0.7962 (m-30)
REVERT: l   98 LYS cc_start: 0.9054 (ttpt) cc_final: 0.8755 (ttpt)
REVERT: m  106 GLU cc_start: 0.7988 (tp30) cc_final: 0.7690 (tp30)
REVERT: n   94 SER cc_start: 0.8898 (m) cc_final: 0.8636 (m)
REVERT: n  102 ASN cc_start: 0.8109 (m-40) cc_final: 0.7904 (m-40)
REVERT: o   98 LYS cc_start: 0.9020 (ttpt) cc_final: 0.8191 (ttpt)
REVERT: q   14 ARG cc_start: 0.8459 (mpp80) cc_final: 0.8197 (mpp80)
REVERT: r   36 ASP cc_start: 0.8995 (t70) cc_final: 0.8769 (t70)
REVERT: r   47 ASP cc_start: 0.8438 (m-30) cc_final: 0.8097 (m-30)
REVERT: r   98 LYS cc_start: 0.9039 (ttpt) cc_final: 0.8495 (ttpt)
REVERT: r  102 ASN cc_start: 0.8040 (m-40) cc_final: 0.7839 (m-40)
REVERT: s   91 TYR cc_start: 0.9045 (m-80) cc_final: 0.8747 (m-80)
REVERT: s   98 LYS cc_start: 0.8852 (ttpt) cc_final: 0.8328 (tmmt)
REVERT: t   98 LYS cc_start: 0.9055 (ttpt) cc_final: 0.8456 (ttpt)
REVERT: v   47 ASP cc_start: 0.8622 (m-30) cc_final: 0.8381 (m-30)
REVERT: v   98 LYS cc_start: 0.9053 (ttpt) cc_final: 0.8823 (ttpt)
REVERT: x   98 LYS cc_start: 0.8822 (ttpt) cc_final: 0.8596 (ttpp)
  outliers start: 0
  outliers final: 5
  residues processed: 1927
  average time/residue: 1.7282
  time to fit residues: 4208.1807
Evaluate side-chains
  1444 residues out of total 7200 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 4
    poor density    : 1440
  time to evaluate  : 6.335 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain I residue   71 ASP
Chi-restraints excluded: chain Q residue   71 ASP
Chi-restraints excluded: chain c residue   71 ASP
Chi-restraints excluded: chain j residue   71 ASP
Rotamers are restrained with sigma=5.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 900
   random chunks:
   chunk 759 optimal weight:    2.9990
   chunk 682 optimal weight:    8.9990
   chunk 378 optimal weight:    5.9990
   chunk 233 optimal weight:    6.9990
   chunk 460 optimal weight:    0.9980
   chunk 364 optimal weight:   10.0000
   chunk 705 optimal weight:    9.9990
   chunk 272 optimal weight:   10.0000
   chunk 428 optimal weight:    0.7980
   chunk 525 optimal weight:    7.9990
   chunk 817 optimal weight:    3.9990
   overall best weight:    2.9586

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

Flipped N/Q/H residues before XYZ refinement:
S  24 HIS
V  24 HIS
V 102 ASN
X  24 HIS
7  24 HIS
h 102 ASN
o  24 HIS
t  24 HIS

Total number of N/Q/H flips: 8

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8685
moved from start:          0.1701

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.039  71640  Z= 0.291
  Angle     :  0.591   7.084  96780  Z= 0.324
  Chirality :  0.048   0.144  11220
  Planarity :  0.005   0.046  12480
  Dihedral  :  4.656  60.643   9968
  Min Nonbonded Distance : 2.101

Molprobity Statistics.
  All-atom Clashscore : 4.92
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  3.22 %
    Favored  : 96.78 %
  Rotamer:
    Outliers :  3.40 %
    Allowed  :  9.54 %
    Favored  : 87.06 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  1.87 (0.10), residues: 9120
  helix:  1.68 (0.08), residues: 4680
  sheet:  1.24 (0.11), residues: 2220
  loop :  0.44 (0.16), residues: 2220

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.010   0.002   TRP m 137 
 HIS   0.013   0.003   HIS U  24 
 PHE   0.014   0.002   PHE s 113 
 TYR   0.011   0.001   TYR B  91 
 ARG   0.007   0.001   ARG s 154 

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

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

  18240 Ramachandran restraints generated.
    9120 Oldfield, 0 Emsley, 9120 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  18240 Ramachandran restraints generated.
    9120 Oldfield, 0 Emsley, 9120 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  1812 residues out of total 7200 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 245
    poor density    : 1567
  time to evaluate  : 6.442 
Fit side-chains
   revert: symmetry clash
REVERT: A    7 LYS cc_start: 0.8520 (OUTLIER) cc_final: 0.7760 (mmpt)
REVERT: C   47 ASP cc_start: 0.8531 (m-30) cc_final: 0.8221 (m-30)
REVERT: D   73 ASP cc_start: 0.8930 (m-30) cc_final: 0.8642 (m-30)
REVERT: F   98 LYS cc_start: 0.8967 (ttpt) cc_final: 0.8730 (ttpt)
REVERT: F  146 MET cc_start: 0.9095 (mmm) cc_final: 0.8870 (mmm)
REVERT: G   47 ASP cc_start: 0.8462 (m-30) cc_final: 0.8203 (m-30)
REVERT: H   47 ASP cc_start: 0.8451 (m-30) cc_final: 0.8189 (m-30)
REVERT: H  122 GLU cc_start: 0.7740 (tm-30) cc_final: 0.7517 (tm-30)
REVERT: I    7 LYS cc_start: 0.8618 (OUTLIER) cc_final: 0.8383 (mmpt)
REVERT: I   45 GLU cc_start: 0.7620 (pm20) cc_final: 0.7417 (pm20)
REVERT: I  108 ARG cc_start: 0.8791 (OUTLIER) cc_final: 0.8435 (mtm180)
REVERT: I  122 GLU cc_start: 0.7792 (tm-30) cc_final: 0.7555 (tm-30)
REVERT: J  122 GLU cc_start: 0.7652 (tm-30) cc_final: 0.7430 (tm-30)
REVERT: L    7 LYS cc_start: 0.8578 (OUTLIER) cc_final: 0.8040 (mmpt)
REVERT: L   98 LYS cc_start: 0.8958 (ttpt) cc_final: 0.8659 (ttpt)
REVERT: M   44 ARG cc_start: 0.8367 (mtm110) cc_final: 0.8100 (mtp85)
REVERT: M   94 SER cc_start: 0.8768 (m) cc_final: 0.8541 (m)
REVERT: M  106 GLU cc_start: 0.8014 (tp30) cc_final: 0.7669 (tp30)
REVERT: N   98 LYS cc_start: 0.8978 (ttpt) cc_final: 0.8252 (tmmt)
REVERT: O  109 LYS cc_start: 0.9080 (OUTLIER) cc_final: 0.8737 (ttpt)
REVERT: O  122 GLU cc_start: 0.7694 (tm-30) cc_final: 0.7493 (tm-30)
REVERT: P  106 GLU cc_start: 0.7950 (tp30) cc_final: 0.7697 (tp30)
REVERT: Q   44 ARG cc_start: 0.8430 (mtp180) cc_final: 0.8180 (mtp180)
REVERT: Q  108 ARG cc_start: 0.8953 (mmm-85) cc_final: 0.8728 (mmm-85)
REVERT: Q  146 MET cc_start: 0.9154 (mmm) cc_final: 0.8807 (mmm)
REVERT: R   98 LYS cc_start: 0.9014 (ttpp) cc_final: 0.8798 (ttpp)
REVERT: R  102 ASN cc_start: 0.8120 (m-40) cc_final: 0.7824 (m-40)
REVERT: S    7 LYS cc_start: 0.8596 (OUTLIER) cc_final: 0.7886 (mmpt)
REVERT: S   47 ASP cc_start: 0.8495 (m-30) cc_final: 0.8288 (m-30)
REVERT: T  122 GLU cc_start: 0.7721 (tm-30) cc_final: 0.7484 (tm-30)
REVERT: U  122 GLU cc_start: 0.7823 (tm-30) cc_final: 0.7607 (tm-30)
REVERT: V  122 GLU cc_start: 0.7762 (tm-30) cc_final: 0.7495 (tm-30)
REVERT: W   14 ARG cc_start: 0.8402 (mpp80) cc_final: 0.8073 (mpp80)
REVERT: W   47 ASP cc_start: 0.8476 (m-30) cc_final: 0.7994 (m-30)
REVERT: W  122 GLU cc_start: 0.7617 (tm-30) cc_final: 0.7324 (tm-30)
REVERT: X   94 SER cc_start: 0.8813 (m) cc_final: 0.8589 (m)
REVERT: X   98 LYS cc_start: 0.8843 (ttpt) cc_final: 0.8516 (ttpt)
REVERT: Y   98 LYS cc_start: 0.8880 (ttpt) cc_final: 0.8336 (tmtt)
REVERT: Y  122 GLU cc_start: 0.7702 (tm-30) cc_final: 0.7442 (tm-30)
REVERT: 0  122 GLU cc_start: 0.7702 (tm-30) cc_final: 0.7466 (tm-30)
REVERT: 1   14 ARG cc_start: 0.8402 (mpp80) cc_final: 0.8100 (mpp80)
REVERT: 1   47 ASP cc_start: 0.8354 (m-30) cc_final: 0.8036 (m-30)
REVERT: 1  102 ASN cc_start: 0.8205 (m-40) cc_final: 0.7939 (m-40)
REVERT: 4    7 LYS cc_start: 0.8631 (OUTLIER) cc_final: 0.8318 (mmpt)
REVERT: 4  122 GLU cc_start: 0.7692 (tm-30) cc_final: 0.7466 (tm-30)
REVERT: 5   14 ARG cc_start: 0.8369 (mpp80) cc_final: 0.7955 (mpp80)
REVERT: 5   47 ASP cc_start: 0.8480 (m-30) cc_final: 0.8108 (m-30)
REVERT: 6    7 LYS cc_start: 0.8619 (OUTLIER) cc_final: 0.8129 (mmpt)
REVERT: 6  106 GLU cc_start: 0.7971 (tp30) cc_final: 0.7731 (OUTLIER)
REVERT: 7   98 LYS cc_start: 0.8800 (ttpt) cc_final: 0.8587 (ttpt)
REVERT: 9    7 LYS cc_start: 0.8666 (OUTLIER) cc_final: 0.8044 (mmpt)
REVERT: 9   73 ASP cc_start: 0.9014 (m-30) cc_final: 0.8769 (m-30)
REVERT: a   98 LYS cc_start: 0.8903 (ttpt) cc_final: 0.8672 (ttpt)
REVERT: c   44 ARG cc_start: 0.8318 (mtp180) cc_final: 0.8053 (mtp180)
REVERT: c   98 LYS cc_start: 0.8882 (ttpt) cc_final: 0.8665 (ttpt)
REVERT: c  146 MET cc_start: 0.9172 (mmm) cc_final: 0.8933 (mmm)
REVERT: d   94 SER cc_start: 0.8653 (m) cc_final: 0.8433 (m)
REVERT: d  106 GLU cc_start: 0.7991 (tp30) cc_final: 0.7728 (tp30)
REVERT: e  122 GLU cc_start: 0.7575 (tm-30) cc_final: 0.7349 (tm-30)
REVERT: h    7 LYS cc_start: 0.8501 (OUTLIER) cc_final: 0.7939 (mmpt)
REVERT: j   14 ARG cc_start: 0.8384 (mpp80) cc_final: 0.8100 (mpp80)
REVERT: j  122 GLU cc_start: 0.7762 (tm-30) cc_final: 0.7516 (tm-30)
REVERT: j  146 MET cc_start: 0.9138 (mmm) cc_final: 0.8806 (mmm)
REVERT: l    7 LYS cc_start: 0.8570 (OUTLIER) cc_final: 0.8176 (mmpt)
REVERT: l   47 ASP cc_start: 0.8512 (m-30) cc_final: 0.8151 (m-30)
REVERT: m  106 GLU cc_start: 0.7977 (tp30) cc_final: 0.7716 (tp30)
REVERT: m  109 LYS cc_start: 0.8851 (OUTLIER) cc_final: 0.8542 (ttpt)
REVERT: n   44 ARG cc_start: 0.8453 (mtp85) cc_final: 0.8210 (mtp85)
REVERT: n   98 LYS cc_start: 0.8930 (ttpt) cc_final: 0.8489 (tmmt)
REVERT: n  102 ASN cc_start: 0.8108 (m-40) cc_final: 0.7843 (m-40)
REVERT: o   98 LYS cc_start: 0.8896 (ttpt) cc_final: 0.8377 (ttpt)
REVERT: o  122 GLU cc_start: 0.7540 (tm-30) cc_final: 0.7300 (tm-30)
REVERT: p    7 LYS cc_start: 0.8682 (OUTLIER) cc_final: 0.8456 (mmpt)
REVERT: p  122 GLU cc_start: 0.7724 (tm-30) cc_final: 0.7459 (tm-30)
REVERT: p  134 ASN cc_start: 0.8498 (p0) cc_final: 0.8050 (p0)
REVERT: q    7 LYS cc_start: 0.8536 (OUTLIER) cc_final: 0.7824 (mmpt)
REVERT: q   47 ASP cc_start: 0.8495 (m-30) cc_final: 0.8280 (m-30)
REVERT: r   36 ASP cc_start: 0.9014 (t70) cc_final: 0.8760 (t70)
REVERT: r   47 ASP cc_start: 0.8423 (m-30) cc_final: 0.8185 (m-30)
REVERT: s   98 LYS cc_start: 0.9073 (ttpt) cc_final: 0.8591 (tmmt)
REVERT: s  122 GLU cc_start: 0.8034 (tm-30) cc_final: 0.7829 (tm-30)
REVERT: t   98 LYS cc_start: 0.9001 (ttpt) cc_final: 0.8754 (ttpt)
REVERT: u  134 ASN cc_start: 0.8676 (p0) cc_final: 0.8111 (p0)
REVERT: v   44 ARG cc_start: 0.8484 (mpp80) cc_final: 0.8263 (mtm110)
REVERT: v   47 ASP cc_start: 0.8615 (m-30) cc_final: 0.8367 (m-30)
REVERT: x    7 LYS cc_start: 0.8712 (OUTLIER) cc_final: 0.7819 (mmpt)
  outliers start: 245
  outliers final: 151
  residues processed: 1637
  average time/residue: 1.6385
  time to fit residues: 3436.8464
Evaluate side-chains
  1594 residues out of total 7200 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 165
    poor density    : 1429
  time to evaluate  : 6.323 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue    7 LYS
Chi-restraints excluded: chain A residue   24 HIS
Chi-restraints excluded: chain A residue   56 SER
Chi-restraints excluded: chain A residue  131 LYS
Chi-restraints excluded: chain B residue   24 HIS
Chi-restraints excluded: chain C residue   24 HIS
Chi-restraints excluded: chain C residue   94 SER
Chi-restraints excluded: chain C residue  131 LYS
Chi-restraints excluded: chain D residue   24 HIS
Chi-restraints excluded: chain D residue   56 SER
Chi-restraints excluded: chain D residue  131 LYS
Chi-restraints excluded: chain E residue   24 HIS
Chi-restraints excluded: chain E residue   56 SER
Chi-restraints excluded: chain F residue   11 GLU
Chi-restraints excluded: chain F residue   24 HIS
Chi-restraints excluded: chain F residue   71 ASP
Chi-restraints excluded: chain G residue   11 GLU
Chi-restraints excluded: chain G residue   24 HIS
Chi-restraints excluded: chain G residue   56 SER
Chi-restraints excluded: chain G residue  131 LYS
Chi-restraints excluded: chain H residue   24 HIS
Chi-restraints excluded: chain H residue  131 LYS
Chi-restraints excluded: chain I residue    7 LYS
Chi-restraints excluded: chain I residue   24 HIS
Chi-restraints excluded: chain I residue  108 ARG
Chi-restraints excluded: chain J residue   11 GLU
Chi-restraints excluded: chain J residue   24 HIS
Chi-restraints excluded: chain J residue   56 SER
Chi-restraints excluded: chain J residue  131 LYS
Chi-restraints excluded: chain K residue   24 HIS
Chi-restraints excluded: chain K residue   56 SER
Chi-restraints excluded: chain K residue   94 SER
Chi-restraints excluded: chain L residue    7 LYS
Chi-restraints excluded: chain L residue   24 HIS
Chi-restraints excluded: chain L residue   56 SER
Chi-restraints excluded: chain M residue   24 HIS
Chi-restraints excluded: chain M residue   56 SER
Chi-restraints excluded: chain N residue   24 HIS
Chi-restraints excluded: chain N residue  131 LYS
Chi-restraints excluded: chain O residue   24 HIS
Chi-restraints excluded: chain O residue   56 SER
Chi-restraints excluded: chain O residue  109 LYS
Chi-restraints excluded: chain P residue   24 HIS
Chi-restraints excluded: chain P residue   94 SER
Chi-restraints excluded: chain Q residue   24 HIS
Chi-restraints excluded: chain Q residue   71 ASP
Chi-restraints excluded: chain Q residue   94 SER
Chi-restraints excluded: chain R residue  131 LYS
Chi-restraints excluded: chain S residue    7 LYS
Chi-restraints excluded: chain S residue  131 LYS
Chi-restraints excluded: chain T residue   24 HIS
Chi-restraints excluded: chain T residue   71 ASP
Chi-restraints excluded: chain T residue  104 SER
Chi-restraints excluded: chain U residue   11 GLU
Chi-restraints excluded: chain U residue   56 SER
Chi-restraints excluded: chain U residue   71 ASP
Chi-restraints excluded: chain U residue  131 LYS
Chi-restraints excluded: chain V residue   24 HIS
Chi-restraints excluded: chain V residue   94 SER
Chi-restraints excluded: chain V residue  105 LEU
Chi-restraints excluded: chain W residue   24 HIS
Chi-restraints excluded: chain W residue  131 LYS
Chi-restraints excluded: chain X residue   56 SER
Chi-restraints excluded: chain Y residue   24 HIS
Chi-restraints excluded: chain Y residue   94 SER
Chi-restraints excluded: chain Y residue  131 LYS
Chi-restraints excluded: chain Z residue   11 GLU
Chi-restraints excluded: chain Z residue   24 HIS
Chi-restraints excluded: chain Z residue   56 SER
Chi-restraints excluded: chain Z residue  131 LYS
Chi-restraints excluded: chain 0 residue   24 HIS
Chi-restraints excluded: chain 0 residue   56 SER
Chi-restraints excluded: chain 1 residue   24 HIS
Chi-restraints excluded: chain 1 residue  131 LYS
Chi-restraints excluded: chain 2 residue   24 HIS
Chi-restraints excluded: chain 2 residue  131 LYS
Chi-restraints excluded: chain 3 residue   11 GLU
Chi-restraints excluded: chain 3 residue   24 HIS
Chi-restraints excluded: chain 3 residue   94 SER
Chi-restraints excluded: chain 4 residue    7 LYS
Chi-restraints excluded: chain 4 residue   24 HIS
Chi-restraints excluded: chain 4 residue   56 SER
Chi-restraints excluded: chain 4 residue   94 SER
Chi-restraints excluded: chain 5 residue   24 HIS
Chi-restraints excluded: chain 5 residue  131 LYS
Chi-restraints excluded: chain 6 residue    7 LYS
Chi-restraints excluded: chain 6 residue   24 HIS
Chi-restraints excluded: chain 6 residue   94 SER
Chi-restraints excluded: chain 7 residue   11 GLU
Chi-restraints excluded: chain 7 residue   24 HIS
Chi-restraints excluded: chain 7 residue   94 SER
Chi-restraints excluded: chain 8 residue   24 HIS
Chi-restraints excluded: chain 8 residue   56 SER
Chi-restraints excluded: chain 8 residue  131 LYS
Chi-restraints excluded: chain 9 residue    7 LYS
Chi-restraints excluded: chain 9 residue   24 HIS
Chi-restraints excluded: chain 9 residue   56 SER
Chi-restraints excluded: chain 9 residue   94 SER
Chi-restraints excluded: chain a residue   11 GLU
Chi-restraints excluded: chain a residue   24 HIS
Chi-restraints excluded: chain a residue   94 SER
Chi-restraints excluded: chain b residue   24 HIS
Chi-restraints excluded: chain b residue   56 SER
Chi-restraints excluded: chain b residue   94 SER
Chi-restraints excluded: chain c residue   24 HIS
Chi-restraints excluded: chain c residue   94 SER
Chi-restraints excluded: chain d residue   24 HIS
Chi-restraints excluded: chain d residue   56 SER
Chi-restraints excluded: chain e residue   24 HIS
Chi-restraints excluded: chain e residue  131 LYS
Chi-restraints excluded: chain f residue   24 HIS
Chi-restraints excluded: chain f residue  131 LYS
Chi-restraints excluded: chain g residue   24 HIS
Chi-restraints excluded: chain g residue   56 SER
Chi-restraints excluded: chain g residue  131 LYS
Chi-restraints excluded: chain h residue    7 LYS
Chi-restraints excluded: chain h residue   11 GLU
Chi-restraints excluded: chain h residue   24 HIS
Chi-restraints excluded: chain h residue   56 SER
Chi-restraints excluded: chain i residue   24 HIS
Chi-restraints excluded: chain i residue   56 SER
Chi-restraints excluded: chain j residue   24 HIS
Chi-restraints excluded: chain j residue   94 SER
Chi-restraints excluded: chain k residue  131 LYS
Chi-restraints excluded: chain l residue    7 LYS
Chi-restraints excluded: chain l residue   11 GLU
Chi-restraints excluded: chain l residue   24 HIS
Chi-restraints excluded: chain l residue   56 SER
Chi-restraints excluded: chain l residue  131 LYS
Chi-restraints excluded: chain m residue   11 GLU
Chi-restraints excluded: chain m residue   24 HIS
Chi-restraints excluded: chain m residue   56 SER
Chi-restraints excluded: chain m residue  109 LYS
Chi-restraints excluded: chain n residue   24 HIS
Chi-restraints excluded: chain n residue  131 LYS
Chi-restraints excluded: chain o residue   56 SER
Chi-restraints excluded: chain o residue   94 SER
Chi-restraints excluded: chain o residue  131 LYS
Chi-restraints excluded: chain p residue    7 LYS
Chi-restraints excluded: chain p residue   24 HIS
Chi-restraints excluded: chain p residue   71 ASP
Chi-restraints excluded: chain p residue   94 SER
Chi-restraints excluded: chain q residue    7 LYS
Chi-restraints excluded: chain q residue   11 GLU
Chi-restraints excluded: chain q residue   24 HIS
Chi-restraints excluded: chain q residue   56 SER
Chi-restraints excluded: chain r residue   24 HIS
Chi-restraints excluded: chain r residue   56 SER
Chi-restraints excluded: chain r residue  131 LYS
Chi-restraints excluded: chain s residue   11 GLU
Chi-restraints excluded: chain s residue   24 HIS
Chi-restraints excluded: chain s residue  131 LYS
Chi-restraints excluded: chain t residue   56 SER
Chi-restraints excluded: chain u residue   24 HIS
Chi-restraints excluded: chain u residue   71 ASP
Chi-restraints excluded: chain u residue  131 LYS
Chi-restraints excluded: chain v residue   24 HIS
Chi-restraints excluded: chain v residue   94 SER
Chi-restraints excluded: chain v residue  131 LYS
Chi-restraints excluded: chain w residue   24 HIS
Chi-restraints excluded: chain w residue   56 SER
Chi-restraints excluded: chain w residue  131 LYS
Chi-restraints excluded: chain x residue    7 LYS
Chi-restraints excluded: chain x residue   24 HIS
Chi-restraints excluded: chain x residue  131 LYS
Rotamers are restrained with sigma=4.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 900
   random chunks:
   chunk 454 optimal weight:    9.9990
   chunk 253 optimal weight:   10.0000
   chunk 680 optimal weight:    0.7980
   chunk 556 optimal weight:    6.9990
   chunk 225 optimal weight:   10.0000
   chunk 818 optimal weight:    3.9990
   chunk 884 optimal weight:    9.9990
   chunk 729 optimal weight:    8.9990
   chunk 811 optimal weight:    5.9990
   chunk 279 optimal weight:    6.9990
   chunk 656 optimal weight:    6.9990
   overall best weight:    4.9588

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

Flipped N/Q/H residues before XYZ refinement:
E  24 HIS
G  24 HIS
J  24 HIS
K  24 HIS
M  24 HIS
T  24 HIS
U  24 HIS
V  24 HIS
2  24 HIS
3  24 HIS
7  24 HIS
a  24 HIS
c  24 HIS
d  24 HIS
f  24 HIS
h  24 HIS
l  24 HIS
m  24 HIS
q  24 HIS
s 102 ASN
v  24 HIS

Total number of N/Q/H flips: 21

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8720
moved from start:          0.2085

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.006   0.038  71640  Z= 0.428
  Angle     :  0.603   7.095  96780  Z= 0.334
  Chirality :  0.049   0.137  11220
  Planarity :  0.005   0.051  12480
  Dihedral  :  4.398  21.067   9962
  Min Nonbonded Distance : 2.127

Molprobity Statistics.
  All-atom Clashscore : 6.00
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  3.88 %
    Favored  : 96.12 %
  Rotamer:
    Outliers :  4.58 %
    Allowed  : 10.74 %
    Favored  : 84.68 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  1.63 (0.10), residues: 9120
  helix:  1.60 (0.08), residues: 4800
  sheet:  1.00 (0.11), residues: 2220
  loop :  0.11 (0.16), residues: 2100

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.009   0.002   TRP w 137 
 HIS   0.013   0.003   HIS M  24 
 PHE   0.017   0.002   PHE D 113 
 TYR   0.014   0.002   TYR N  91 
 ARG   0.007   0.001   ARG Y 154 

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

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

  18240 Ramachandran restraints generated.
    9120 Oldfield, 0 Emsley, 9120 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  18240 Ramachandran restraints generated.
    9120 Oldfield, 0 Emsley, 9120 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  1824 residues out of total 7200 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 330
    poor density    : 1494
  time to evaluate  : 6.462 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
REVERT: A    1 MET cc_start: 0.8478 (ttp) cc_final: 0.8127 (ttm)
REVERT: B   44 ARG cc_start: 0.8514 (mtm110) cc_final: 0.8286 (mtm180)
REVERT: B   94 SER cc_start: 0.8958 (m) cc_final: 0.8688 (m)
REVERT: C   44 ARG cc_start: 0.8533 (mtm110) cc_final: 0.8239 (mtp85)
REVERT: C  109 LYS cc_start: 0.8981 (OUTLIER) cc_final: 0.8780 (ttpt)
REVERT: D    7 LYS cc_start: 0.8713 (OUTLIER) cc_final: 0.8124 (mmpt)
REVERT: D   73 ASP cc_start: 0.8939 (m-30) cc_final: 0.8651 (m-30)
REVERT: E   45 GLU cc_start: 0.7570 (pm20) cc_final: 0.7231 (pm20)
REVERT: E   98 LYS cc_start: 0.8993 (ttpt) cc_final: 0.8651 (ttpt)
REVERT: F  134 ASN cc_start: 0.8608 (OUTLIER) cc_final: 0.8009 (p0)
REVERT: G   47 ASP cc_start: 0.8496 (m-30) cc_final: 0.8247 (m-30)
REVERT: G  134 ASN cc_start: 0.8629 (OUTLIER) cc_final: 0.8230 (p0)
REVERT: H   47 ASP cc_start: 0.8525 (m-30) cc_final: 0.8229 (m-30)
REVERT: H  122 GLU cc_start: 0.7809 (tm-30) cc_final: 0.7572 (tm-30)
REVERT: I    7 LYS cc_start: 0.8744 (OUTLIER) cc_final: 0.8488 (mmpt)
REVERT: I  108 ARG cc_start: 0.8763 (OUTLIER) cc_final: 0.8412 (mtm180)
REVERT: I  122 GLU cc_start: 0.7831 (tm-30) cc_final: 0.7594 (tm-30)
REVERT: I  134 ASN cc_start: 0.8480 (OUTLIER) cc_final: 0.8037 (p0)
REVERT: J  122 GLU cc_start: 0.7789 (tm-30) cc_final: 0.7544 (tm-30)
REVERT: L    7 LYS cc_start: 0.8695 (OUTLIER) cc_final: 0.8134 (mmpt)
REVERT: L   98 LYS cc_start: 0.8920 (ttpt) cc_final: 0.8699 (ttpt)
REVERT: M   94 SER cc_start: 0.8851 (m) cc_final: 0.8614 (m)
REVERT: M  106 GLU cc_start: 0.8009 (tp30) cc_final: 0.7672 (tp30)
REVERT: M  134 ASN cc_start: 0.8571 (OUTLIER) cc_final: 0.8310 (p0)
REVERT: N   98 LYS cc_start: 0.8968 (ttpt) cc_final: 0.8321 (tmmt)
REVERT: O  109 LYS cc_start: 0.9138 (OUTLIER) cc_final: 0.8700 (ttpt)
REVERT: O  122 GLU cc_start: 0.7780 (tm-30) cc_final: 0.7539 (tm-30)
REVERT: P   45 GLU cc_start: 0.7605 (pm20) cc_final: 0.7375 (pm20)
REVERT: P   56 SER cc_start: 0.9066 (m) cc_final: 0.8734 (m)
REVERT: P  106 GLU cc_start: 0.7982 (tp30) cc_final: 0.7702 (OUTLIER)
REVERT: Q   44 ARG cc_start: 0.8443 (mtp180) cc_final: 0.8136 (mtp180)
REVERT: Q  134 ASN cc_start: 0.8728 (OUTLIER) cc_final: 0.8178 (p0)
REVERT: R   98 LYS cc_start: 0.9049 (ttpp) cc_final: 0.8843 (ttpp)
REVERT: R  102 ASN cc_start: 0.8155 (m-40) cc_final: 0.7801 (m-40)
REVERT: S    7 LYS cc_start: 0.8611 (OUTLIER) cc_final: 0.7900 (mmpt)
REVERT: T   47 ASP cc_start: 0.8454 (m-30) cc_final: 0.7952 (m-30)
REVERT: T  122 GLU cc_start: 0.7833 (tm-30) cc_final: 0.7596 (tm-30)
REVERT: T  134 ASN cc_start: 0.8622 (OUTLIER) cc_final: 0.8079 (p0)
REVERT: U    4 TYR cc_start: 0.9200 (m-80) cc_final: 0.8981 (m-80)
REVERT: U    7 LYS cc_start: 0.8597 (OUTLIER) cc_final: 0.7942 (mmmt)
REVERT: U   44 ARG cc_start: 0.8472 (mpp80) cc_final: 0.8085 (mtp180)
REVERT: U   94 SER cc_start: 0.9097 (t) cc_final: 0.8825 (p)
REVERT: U  134 ASN cc_start: 0.8474 (OUTLIER) cc_final: 0.8266 (p0)
REVERT: W   14 ARG cc_start: 0.8493 (mpp80) cc_final: 0.8202 (mpp80)
REVERT: W   47 ASP cc_start: 0.8487 (m-30) cc_final: 0.8200 (m-30)
REVERT: W  122 GLU cc_start: 0.7753 (tm-30) cc_final: 0.7422 (tm-30)
REVERT: W  146 MET cc_start: 0.9038 (mmm) cc_final: 0.8752 (mmm)
REVERT: X    7 LYS cc_start: 0.8601 (OUTLIER) cc_final: 0.8251 (mtpp)
REVERT: X  134 ASN cc_start: 0.8576 (OUTLIER) cc_final: 0.8328 (p0)
REVERT: X  135 LYS cc_start: 0.9039 (mptt) cc_final: 0.8830 (mmtt)
REVERT: Y   45 GLU cc_start: 0.7526 (pm20) cc_final: 0.6953 (pm20)
REVERT: Y   46 GLU cc_start: 0.7975 (mp0) cc_final: 0.7093 (mp0)
REVERT: 0  122 GLU cc_start: 0.7804 (tm-30) cc_final: 0.7498 (tm-30)
REVERT: 0  134 ASN cc_start: 0.8665 (OUTLIER) cc_final: 0.8210 (p0)
REVERT: 1    7 LYS cc_start: 0.8747 (OUTLIER) cc_final: 0.8054 (mmpt)
REVERT: 1   14 ARG cc_start: 0.8427 (mpp80) cc_final: 0.7984 (mpp80)
REVERT: 1   47 ASP cc_start: 0.8473 (m-30) cc_final: 0.8154 (m-30)
REVERT: 3  134 ASN cc_start: 0.8358 (OUTLIER) cc_final: 0.8121 (p0)
REVERT: 4  122 GLU cc_start: 0.7754 (tm-30) cc_final: 0.7433 (tm-30)
REVERT: 4  134 ASN cc_start: 0.8696 (OUTLIER) cc_final: 0.8248 (p0)
REVERT: 5    7 LYS cc_start: 0.8763 (OUTLIER) cc_final: 0.8136 (mtpt)
REVERT: 5   14 ARG cc_start: 0.8410 (mpp80) cc_final: 0.7982 (mpp80)
REVERT: 5   47 ASP cc_start: 0.8486 (m-30) cc_final: 0.8204 (m-30)
REVERT: 6    7 LYS cc_start: 0.8719 (OUTLIER) cc_final: 0.8194 (mmpt)
REVERT: 6   56 SER cc_start: 0.9072 (m) cc_final: 0.8737 (m)
REVERT: 6  106 GLU cc_start: 0.7972 (tp30) cc_final: 0.7701 (OUTLIER)
REVERT: 9   73 ASP cc_start: 0.9032 (m-30) cc_final: 0.8785 (m-30)
REVERT: a  134 ASN cc_start: 0.8518 (OUTLIER) cc_final: 0.8187 (p0)
REVERT: c   44 ARG cc_start: 0.8361 (mtp180) cc_final: 0.8020 (mtp180)
REVERT: c  134 ASN cc_start: 0.8677 (OUTLIER) cc_final: 0.8158 (p0)
REVERT: c  135 LYS cc_start: 0.9046 (mmtt) cc_final: 0.8838 (mptt)
REVERT: d   94 SER cc_start: 0.8799 (m) cc_final: 0.8583 (m)
REVERT: d  106 GLU cc_start: 0.7974 (tp30) cc_final: 0.7675 (tp30)
REVERT: d  134 ASN cc_start: 0.8580 (OUTLIER) cc_final: 0.8332 (p0)
REVERT: e   47 ASP cc_start: 0.8468 (m-30) cc_final: 0.8208 (m-30)
REVERT: e  122 GLU cc_start: 0.7684 (tm-30) cc_final: 0.7373 (tm-30)
REVERT: e  146 MET cc_start: 0.9043 (mmm) cc_final: 0.8751 (mmm)
REVERT: e  151 LYS cc_start: 0.9341 (OUTLIER) cc_final: 0.9108 (mtmm)
REVERT: g  146 MET cc_start: 0.9095 (mmm) cc_final: 0.8825 (mmm)
REVERT: h    7 LYS cc_start: 0.8627 (OUTLIER) cc_final: 0.8097 (mmpt)
REVERT: h  134 ASN cc_start: 0.8512 (OUTLIER) cc_final: 0.8285 (p0)
REVERT: j   47 ASP cc_start: 0.8492 (m-30) cc_final: 0.8090 (m-30)
REVERT: j  122 GLU cc_start: 0.7849 (tm-30) cc_final: 0.7594 (tm-30)
REVERT: j  134 ASN cc_start: 0.8789 (OUTLIER) cc_final: 0.8171 (p0)
REVERT: j  146 MET cc_start: 0.9117 (mmm) cc_final: 0.8783 (mmm)
REVERT: l    7 LYS cc_start: 0.8652 (OUTLIER) cc_final: 0.8264 (mmpt)
REVERT: l   47 ASP cc_start: 0.8476 (m-30) cc_final: 0.8167 (m-30)
REVERT: l  134 ASN cc_start: 0.8658 (OUTLIER) cc_final: 0.8263 (p0)
REVERT: m  109 LYS cc_start: 0.8970 (OUTLIER) cc_final: 0.8596 (ttpt)
REVERT: m  122 GLU cc_start: 0.7683 (tm-30) cc_final: 0.7459 (tm-30)
REVERT: m  134 ASN cc_start: 0.8509 (OUTLIER) cc_final: 0.8276 (p0)
REVERT: m  135 LYS cc_start: 0.8967 (mptt) cc_final: 0.8749 (mptt)
REVERT: n   98 LYS cc_start: 0.8955 (ttpt) cc_final: 0.8625 (tmmt)
REVERT: n  102 ASN cc_start: 0.8082 (m-40) cc_final: 0.7821 (m-40)
REVERT: o   98 LYS cc_start: 0.8854 (ttpt) cc_final: 0.8349 (ttpt)
REVERT: o  108 ARG cc_start: 0.8849 (OUTLIER) cc_final: 0.8114 (mtm180)
REVERT: o  122 GLU cc_start: 0.7627 (tm-30) cc_final: 0.7417 (tm-30)
REVERT: o  134 ASN cc_start: 0.8626 (OUTLIER) cc_final: 0.8338 (p0)
REVERT: p    7 LYS cc_start: 0.8689 (OUTLIER) cc_final: 0.8485 (mmpt)
REVERT: p  122 GLU cc_start: 0.7789 (tm-30) cc_final: 0.7528 (tm-30)
REVERT: p  134 ASN cc_start: 0.8403 (OUTLIER) cc_final: 0.7895 (p0)
REVERT: q    7 LYS cc_start: 0.8612 (OUTLIER) cc_final: 0.7898 (mmpt)
REVERT: r   47 ASP cc_start: 0.8439 (m-30) cc_final: 0.8213 (m-30)
REVERT: s   90 ASP cc_start: 0.8508 (m-30) cc_final: 0.8213 (m-30)
REVERT: s   94 SER cc_start: 0.8948 (m) cc_final: 0.8703 (m)
REVERT: s  122 GLU cc_start: 0.7946 (tm-30) cc_final: 0.7697 (tm-30)
REVERT: t   98 LYS cc_start: 0.8910 (ttpt) cc_final: 0.8703 (ttpt)
REVERT: v   47 ASP cc_start: 0.8659 (m-30) cc_final: 0.8411 (m-30)
REVERT: x  122 GLU cc_start: 0.7946 (tm-30) cc_final: 0.7731 (tm-30)
  outliers start: 330
  outliers final: 198
  residues processed: 1614
  average time/residue: 1.5478
  time to fit residues: 3238.3071
Evaluate side-chains
  1667 residues out of total 7200 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 235
    poor density    : 1432
  time to evaluate  : 6.336 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   24 HIS
Chi-restraints excluded: chain A residue   56 SER
Chi-restraints excluded: chain A residue  131 LYS
Chi-restraints excluded: chain B residue   24 HIS
Chi-restraints excluded: chain B residue   56 SER
Chi-restraints excluded: chain B residue   71 ASP
Chi-restraints excluded: chain B residue  131 LYS
Chi-restraints excluded: chain B residue  134 ASN
Chi-restraints excluded: chain B residue  151 LYS
Chi-restraints excluded: chain C residue   24 HIS
Chi-restraints excluded: chain C residue   94 SER
Chi-restraints excluded: chain C residue  109 LYS
Chi-restraints excluded: chain C residue  131 LYS
Chi-restraints excluded: chain C residue  134 ASN
Chi-restraints excluded: chain D residue    7 LYS
Chi-restraints excluded: chain D residue   24 HIS
Chi-restraints excluded: chain D residue   56 SER
Chi-restraints excluded: chain D residue   90 ASP
Chi-restraints excluded: chain D residue  131 LYS
Chi-restraints excluded: chain E residue   56 SER
Chi-restraints excluded: chain F residue   24 HIS
Chi-restraints excluded: chain F residue   71 ASP
Chi-restraints excluded: chain F residue  134 ASN
Chi-restraints excluded: chain G residue   11 GLU
Chi-restraints excluded: chain G residue   56 SER
Chi-restraints excluded: chain G residue   94 SER
Chi-restraints excluded: chain G residue  130 THR
Chi-restraints excluded: chain G residue  131 LYS
Chi-restraints excluded: chain G residue  134 ASN
Chi-restraints excluded: chain H residue   24 HIS
Chi-restraints excluded: chain H residue   94 SER
Chi-restraints excluded: chain H residue  131 LYS
Chi-restraints excluded: chain H residue  151 LYS
Chi-restraints excluded: chain I residue    7 LYS
Chi-restraints excluded: chain I residue   24 HIS
Chi-restraints excluded: chain I residue   71 ASP
Chi-restraints excluded: chain I residue   94 SER
Chi-restraints excluded: chain I residue  108 ARG
Chi-restraints excluded: chain I residue  134 ASN
Chi-restraints excluded: chain J residue   11 GLU
Chi-restraints excluded: chain J residue   56 SER
Chi-restraints excluded: chain J residue  131 LYS
Chi-restraints excluded: chain K residue   56 SER
Chi-restraints excluded: chain K residue   94 SER
Chi-restraints excluded: chain L residue    7 LYS
Chi-restraints excluded: chain L residue   24 HIS
Chi-restraints excluded: chain L residue   56 SER
Chi-restraints excluded: chain L residue  131 LYS
Chi-restraints excluded: chain L residue  134 ASN
Chi-restraints excluded: chain M residue   56 SER
Chi-restraints excluded: chain M residue   71 ASP
Chi-restraints excluded: chain M residue  131 LYS
Chi-restraints excluded: chain M residue  134 ASN
Chi-restraints excluded: chain N residue   24 HIS
Chi-restraints excluded: chain N residue   94 SER
Chi-restraints excluded: chain N residue  134 ASN
Chi-restraints excluded: chain O residue   24 HIS
Chi-restraints excluded: chain O residue   56 SER
Chi-restraints excluded: chain O residue  109 LYS
Chi-restraints excluded: chain O residue  131 LYS
Chi-restraints excluded: chain Q residue   24 HIS
Chi-restraints excluded: chain Q residue   56 SER
Chi-restraints excluded: chain Q residue   71 ASP
Chi-restraints excluded: chain Q residue   94 SER
Chi-restraints excluded: chain Q residue  134 ASN
Chi-restraints excluded: chain R residue   24 HIS
Chi-restraints excluded: chain R residue  131 LYS
Chi-restraints excluded: chain R residue  134 ASN
Chi-restraints excluded: chain S residue    7 LYS
Chi-restraints excluded: chain S residue   11 GLU
Chi-restraints excluded: chain S residue   24 HIS
Chi-restraints excluded: chain S residue  131 LYS
Chi-restraints excluded: chain S residue  134 ASN
Chi-restraints excluded: chain T residue   71 ASP
Chi-restraints excluded: chain T residue  104 SER
Chi-restraints excluded: chain T residue  134 ASN
Chi-restraints excluded: chain U residue    7 LYS
Chi-restraints excluded: chain U residue   11 GLU
Chi-restraints excluded: chain U residue   24 HIS
Chi-restraints excluded: chain U residue   56 SER
Chi-restraints excluded: chain U residue   71 ASP
Chi-restraints excluded: chain U residue  131 LYS
Chi-restraints excluded: chain U residue  134 ASN
Chi-restraints excluded: chain V residue  105 LEU
Chi-restraints excluded: chain W residue   11 GLU
Chi-restraints excluded: chain W residue   24 HIS
Chi-restraints excluded: chain X residue    7 LYS
Chi-restraints excluded: chain X residue   24 HIS
Chi-restraints excluded: chain X residue   56 SER
Chi-restraints excluded: chain X residue   90 ASP
Chi-restraints excluded: chain X residue  131 LYS
Chi-restraints excluded: chain X residue  134 ASN
Chi-restraints excluded: chain Y residue   24 HIS
Chi-restraints excluded: chain Y residue   94 SER
Chi-restraints excluded: chain Y residue  131 LYS
Chi-restraints excluded: chain Y residue  134 ASN
Chi-restraints excluded: chain Z residue   11 GLU
Chi-restraints excluded: chain Z residue   24 HIS
Chi-restraints excluded: chain Z residue   56 SER
Chi-restraints excluded: chain Z residue   90 ASP
Chi-restraints excluded: chain Z residue  131 LYS
Chi-restraints excluded: chain 0 residue   24 HIS
Chi-restraints excluded: chain 0 residue   56 SER
Chi-restraints excluded: chain 0 residue   71 ASP
Chi-restraints excluded: chain 0 residue   94 SER
Chi-restraints excluded: chain 0 residue  134 ASN
Chi-restraints excluded: chain 1 residue    7 LYS
Chi-restraints excluded: chain 1 residue   24 HIS
Chi-restraints excluded: chain 1 residue  134 ASN
Chi-restraints excluded: chain 2 residue  131 LYS
Chi-restraints excluded: chain 3 residue   11 GLU
Chi-restraints excluded: chain 3 residue   24 HIS
Chi-restraints excluded: chain 3 residue   94 SER
Chi-restraints excluded: chain 3 residue  131 LYS
Chi-restraints excluded: chain 3 residue  134 ASN
Chi-restraints excluded: chain 4 residue   24 HIS
Chi-restraints excluded: chain 4 residue   56 SER
Chi-restraints excluded: chain 4 residue   71 ASP
Chi-restraints excluded: chain 4 residue   94 SER
Chi-restraints excluded: chain 4 residue  134 ASN
Chi-restraints excluded: chain 5 residue    7 LYS
Chi-restraints excluded: chain 5 residue   24 HIS
Chi-restraints excluded: chain 5 residue  131 LYS
Chi-restraints excluded: chain 5 residue  134 ASN
Chi-restraints excluded: chain 6 residue    7 LYS
Chi-restraints excluded: chain 6 residue   11 GLU
Chi-restraints excluded: chain 7 residue   11 GLU
Chi-restraints excluded: chain 7 residue   94 SER
Chi-restraints excluded: chain 7 residue  131 LYS
Chi-restraints excluded: chain 8 residue   24 HIS
Chi-restraints excluded: chain 8 residue   56 SER
Chi-restraints excluded: chain 8 residue   90 ASP
Chi-restraints excluded: chain 8 residue  131 LYS
Chi-restraints excluded: chain 9 residue   24 HIS
Chi-restraints excluded: chain 9 residue   56 SER
Chi-restraints excluded: chain 9 residue   94 SER
Chi-restraints excluded: chain 9 residue  131 LYS
Chi-restraints excluded: chain 9 residue  134 ASN
Chi-restraints excluded: chain a residue   11 GLU
Chi-restraints excluded: chain a residue   94 SER
Chi-restraints excluded: chain a residue  131 LYS
Chi-restraints excluded: chain a residue  134 ASN
Chi-restraints excluded: chain b residue   24 HIS
Chi-restraints excluded: chain b residue   56 SER
Chi-restraints excluded: chain b residue   94 SER
Chi-restraints excluded: chain c residue   24 HIS
Chi-restraints excluded: chain c residue   56 SER
Chi-restraints excluded: chain c residue   71 ASP
Chi-restraints excluded: chain c residue   94 SER
Chi-restraints excluded: chain c residue  134 ASN
Chi-restraints excluded: chain d residue   56 SER
Chi-restraints excluded: chain d residue   71 ASP
Chi-restraints excluded: chain d residue  134 ASN
Chi-restraints excluded: chain d residue  151 LYS
Chi-restraints excluded: chain e residue   24 HIS
Chi-restraints excluded: chain e residue   56 SER
Chi-restraints excluded: chain e residue  131 LYS
Chi-restraints excluded: chain e residue  151 LYS
Chi-restraints excluded: chain g residue   24 HIS
Chi-restraints excluded: chain g residue   56 SER
Chi-restraints excluded: chain g residue  131 LYS
Chi-restraints excluded: chain g residue  134 ASN
Chi-restraints excluded: chain h residue    7 LYS
Chi-restraints excluded: chain h residue   11 GLU
Chi-restraints excluded: chain h residue   56 SER
Chi-restraints excluded: chain h residue   71 ASP
Chi-restraints excluded: chain h residue  131 LYS
Chi-restraints excluded: chain h residue  134 ASN
Chi-restraints excluded: chain i residue   56 SER
Chi-restraints excluded: chain i residue  131 LYS
Chi-restraints excluded: chain i residue  134 ASN
Chi-restraints excluded: chain j residue   24 HIS
Chi-restraints excluded: chain j residue   71 ASP
Chi-restraints excluded: chain j residue  134 ASN
Chi-restraints excluded: chain k residue   24 HIS
Chi-restraints excluded: chain k residue  131 LYS
Chi-restraints excluded: chain k residue  134 ASN
Chi-restraints excluded: chain l residue    7 LYS
Chi-restraints excluded: chain l residue   11 GLU
Chi-restraints excluded: chain l residue   56 SER
Chi-restraints excluded: chain l residue   94 SER
Chi-restraints excluded: chain l residue  130 THR
Chi-restraints excluded: chain l residue  131 LYS
Chi-restraints excluded: chain l residue  134 ASN
Chi-restraints excluded: chain l residue  151 LYS
Chi-restraints excluded: chain m residue   11 GLU
Chi-restraints excluded: chain m residue   24 HIS
Chi-restraints excluded: chain m residue   56 SER
Chi-restraints excluded: chain m residue  109 LYS
Chi-restraints excluded: chain m residue  131 LYS
Chi-restraints excluded: chain m residue  134 ASN
Chi-restraints excluded: chain n residue   24 HIS
Chi-restraints excluded: chain n residue   94 SER
Chi-restraints excluded: chain n residue  131 LYS
Chi-restraints excluded: chain o residue   24 HIS
Chi-restraints excluded: chain o residue   56 SER
Chi-restraints excluded: chain o residue   90 ASP
Chi-restraints excluded: chain o residue   94 SER
Chi-restraints excluded: chain o residue  108 ARG
Chi-restraints excluded: chain o residue  131 LYS
Chi-restraints excluded: chain o residue  134 ASN
Chi-restraints excluded: chain p residue    7 LYS
Chi-restraints excluded: chain p residue   24 HIS
Chi-restraints excluded: chain p residue   71 ASP
Chi-restraints excluded: chain p residue   94 SER
Chi-restraints excluded: chain p residue  131 LYS
Chi-restraints excluded: chain p residue  134 ASN
Chi-restraints excluded: chain q residue    7 LYS
Chi-restraints excluded: chain q residue   11 GLU
Chi-restraints excluded: chain q residue   24 HIS
Chi-restraints excluded: chain q residue   56 SER
Chi-restraints excluded: chain q residue  131 LYS
Chi-restraints excluded: chain q residue  134 ASN
Chi-restraints excluded: chain r residue   24 HIS
Chi-restraints excluded: chain r residue   56 SER
Chi-restraints excluded: chain r residue   94 SER
Chi-restraints excluded: chain r residue  131 LYS
Chi-restraints excluded: chain r residue  134 ASN
Chi-restraints excluded: chain s residue   11 GLU
Chi-restraints excluded: chain s residue   24 HIS
Chi-restraints excluded: chain s residue  131 LYS
Chi-restraints excluded: chain t residue   24 HIS
Chi-restraints excluded: chain t residue   71 ASP
Chi-restraints excluded: chain u residue   24 HIS
Chi-restraints excluded: chain u residue  134 ASN
Chi-restraints excluded: chain v residue   94 SER
Chi-restraints excluded: chain v residue  131 LYS
Chi-restraints excluded: chain v residue  134 ASN
Chi-restraints excluded: chain v residue  151 LYS
Chi-restraints excluded: chain w residue   24 HIS
Chi-restraints excluded: chain w residue   56 SER
Chi-restraints excluded: chain w residue  131 LYS
Chi-restraints excluded: chain x residue   24 HIS
Chi-restraints excluded: chain x residue  131 LYS
Chi-restraints excluded: chain x residue  135 LYS
Rotamers are restrained with sigma=4.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 900
   random chunks:
   chunk 808 optimal weight:    0.9990
   chunk 615 optimal weight:   10.0000
   chunk 424 optimal weight:   10.0000
   chunk 90 optimal weight:    9.9990
   chunk 390 optimal weight:   10.0000
   chunk 549 optimal weight:    1.9990
   chunk 821 optimal weight:    7.9990
   chunk 869 optimal weight:    5.9990
   chunk 429 optimal weight:    0.9980
   chunk 778 optimal weight:    0.9990
   chunk 234 optimal weight:    2.9990
   overall best weight:    1.5988

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

Flipped N/Q/H residues before XYZ refinement:
F  23 ASN
h 102 ASN

Total number of N/Q/H flips: 2

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8673
moved from start:          0.2262

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.029  71640  Z= 0.189
  Angle     :  0.510   7.390  96780  Z= 0.279
  Chirality :  0.045   0.130  11220
  Planarity :  0.005   0.045  12480
  Dihedral  :  4.147  20.938   9962
  Min Nonbonded Distance : 2.120

Molprobity Statistics.
  All-atom Clashscore : 6.67
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  3.29 %
    Favored  : 96.71 %
  Rotamer:
    Outliers :  4.00 %
    Allowed  : 12.11 %
    Favored  : 83.89 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  1.81 (0.10), residues: 9120
  helix:  1.98 (0.08), residues: 4680
  sheet:  0.88 (0.11), residues: 2220
  loop : -0.05 (0.15), residues: 2220

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.013   0.002   TRP t 137 
 HIS   0.019   0.002   HIS U  24 
 PHE   0.018   0.001   PHE W 113 
 TYR   0.006   0.001   TYR r  91 
 ARG   0.006   0.000   ARG V 154 

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

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

  18240 Ramachandran restraints generated.
    9120 Oldfield, 0 Emsley, 9120 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  18240 Ramachandran restraints generated.
    9120 Oldfield, 0 Emsley, 9120 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  1884 residues out of total 7200 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 288
    poor density    : 1596
  time to evaluate  : 6.419 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A    7 LYS cc_start: 0.8513 (OUTLIER) cc_final: 0.7670 (mmpt)
REVERT: A  122 GLU cc_start: 0.7898 (tm-30) cc_final: 0.7637 (tm-30)
REVERT: B   44 ARG cc_start: 0.8473 (mtm110) cc_final: 0.8249 (mtm110)
REVERT: C  122 GLU cc_start: 0.7739 (tm-30) cc_final: 0.7523 (tm-30)
REVERT: D   73 ASP cc_start: 0.8912 (m-30) cc_final: 0.8614 (m-30)
REVERT: D  134 ASN cc_start: 0.8313 (OUTLIER) cc_final: 0.8060 (p0)
REVERT: E   98 LYS cc_start: 0.8985 (ttpt) cc_final: 0.8709 (ttpt)
REVERT: E  134 ASN cc_start: 0.8349 (p0) cc_final: 0.8101 (p0)
REVERT: E  154 ARG cc_start: 0.7461 (mmm-85) cc_final: 0.7185 (mmm-85)
REVERT: G    7 LYS cc_start: 0.8577 (OUTLIER) cc_final: 0.8233 (mmpt)
REVERT: G   47 ASP cc_start: 0.8515 (m-30) cc_final: 0.8249 (m-30)
REVERT: G   98 LYS cc_start: 0.8900 (ttpt) cc_final: 0.8565 (tttm)
REVERT: G  134 ASN cc_start: 0.8280 (OUTLIER) cc_final: 0.7896 (p0)
REVERT: H   47 ASP cc_start: 0.8489 (m-30) cc_final: 0.8220 (m-30)
REVERT: H  122 GLU cc_start: 0.7802 (tm-30) cc_final: 0.7515 (tm-30)
REVERT: H  134 ASN cc_start: 0.8143 (OUTLIER) cc_final: 0.7938 (p0)
REVERT: I    7 LYS cc_start: 0.8632 (OUTLIER) cc_final: 0.8395 (mmpt)
REVERT: I  108 ARG cc_start: 0.8796 (OUTLIER) cc_final: 0.8376 (mtm180)
REVERT: I  122 GLU cc_start: 0.7827 (tm-30) cc_final: 0.7520 (tm-30)
REVERT: I  134 ASN cc_start: 0.8118 (OUTLIER) cc_final: 0.7652 (p0)
REVERT: J  122 GLU cc_start: 0.7795 (tm-30) cc_final: 0.7529 (tm-30)
REVERT: J  151 LYS cc_start: 0.9326 (OUTLIER) cc_final: 0.9015 (mtmm)
REVERT: L   98 LYS cc_start: 0.8890 (ttpt) cc_final: 0.8638 (ttpt)
REVERT: M  106 GLU cc_start: 0.7978 (tp30) cc_final: 0.7696 (tp30)
REVERT: M  134 ASN cc_start: 0.8193 (OUTLIER) cc_final: 0.7852 (p0)
REVERT: N   98 LYS cc_start: 0.8932 (ttpt) cc_final: 0.8674 (ttpt)
REVERT: O  109 LYS cc_start: 0.9041 (OUTLIER) cc_final: 0.8708 (ttpt)
REVERT: O  122 GLU cc_start: 0.7776 (tm-30) cc_final: 0.7521 (tm-30)
REVERT: P  134 ASN cc_start: 0.8380 (OUTLIER) cc_final: 0.8109 (p0)
REVERT: Q   44 ARG cc_start: 0.8424 (mtp180) cc_final: 0.8147 (mtp180)
REVERT: Q  122 GLU cc_start: 0.7636 (tm-30) cc_final: 0.7432 (tm-30)
REVERT: Q  134 ASN cc_start: 0.8280 (OUTLIER) cc_final: 0.7797 (p0)
REVERT: S  122 GLU cc_start: 0.7637 (tm-30) cc_final: 0.7379 (tm-30)
REVERT: T   47 ASP cc_start: 0.8326 (m-30) cc_final: 0.7973 (m-30)
REVERT: T  122 GLU cc_start: 0.7835 (tm-30) cc_final: 0.7561 (tm-30)
REVERT: U   94 SER cc_start: 0.9024 (t) cc_final: 0.8821 (p)
REVERT: U  134 ASN cc_start: 0.8280 (OUTLIER) cc_final: 0.8007 (p0)
REVERT: V  122 GLU cc_start: 0.7827 (tm-30) cc_final: 0.7533 (tm-30)
REVERT: W   14 ARG cc_start: 0.8479 (mpp80) cc_final: 0.8166 (mpp80)
REVERT: W   47 ASP cc_start: 0.8478 (m-30) cc_final: 0.8197 (m-30)
REVERT: W  122 GLU cc_start: 0.7759 (tm-30) cc_final: 0.7417 (tm-30)
REVERT: W  134 ASN cc_start: 0.8319 (OUTLIER) cc_final: 0.8047 (p0)
REVERT: W  146 MET cc_start: 0.9054 (mmm) cc_final: 0.8836 (mmm)
REVERT: X  134 ASN cc_start: 0.8237 (OUTLIER) cc_final: 0.7964 (p0)
REVERT: Y    7 LYS cc_start: 0.8661 (OUTLIER) cc_final: 0.8019 (mmpt)
REVERT: Y   45 GLU cc_start: 0.7595 (pm20) cc_final: 0.7248 (pm20)
REVERT: Y   46 GLU cc_start: 0.8007 (mp0) cc_final: 0.7208 (mp0)
REVERT: Y  122 GLU cc_start: 0.7759 (tm-30) cc_final: 0.7421 (tm-30)
REVERT: 0    7 LYS cc_start: 0.8580 (OUTLIER) cc_final: 0.7978 (mmpt)
REVERT: 0  122 GLU cc_start: 0.7725 (tm-30) cc_final: 0.7328 (tm-30)
REVERT: 0  134 ASN cc_start: 0.8353 (OUTLIER) cc_final: 0.7971 (p0)
REVERT: 1   14 ARG cc_start: 0.8417 (mpp80) cc_final: 0.8038 (mpp80)
REVERT: 1   47 ASP cc_start: 0.8423 (m-30) cc_final: 0.8108 (m-30)
REVERT: 1  146 MET cc_start: 0.9005 (mmm) cc_final: 0.8715 (mmm)
REVERT: 4  122 GLU cc_start: 0.7737 (tm-30) cc_final: 0.7339 (tm-30)
REVERT: 4  134 ASN cc_start: 0.8370 (OUTLIER) cc_final: 0.7988 (p0)
REVERT: 5   14 ARG cc_start: 0.8461 (mpp80) cc_final: 0.8108 (mpp80)
REVERT: 5   47 ASP cc_start: 0.8410 (m-30) cc_final: 0.8124 (m-30)
REVERT: 5  146 MET cc_start: 0.9024 (mmm) cc_final: 0.8781 (mmm)
REVERT: 6   44 ARG cc_start: 0.8499 (mtp85) cc_final: 0.8223 (mtm110)
REVERT: 6  106 GLU cc_start: 0.7944 (tp30) cc_final: 0.7710 (OUTLIER)
REVERT: 6  134 ASN cc_start: 0.8399 (OUTLIER) cc_final: 0.8122 (p0)
REVERT: c   44 ARG cc_start: 0.8337 (mtp180) cc_final: 0.8059 (mtp180)
REVERT: c  122 GLU cc_start: 0.7732 (tm-30) cc_final: 0.7487 (tm-30)
REVERT: c  134 ASN cc_start: 0.8178 (OUTLIER) cc_final: 0.7714 (p0)
REVERT: d   44 ARG cc_start: 0.8463 (mpp80) cc_final: 0.8092 (mtp85)
REVERT: d  106 GLU cc_start: 0.7927 (tp30) cc_final: 0.7660 (tp30)
REVERT: d  134 ASN cc_start: 0.8233 (OUTLIER) cc_final: 0.7896 (p0)
REVERT: e   47 ASP cc_start: 0.8487 (m-30) cc_final: 0.8226 (m-30)
REVERT: e  134 ASN cc_start: 0.8345 (OUTLIER) cc_final: 0.8089 (p0)
REVERT: e  146 MET cc_start: 0.9039 (mmm) cc_final: 0.8821 (mmm)
REVERT: e  151 LYS cc_start: 0.9343 (OUTLIER) cc_final: 0.9102 (mtmm)
REVERT: g  146 MET cc_start: 0.9078 (mmm) cc_final: 0.8821 (mmm)
REVERT: h  134 ASN cc_start: 0.8287 (OUTLIER) cc_final: 0.7990 (p0)
REVERT: j   47 ASP cc_start: 0.8415 (m-30) cc_final: 0.7922 (m-30)
REVERT: j  122 GLU cc_start: 0.7864 (tm-30) cc_final: 0.7590 (tm-30)
REVERT: j  134 ASN cc_start: 0.8437 (OUTLIER) cc_final: 0.7835 (p0)
REVERT: j  146 MET cc_start: 0.9153 (mmm) cc_final: 0.8844 (mmm)
REVERT: l   47 ASP cc_start: 0.8490 (m-30) cc_final: 0.8099 (m-30)
REVERT: l  134 ASN cc_start: 0.8295 (OUTLIER) cc_final: 0.7898 (p0)
REVERT: m  109 LYS cc_start: 0.8895 (OUTLIER) cc_final: 0.8568 (ttpt)
REVERT: n  102 ASN cc_start: 0.8025 (m-40) cc_final: 0.7767 (m-40)
REVERT: o   98 LYS cc_start: 0.8804 (ttpt) cc_final: 0.8309 (ttpt)
REVERT: o  122 GLU cc_start: 0.7691 (tm-30) cc_final: 0.7447 (tm-30)
REVERT: o  134 ASN cc_start: 0.8260 (OUTLIER) cc_final: 0.7941 (p0)
REVERT: p  122 GLU cc_start: 0.7781 (tm-30) cc_final: 0.7461 (tm-30)
REVERT: p  134 ASN cc_start: 0.8148 (OUTLIER) cc_final: 0.7639 (p0)
REVERT: q  122 GLU cc_start: 0.7629 (tm-30) cc_final: 0.7420 (tm-30)
REVERT: s  122 GLU cc_start: 0.7968 (tm-30) cc_final: 0.7670 (tm-30)
REVERT: t  134 ASN cc_start: 0.8389 (OUTLIER) cc_final: 0.8160 (p0)
REVERT: u   45 GLU cc_start: 0.7503 (pm20) cc_final: 0.7227 (pm20)
REVERT: u  122 GLU cc_start: 0.7733 (tm-30) cc_final: 0.7498 (tm-30)
REVERT: w  134 ASN cc_start: 0.8322 (OUTLIER) cc_final: 0.8032 (p0)
REVERT: x    7 LYS cc_start: 0.8584 (OUTLIER) cc_final: 0.7702 (mmpt)
REVERT: x  122 GLU cc_start: 0.7918 (tm-30) cc_final: 0.7707 (tm-30)
  outliers start: 288
  outliers final: 139
  residues processed: 1662
  average time/residue: 1.5669
  time to fit residues: 3364.4571
Evaluate side-chains
  1652 residues out of total 7200 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 172
    poor density    : 1480
  time to evaluate  : 6.342 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue    7 LYS
Chi-restraints excluded: chain A residue   24 HIS
Chi-restraints excluded: chain A residue   56 SER
Chi-restraints excluded: chain A residue  134 ASN
Chi-restraints excluded: chain B residue   24 HIS
Chi-restraints excluded: chain B residue   56 SER
Chi-restraints excluded: chain B residue  134 ASN
Chi-restraints excluded: chain C residue   24 HIS
Chi-restraints excluded: chain C residue   94 SER
Chi-restraints excluded: chain C residue  131 LYS
Chi-restraints excluded: chain D residue   24 HIS
Chi-restraints excluded: chain D residue   56 SER
Chi-restraints excluded: chain D residue   90 ASP
Chi-restraints excluded: chain D residue  134 ASN
Chi-restraints excluded: chain E residue   24 HIS
Chi-restraints excluded: chain E residue   56 SER
Chi-restraints excluded: chain E residue  151 LYS
Chi-restraints excluded: chain F residue   24 HIS
Chi-restraints excluded: chain F residue  134 ASN
Chi-restraints excluded: chain G residue    7 LYS
Chi-restraints excluded: chain G residue   56 SER
Chi-restraints excluded: chain G residue   94 SER
Chi-restraints excluded: chain G residue  134 ASN
Chi-restraints excluded: chain H residue   24 HIS
Chi-restraints excluded: chain H residue   94 SER
Chi-restraints excluded: chain H residue  131 LYS
Chi-restraints excluded: chain H residue  134 ASN
Chi-restraints excluded: chain I residue    7 LYS
Chi-restraints excluded: chain I residue   24 HIS
Chi-restraints excluded: chain I residue   94 SER
Chi-restraints excluded: chain I residue  108 ARG
Chi-restraints excluded: chain I residue  134 ASN
Chi-restraints excluded: chain J residue   56 SER
Chi-restraints excluded: chain J residue  151 LYS
Chi-restraints excluded: chain K residue   56 SER
Chi-restraints excluded: chain K residue   94 SER
Chi-restraints excluded: chain K residue  134 ASN
Chi-restraints excluded: chain L residue   24 HIS
Chi-restraints excluded: chain L residue   56 SER
Chi-restraints excluded: chain L residue  134 ASN
Chi-restraints excluded: chain M residue   24 HIS
Chi-restraints excluded: chain M residue   56 SER
Chi-restraints excluded: chain M residue  134 ASN
Chi-restraints excluded: chain N residue   24 HIS
Chi-restraints excluded: chain N residue   94 SER
Chi-restraints excluded: chain N residue  134 ASN
Chi-restraints excluded: chain O residue   24 HIS
Chi-restraints excluded: chain O residue   56 SER
Chi-restraints excluded: chain O residue  109 LYS
Chi-restraints excluded: chain P residue   56 SER
Chi-restraints excluded: chain P residue  134 ASN
Chi-restraints excluded: chain Q residue   24 HIS
Chi-restraints excluded: chain Q residue   56 SER
Chi-restraints excluded: chain Q residue   94 SER
Chi-restraints excluded: chain Q residue  134 ASN
Chi-restraints excluded: chain R residue   24 HIS
Chi-restraints excluded: chain S residue   24 HIS
Chi-restraints excluded: chain S residue  134 ASN
Chi-restraints excluded: chain T residue   24 HIS
Chi-restraints excluded: chain T residue  104 SER
Chi-restraints excluded: chain T residue  134 ASN
Chi-restraints excluded: chain U residue   11 GLU
Chi-restraints excluded: chain U residue   56 SER
Chi-restraints excluded: chain U residue  134 ASN
Chi-restraints excluded: chain V residue   24 HIS
Chi-restraints excluded: chain V residue   94 SER
Chi-restraints excluded: chain V residue  105 LEU
Chi-restraints excluded: chain W residue   24 HIS
Chi-restraints excluded: chain W residue  134 ASN
Chi-restraints excluded: chain X residue   24 HIS
Chi-restraints excluded: chain X residue   56 SER
Chi-restraints excluded: chain X residue   94 SER
Chi-restraints excluded: chain X residue  134 ASN
Chi-restraints excluded: chain Y residue    7 LYS
Chi-restraints excluded: chain Y residue   24 HIS
Chi-restraints excluded: chain Y residue   94 SER
Chi-restraints excluded: chain Y residue  134 ASN
Chi-restraints excluded: chain Z residue   24 HIS
Chi-restraints excluded: chain Z residue   56 SER
Chi-restraints excluded: chain Z residue   90 ASP
Chi-restraints excluded: chain 0 residue    7 LYS
Chi-restraints excluded: chain 0 residue   24 HIS
Chi-restraints excluded: chain 0 residue   56 SER
Chi-restraints excluded: chain 0 residue   94 SER
Chi-restraints excluded: chain 0 residue  134 ASN
Chi-restraints excluded: chain 1 residue   24 HIS
Chi-restraints excluded: chain 1 residue  134 ASN
Chi-restraints excluded: chain 2 residue   24 HIS
Chi-restraints excluded: chain 2 residue  134 ASN
Chi-restraints excluded: chain 3 residue   94 SER
Chi-restraints excluded: chain 4 residue   24 HIS
Chi-restraints excluded: chain 4 residue   56 SER
Chi-restraints excluded: chain 4 residue   94 SER
Chi-restraints excluded: chain 4 residue  134 ASN
Chi-restraints excluded: chain 5 residue   24 HIS
Chi-restraints excluded: chain 5 residue  134 ASN
Chi-restraints excluded: chain 6 residue   56 SER
Chi-restraints excluded: chain 6 residue  134 ASN
Chi-restraints excluded: chain 7 residue   24 HIS
Chi-restraints excluded: chain 8 residue   24 HIS
Chi-restraints excluded: chain 8 residue   56 SER
Chi-restraints excluded: chain 8 residue   90 ASP
Chi-restraints excluded: chain 9 residue   56 SER
Chi-restraints excluded: chain 9 residue   94 SER
Chi-restraints excluded: chain 9 residue  134 ASN
Chi-restraints excluded: chain a residue   24 HIS
Chi-restraints excluded: chain b residue   24 HIS
Chi-restraints excluded: chain b residue   56 SER
Chi-restraints excluded: chain b residue   94 SER
Chi-restraints excluded: chain b residue  134 ASN
Chi-restraints excluded: chain c residue   56 SER
Chi-restraints excluded: chain c residue   94 SER
Chi-restraints excluded: chain c residue  134 ASN
Chi-restraints excluded: chain d residue   24 HIS
Chi-restraints excluded: chain d residue   56 SER
Chi-restraints excluded: chain d residue  134 ASN
Chi-restraints excluded: chain e residue   24 HIS
Chi-restraints excluded: chain e residue   56 SER
Chi-restraints excluded: chain e residue  134 ASN
Chi-restraints excluded: chain e residue  151 LYS
Chi-restraints excluded: chain f residue   24 HIS
Chi-restraints excluded: chain f residue  134 ASN
Chi-restraints excluded: chain g residue   24 HIS
Chi-restraints excluded: chain g residue   56 SER
Chi-restraints excluded: chain h residue   11 GLU
Chi-restraints excluded: chain h residue   56 SER
Chi-restraints excluded: chain h residue   71 ASP
Chi-restraints excluded: chain h residue  134 ASN
Chi-restraints excluded: chain i residue   56 SER
Chi-restraints excluded: chain i residue  134 ASN
Chi-restraints excluded: chain j residue   24 HIS
Chi-restraints excluded: chain j residue  134 ASN
Chi-restraints excluded: chain k residue   24 HIS
Chi-restraints excluded: chain l residue   56 SER
Chi-restraints excluded: chain l residue   94 SER
Chi-restraints excluded: chain l residue  130 THR
Chi-restraints excluded: chain l residue  134 ASN
Chi-restraints excluded: chain m residue   56 SER
Chi-restraints excluded: chain m residue  109 LYS
Chi-restraints excluded: chain n residue   24 HIS
Chi-restraints excluded: chain n residue   94 SER
Chi-restraints excluded: chain n residue  134 ASN
Chi-restraints excluded: chain o residue   24 HIS
Chi-restraints excluded: chain o residue   56 SER
Chi-restraints excluded: chain o residue   90 ASP
Chi-restraints excluded: chain o residue   94 SER
Chi-restraints excluded: chain o residue  134 ASN
Chi-restraints excluded: chain o residue  151 LYS
Chi-restraints excluded: chain p residue   24 HIS
Chi-restraints excluded: chain p residue   94 SER
Chi-restraints excluded: chain p residue  134 ASN
Chi-restraints excluded: chain q residue   56 SER
Chi-restraints excluded: chain q residue  134 ASN
Chi-restraints excluded: chain r residue   24 HIS
Chi-restraints excluded: chain r residue   56 SER
Chi-restraints excluded: chain r residue   94 SER
Chi-restraints excluded: chain r residue  134 ASN
Chi-restraints excluded: chain s residue   24 HIS
Chi-restraints excluded: chain t residue   24 HIS
Chi-restraints excluded: chain t residue   56 SER
Chi-restraints excluded: chain t residue  134 ASN
Chi-restraints excluded: chain u residue   24 HIS
Chi-restraints excluded: chain u residue  119 ASP
Chi-restraints excluded: chain u residue  134 ASN
Chi-restraints excluded: chain v residue   94 SER
Chi-restraints excluded: chain v residue  131 LYS
Chi-restraints excluded: chain w residue   24 HIS
Chi-restraints excluded: chain w residue   56 SER
Chi-restraints excluded: chain w residue  134 ASN
Chi-restraints excluded: chain x residue    7 LYS
Chi-restraints excluded: chain x residue   24 HIS
Chi-restraints excluded: chain x residue  134 ASN
Rotamers are restrained with sigma=3.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 900
   random chunks:
   chunk 724 optimal weight:    1.9990
   chunk 493 optimal weight:   10.0000
   chunk 12 optimal weight:    0.9980
   chunk 647 optimal weight:    9.9990
   chunk 358 optimal weight:    9.9990
   chunk 742 optimal weight:    7.9990
   chunk 601 optimal weight:    9.9990
   chunk 1 optimal weight:    8.9990
   chunk 444 optimal weight:    5.9990
   chunk 780 optimal weight:    9.9990
   chunk 219 optimal weight:    6.9990
   overall best weight:    4.7988

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

Flipped N/Q/H residues before XYZ refinement:
G  24 HIS
J  24 HIS
K  24 HIS
P  24 HIS
U  24 HIS
U 102 ASN
3  24 HIS
6  24 HIS
d  23 ASN
i  24 HIS
l  24 HIS
m  24 HIS
q  24 HIS
v  24 HIS

Total number of N/Q/H flips: 14

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8717
moved from start:          0.2355

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.006   0.039  71640  Z= 0.411
  Angle     :  0.573   7.399  96780  Z= 0.314
  Chirality :  0.048   0.144  11220
  Planarity :  0.005   0.047  12480
  Dihedral  :  4.164  20.789   9960
  Min Nonbonded Distance : 2.082

Molprobity Statistics.
  All-atom Clashscore : 7.07
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  3.82 %
    Favored  : 96.18 %
  Rotamer:
    Outliers :  4.07 %
    Allowed  : 12.97 %
    Favored  : 82.96 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  1.62 (0.10), residues: 9120
  helix:  1.69 (0.08), residues: 4860
  sheet:  0.88 (0.11), residues: 2220
  loop : -0.07 (0.16), residues: 2040

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.011   0.002   TRP s 137 
 HIS   0.012   0.003   HIS o  24 
 PHE   0.024   0.002   PHE W 113 
 TYR   0.015   0.002   TYR N  91 
 ARG   0.005   0.001   ARG P 154 

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

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

  18240 Ramachandran restraints generated.
    9120 Oldfield, 0 Emsley, 9120 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  18240 Ramachandran restraints generated.
    9120 Oldfield, 0 Emsley, 9120 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  1764 residues out of total 7200 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 293
    poor density    : 1471
  time to evaluate  : 7.624 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
REVERT: A    7 LYS cc_start: 0.8572 (OUTLIER) cc_final: 0.7693 (mmpt)
REVERT: A  122 GLU cc_start: 0.7797 (tm-30) cc_final: 0.7480 (tm-30)
REVERT: C    7 LYS cc_start: 0.8645 (OUTLIER) cc_final: 0.8414 (mmpt)
REVERT: D    7 LYS cc_start: 0.8697 (OUTLIER) cc_final: 0.8229 (mmpt)
REVERT: D   73 ASP cc_start: 0.8923 (m-30) cc_final: 0.8684 (m-30)
REVERT: D  134 ASN cc_start: 0.8445 (OUTLIER) cc_final: 0.8215 (p0)
REVERT: E   98 LYS cc_start: 0.8983 (ttpt) cc_final: 0.8634 (ttpt)
REVERT: E  134 ASN cc_start: 0.8384 (OUTLIER) cc_final: 0.8139 (p0)
REVERT: F  134 ASN cc_start: 0.8453 (OUTLIER) cc_final: 0.7894 (p0)
REVERT: G    7 LYS cc_start: 0.8671 (OUTLIER) cc_final: 0.8334 (mmpt)
REVERT: G   47 ASP cc_start: 0.8564 (m-30) cc_final: 0.8254 (m-30)
REVERT: G  134 ASN cc_start: 0.8398 (OUTLIER) cc_final: 0.8020 (p0)
REVERT: H   47 ASP cc_start: 0.8540 (m-30) cc_final: 0.8246 (m-30)
REVERT: I    7 LYS cc_start: 0.8735 (OUTLIER) cc_final: 0.8484 (mmpt)
REVERT: I  108 ARG cc_start: 0.8739 (OUTLIER) cc_final: 0.8378 (mtm180)
REVERT: I  122 GLU cc_start: 0.7827 (tm-30) cc_final: 0.7538 (tm-30)
REVERT: I  134 ASN cc_start: 0.8214 (OUTLIER) cc_final: 0.7803 (p0)
REVERT: J  122 GLU cc_start: 0.7838 (tm-30) cc_final: 0.7631 (tm-30)
REVERT: L    7 LYS cc_start: 0.8662 (OUTLIER) cc_final: 0.8052 (mmpt)
REVERT: M  106 GLU cc_start: 0.7970 (tp30) cc_final: 0.7698 (tp30)
REVERT: M  134 ASN cc_start: 0.8309 (OUTLIER) cc_final: 0.7970 (p0)
REVERT: N   98 LYS cc_start: 0.8941 (ttpt) cc_final: 0.8394 (tmmt)
REVERT: O  109 LYS cc_start: 0.9145 (OUTLIER) cc_final: 0.8713 (ttpt)
REVERT: O  122 GLU cc_start: 0.7804 (tm-30) cc_final: 0.7535 (tm-30)
REVERT: P   56 SER cc_start: 0.9077 (m) cc_final: 0.8742 (m)
REVERT: P  134 ASN cc_start: 0.8504 (OUTLIER) cc_final: 0.8219 (p0)
REVERT: Q  122 GLU cc_start: 0.7662 (tm-30) cc_final: 0.7434 (tm-30)
REVERT: Q  134 ASN cc_start: 0.8432 (OUTLIER) cc_final: 0.8000 (p0)
REVERT: R  102 ASN cc_start: 0.8080 (m-40) cc_final: 0.7817 (m110)
REVERT: S    7 LYS cc_start: 0.8624 (OUTLIER) cc_final: 0.7934 (mmpt)
REVERT: T  122 GLU cc_start: 0.7864 (tm-30) cc_final: 0.7605 (tm-30)
REVERT: U   94 SER cc_start: 0.9066 (t) cc_final: 0.8850 (p)
REVERT: U  134 ASN cc_start: 0.8386 (OUTLIER) cc_final: 0.8131 (p0)
REVERT: V  122 GLU cc_start: 0.7814 (tm-30) cc_final: 0.7500 (tm-30)
REVERT: W   14 ARG cc_start: 0.8474 (mpp80) cc_final: 0.8148 (mpp80)
REVERT: W   47 ASP cc_start: 0.8501 (m-30) cc_final: 0.8203 (m-30)
REVERT: W  109 LYS cc_start: 0.8875 (OUTLIER) cc_final: 0.8494 (ttpt)
REVERT: W  122 GLU cc_start: 0.7776 (tm-30) cc_final: 0.7446 (tm-30)
REVERT: W  134 ASN cc_start: 0.8360 (OUTLIER) cc_final: 0.8104 (p0)
REVERT: W  146 MET cc_start: 0.9073 (mmm) cc_final: 0.8730 (mmm)
REVERT: X  134 ASN cc_start: 0.8312 (OUTLIER) cc_final: 0.8032 (p0)
REVERT: Y    7 LYS cc_start: 0.8785 (OUTLIER) cc_final: 0.8116 (mmpt)
REVERT: Y   44 ARG cc_start: 0.8428 (mtp85) cc_final: 0.8169 (mtp85)
REVERT: Y   46 GLU cc_start: 0.8016 (mp0) cc_final: 0.7696 (mp0)
REVERT: Y  109 LYS cc_start: 0.8976 (OUTLIER) cc_final: 0.8591 (ttpt)
REVERT: 0    7 LYS cc_start: 0.8657 (OUTLIER) cc_final: 0.8061 (mmpt)
REVERT: 0  122 GLU cc_start: 0.7774 (tm-30) cc_final: 0.7399 (tm-30)
REVERT: 0  134 ASN cc_start: 0.8495 (OUTLIER) cc_final: 0.8100 (p0)
REVERT: 1    7 LYS cc_start: 0.8734 (OUTLIER) cc_final: 0.8066 (mmpt)
REVERT: 1   14 ARG cc_start: 0.8439 (mpp80) cc_final: 0.8070 (mpp80)
REVERT: 1   47 ASP cc_start: 0.8416 (m-30) cc_final: 0.8106 (m-30)
REVERT: 1  146 MET cc_start: 0.9005 (mmm) cc_final: 0.8631 (mmm)
REVERT: 3  122 GLU cc_start: 0.7868 (tm-30) cc_final: 0.7574 (tm-30)
REVERT: 4    7 LYS cc_start: 0.8649 (OUTLIER) cc_final: 0.8043 (mmpt)
REVERT: 4  122 GLU cc_start: 0.7779 (tm-30) cc_final: 0.7410 (tm-30)
REVERT: 4  134 ASN cc_start: 0.8495 (OUTLIER) cc_final: 0.8105 (p0)
REVERT: 5    7 LYS cc_start: 0.8758 (OUTLIER) cc_final: 0.8151 (mtpt)
REVERT: 5   14 ARG cc_start: 0.8446 (mpp80) cc_final: 0.8097 (mpp80)
REVERT: 5   47 ASP cc_start: 0.8457 (m-30) cc_final: 0.8154 (m-30)
REVERT: 5  146 MET cc_start: 0.9016 (mmm) cc_final: 0.8691 (mmm)
REVERT: 6    7 LYS cc_start: 0.8705 (OUTLIER) cc_final: 0.8189 (mmpt)
REVERT: 6   56 SER cc_start: 0.9086 (m) cc_final: 0.8743 (m)
REVERT: 6  134 ASN cc_start: 0.8505 (OUTLIER) cc_final: 0.8216 (p0)
REVERT: 7  134 ASN cc_start: 0.8109 (OUTLIER) cc_final: 0.7800 (p0)
REVERT: 8    7 LYS cc_start: 0.8705 (OUTLIER) cc_final: 0.7951 (mmpt)
REVERT: 9  109 LYS cc_start: 0.8918 (OUTLIER) cc_final: 0.8549 (ttpt)
REVERT: a  134 ASN cc_start: 0.8118 (OUTLIER) cc_final: 0.7840 (p0)
REVERT: b  131 LYS cc_start: 0.8914 (OUTLIER) cc_final: 0.8537 (mtmt)
REVERT: c  122 GLU cc_start: 0.7710 (tm-30) cc_final: 0.7422 (tm-30)
REVERT: c  134 ASN cc_start: 0.8280 (OUTLIER) cc_final: 0.7884 (p0)
REVERT: d   44 ARG cc_start: 0.8494 (mtp85) cc_final: 0.8244 (mtm110)
REVERT: d  106 GLU cc_start: 0.7952 (tp30) cc_final: 0.7646 (tp30)
REVERT: d  134 ASN cc_start: 0.8263 (OUTLIER) cc_final: 0.7952 (p0)
REVERT: e  134 ASN cc_start: 0.8439 (OUTLIER) cc_final: 0.8182 (p0)
REVERT: e  146 MET cc_start: 0.9071 (mmm) cc_final: 0.8727 (mmm)
REVERT: e  151 LYS cc_start: 0.9345 (OUTLIER) cc_final: 0.9094 (mtmm)
REVERT: g  146 MET cc_start: 0.9104 (mmm) cc_final: 0.8777 (mmm)
REVERT: h  134 ASN cc_start: 0.8292 (OUTLIER) cc_final: 0.8025 (p0)
REVERT: j  134 ASN cc_start: 0.8672 (OUTLIER) cc_final: 0.8148 (p0)
REVERT: j  146 MET cc_start: 0.9133 (mmm) cc_final: 0.8862 (mmm)
REVERT: l   47 ASP cc_start: 0.8373 (m-30) cc_final: 0.8088 (m-30)
REVERT: l  134 ASN cc_start: 0.8385 (OUTLIER) cc_final: 0.8011 (p0)
REVERT: m  109 LYS cc_start: 0.8995 (OUTLIER) cc_final: 0.8619 (ttpt)
REVERT: m  134 ASN cc_start: 0.8228 (p0) cc_final: 0.7998 (p0)
REVERT: n  102 ASN cc_start: 0.8038 (m-40) cc_final: 0.7763 (m-40)
REVERT: o   98 LYS cc_start: 0.8809 (ttpt) cc_final: 0.8370 (ttpt)
REVERT: o  122 GLU cc_start: 0.7726 (tm-30) cc_final: 0.7487 (tm-30)
REVERT: o  134 ASN cc_start: 0.8361 (OUTLIER) cc_final: 0.8071 (p0)
REVERT: p  122 GLU cc_start: 0.7788 (tm-30) cc_final: 0.7478 (tm-30)
REVERT: p  134 ASN cc_start: 0.8211 (OUTLIER) cc_final: 0.7777 (p0)
REVERT: q    7 LYS cc_start: 0.8619 (OUTLIER) cc_final: 0.7925 (mmpt)
REVERT: s  122 GLU cc_start: 0.7955 (tm-30) cc_final: 0.7616 (tm-30)
REVERT: u  122 GLU cc_start: 0.7751 (tm-30) cc_final: 0.7513 (tm-30)
REVERT: u  134 ASN cc_start: 0.8377 (OUTLIER) cc_final: 0.7904 (p0)
REVERT: w  134 ASN cc_start: 0.8508 (OUTLIER) cc_final: 0.8291 (p0)
REVERT: x    7 LYS cc_start: 0.8591 (OUTLIER) cc_final: 0.7712 (mmpt)
REVERT: x  122 GLU cc_start: 0.7799 (tm-30) cc_final: 0.7496 (tm-30)
  outliers start: 293
  outliers final: 197
  residues processed: 1562
  average time/residue: 1.5508
  time to fit residues: 3140.7355
Evaluate side-chains
  1669 residues out of total 7200 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 247
    poor density    : 1422
  time to evaluate  : 6.319 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue    7 LYS
Chi-restraints excluded: chain A residue   24 HIS
Chi-restraints excluded: chain A residue   56 SER
Chi-restraints excluded: chain A residue  134 ASN
Chi-restraints excluded: chain A residue  135 LYS
Chi-restraints excluded: chain B residue   24 HIS
Chi-restraints excluded: chain B residue   56 SER
Chi-restraints excluded: chain B residue   90 ASP
Chi-restraints excluded: chain B residue   94 SER
Chi-restraints excluded: chain B residue  134 ASN
Chi-restraints excluded: chain C residue    7 LYS
Chi-restraints excluded: chain C residue   24 HIS
Chi-restraints excluded: chain C residue   94 SER
Chi-restraints excluded: chain C residue  131 LYS
Chi-restraints excluded: chain C residue  134 ASN
Chi-restraints excluded: chain D residue    7 LYS
Chi-restraints excluded: chain D residue   24 HIS
Chi-restraints excluded: chain D residue   56 SER
Chi-restraints excluded: chain D residue   90 ASP
Chi-restraints excluded: chain D residue  131 LYS
Chi-restraints excluded: chain D residue  134 ASN
Chi-restraints excluded: chain E residue   24 HIS
Chi-restraints excluded: chain E residue  131 LYS
Chi-restraints excluded: chain E residue  134 ASN
Chi-restraints excluded: chain E residue  151 LYS
Chi-restraints excluded: chain F residue   24 HIS
Chi-restraints excluded: chain F residue   71 ASP
Chi-restraints excluded: chain F residue   90 ASP
Chi-restraints excluded: chain F residue  119 ASP
Chi-restraints excluded: chain F residue  134 ASN
Chi-restraints excluded: chain G residue    7 LYS
Chi-restraints excluded: chain G residue   11 GLU
Chi-restraints excluded: chain G residue   56 SER
Chi-restraints excluded: chain G residue   94 SER
Chi-restraints excluded: chain G residue  130 THR
Chi-restraints excluded: chain G residue  134 ASN
Chi-restraints excluded: chain H residue   24 HIS
Chi-restraints excluded: chain H residue   94 SER
Chi-restraints excluded: chain H residue  131 LYS
Chi-restraints excluded: chain H residue  151 LYS
Chi-restraints excluded: chain I residue    7 LYS
Chi-restraints excluded: chain I residue   24 HIS
Chi-restraints excluded: chain I residue   71 ASP
Chi-restraints excluded: chain I residue   94 SER
Chi-restraints excluded: chain I residue  108 ARG
Chi-restraints excluded: chain I residue  134 ASN
Chi-restraints excluded: chain I residue  151 LYS
Chi-restraints excluded: chain J residue   11 GLU
Chi-restraints excluded: chain J residue   56 SER
Chi-restraints excluded: chain J residue  109 LYS
Chi-restraints excluded: chain J residue  134 ASN
Chi-restraints excluded: chain K residue   56 SER
Chi-restraints excluded: chain K residue   94 SER
Chi-restraints excluded: chain K residue  131 LYS
Chi-restraints excluded: chain K residue  134 ASN
Chi-restraints excluded: chain L residue    7 LYS
Chi-restraints excluded: chain L residue   24 HIS
Chi-restraints excluded: chain L residue   56 SER
Chi-restraints excluded: chain L residue  104 SER
Chi-restraints excluded: chain L residue  134 ASN
Chi-restraints excluded: chain M residue   24 HIS
Chi-restraints excluded: chain M residue   56 SER
Chi-restraints excluded: chain M residue   94 SER
Chi-restraints excluded: chain M residue  104 SER
Chi-restraints excluded: chain M residue  134 ASN
Chi-restraints excluded: chain N residue   24 HIS
Chi-restraints excluded: chain N residue   71 ASP
Chi-restraints excluded: chain N residue   94 SER
Chi-restraints excluded: chain N residue  131 LYS
Chi-restraints excluded: chain N residue  134 ASN
Chi-restraints excluded: chain O residue   24 HIS
Chi-restraints excluded: chain O residue   56 SER
Chi-restraints excluded: chain O residue  109 LYS
Chi-restraints excluded: chain P residue  134 ASN
Chi-restraints excluded: chain Q residue   24 HIS
Chi-restraints excluded: chain Q residue   56 SER
Chi-restraints excluded: chain Q residue   71 ASP
Chi-restraints excluded: chain Q residue   94 SER
Chi-restraints excluded: chain Q residue  131 LYS
Chi-restraints excluded: chain Q residue  134 ASN
Chi-restraints excluded: chain R residue   24 HIS
Chi-restraints excluded: chain R residue  134 ASN
Chi-restraints excluded: chain S residue    7 LYS
Chi-restraints excluded: chain S residue   24 HIS
Chi-restraints excluded: chain S residue  134 ASN
Chi-restraints excluded: chain T residue   24 HIS
Chi-restraints excluded: chain T residue   71 ASP
Chi-restraints excluded: chain T residue  104 SER
Chi-restraints excluded: chain T residue  134 ASN
Chi-restraints excluded: chain U residue   11 GLU
Chi-restraints excluded: chain U residue   56 SER
Chi-restraints excluded: chain U residue   71 ASP
Chi-restraints excluded: chain U residue  134 ASN
Chi-restraints excluded: chain V residue   94 SER
Chi-restraints excluded: chain V residue  105 LEU
Chi-restraints excluded: chain W residue   24 HIS
Chi-restraints excluded: chain W residue  109 LYS
Chi-restraints excluded: chain W residue  134 ASN
Chi-restraints excluded: chain X residue   24 HIS
Chi-restraints excluded: chain X residue   56 SER
Chi-restraints excluded: chain X residue   94 SER
Chi-restraints excluded: chain X residue  131 LYS
Chi-restraints excluded: chain X residue  134 ASN
Chi-restraints excluded: chain Y residue    7 LYS
Chi-restraints excluded: chain Y residue   24 HIS
Chi-restraints excluded: chain Y residue   56 SER
Chi-restraints excluded: chain Y residue   94 SER
Chi-restraints excluded: chain Y residue  109 LYS
Chi-restraints excluded: chain Y residue  131 LYS
Chi-restraints excluded: chain Y residue  134 ASN
Chi-restraints excluded: chain Z residue   11 GLU
Chi-restraints excluded: chain Z residue   24 HIS
Chi-restraints excluded: chain Z residue   56 SER
Chi-restraints excluded: chain Z residue   90 ASP
Chi-restraints excluded: chain Z residue  134 ASN
Chi-restraints excluded: chain 0 residue    7 LYS
Chi-restraints excluded: chain 0 residue   24 HIS
Chi-restraints excluded: chain 0 residue   56 SER
Chi-restraints excluded: chain 0 residue   71 ASP
Chi-restraints excluded: chain 0 residue  134 ASN
Chi-restraints excluded: chain 0 residue  151 LYS
Chi-restraints excluded: chain 1 residue    7 LYS
Chi-restraints excluded: chain 1 residue   24 HIS
Chi-restraints excluded: chain 1 residue  134 ASN
Chi-restraints excluded: chain 2 residue   24 HIS
Chi-restraints excluded: chain 2 residue   71 ASP
Chi-restraints excluded: chain 2 residue  134 ASN
Chi-restraints excluded: chain 3 residue   94 SER
Chi-restraints excluded: chain 4 residue    7 LYS
Chi-restraints excluded: chain 4 residue   24 HIS
Chi-restraints excluded: chain 4 residue   56 SER
Chi-restraints excluded: chain 4 residue   71 ASP
Chi-restraints excluded: chain 4 residue   94 SER
Chi-restraints excluded: chain 4 residue  134 ASN
Chi-restraints excluded: chain 5 residue    7 LYS
Chi-restraints excluded: chain 5 residue   24 HIS
Chi-restraints excluded: chain 5 residue  134 ASN
Chi-restraints excluded: chain 6 residue    7 LYS
Chi-restraints excluded: chain 6 residue   11 GLU
Chi-restraints excluded: chain 6 residue  134 ASN
Chi-restraints excluded: chain 7 residue   11 GLU
Chi-restraints excluded: chain 7 residue  134 ASN
Chi-restraints excluded: chain 8 residue    7 LYS
Chi-restraints excluded: chain 8 residue   24 HIS
Chi-restraints excluded: chain 8 residue   44 ARG
Chi-restraints excluded: chain 8 residue   56 SER
Chi-restraints excluded: chain 8 residue   90 ASP
Chi-restraints excluded: chain 9 residue   24 HIS
Chi-restraints excluded: chain 9 residue   56 SER
Chi-restraints excluded: chain 9 residue   94 SER
Chi-restraints excluded: chain 9 residue  109 LYS
Chi-restraints excluded: chain 9 residue  134 ASN
Chi-restraints excluded: chain a residue   11 GLU
Chi-restraints excluded: chain a residue  134 ASN
Chi-restraints excluded: chain b residue   24 HIS
Chi-restraints excluded: chain b residue   56 SER
Chi-restraints excluded: chain b residue   94 SER
Chi-restraints excluded: chain b residue  131 LYS
Chi-restraints excluded: chain b residue  134 ASN
Chi-restraints excluded: chain c residue   56 SER
Chi-restraints excluded: chain c residue   71 ASP
Chi-restraints excluded: chain c residue   94 SER
Chi-restraints excluded: chain c residue  131 LYS
Chi-restraints excluded: chain c residue  134 ASN
Chi-restraints excluded: chain d residue   24 HIS
Chi-restraints excluded: chain d residue   56 SER
Chi-restraints excluded: chain d residue   94 SER
Chi-restraints excluded: chain d residue  104 SER
Chi-restraints excluded: chain d residue  134 ASN
Chi-restraints excluded: chain d residue  151 LYS
Chi-restraints excluded: chain e residue   24 HIS
Chi-restraints excluded: chain e residue   56 SER
Chi-restraints excluded: chain e residue  134 ASN
Chi-restraints excluded: chain e residue  151 LYS
Chi-restraints excluded: chain f residue   24 HIS
Chi-restraints excluded: chain f residue   71 ASP
Chi-restraints excluded: chain f residue  134 ASN
Chi-restraints excluded: chain g residue   24 HIS
Chi-restraints excluded: chain g residue   56 SER
Chi-restraints excluded: chain g residue  134 ASN
Chi-restraints excluded: chain h residue   11 GLU
Chi-restraints excluded: chain h residue   56 SER
Chi-restraints excluded: chain h residue  134 ASN
Chi-restraints excluded: chain i residue   56 SER
Chi-restraints excluded: chain i residue   94 SER
Chi-restraints excluded: chain i residue  134 ASN
Chi-restraints excluded: chain j residue   24 HIS
Chi-restraints excluded: chain j residue   71 ASP
Chi-restraints excluded: chain j residue  134 ASN
Chi-restraints excluded: chain k residue   24 HIS
Chi-restraints excluded: chain k residue  134 ASN
Chi-restraints excluded: chain l residue   11 GLU
Chi-restraints excluded: chain l residue   56 SER
Chi-restraints excluded: chain l residue   94 SER
Chi-restraints excluded: chain l residue  130 THR
Chi-restraints excluded: chain l residue  131 LYS
Chi-restraints excluded: chain l residue  134 ASN
Chi-restraints excluded: chain m residue   11 GLU
Chi-restraints excluded: chain m residue   56 SER
Chi-restraints excluded: chain m residue   90 ASP
Chi-restraints excluded: chain m residue  109 LYS
Chi-restraints excluded: chain n residue   24 HIS
Chi-restraints excluded: chain n residue   71 ASP
Chi-restraints excluded: chain n residue   94 SER
Chi-restraints excluded: chain n residue  130 THR
Chi-restraints excluded: chain n residue  134 ASN
Chi-restraints excluded: chain o residue   24 HIS
Chi-restraints excluded: chain o residue   56 SER
Chi-restraints excluded: chain o residue   90 ASP
Chi-restraints excluded: chain o residue   94 SER
Chi-restraints excluded: chain o residue  131 LYS
Chi-restraints excluded: chain o residue  134 ASN
Chi-restraints excluded: chain o residue  151 LYS
Chi-restraints excluded: chain p residue   24 HIS
Chi-restraints excluded: chain p residue   44 ARG
Chi-restraints excluded: chain p residue   71 ASP
Chi-restraints excluded: chain p residue   94 SER
Chi-restraints excluded: chain p residue  134 ASN
Chi-restraints excluded: chain p residue  151 LYS
Chi-restraints excluded: chain q residue    7 LYS
Chi-restraints excluded: chain q residue   11 GLU
Chi-restraints excluded: chain q residue   56 SER
Chi-restraints excluded: chain q residue  134 ASN
Chi-restraints excluded: chain r residue   24 HIS
Chi-restraints excluded: chain r residue   56 SER
Chi-restraints excluded: chain r residue   94 SER
Chi-restraints excluded: chain r residue  134 ASN
Chi-restraints excluded: chain s residue   11 GLU
Chi-restraints excluded: chain s residue   24 HIS
Chi-restraints excluded: chain s residue   94 SER
Chi-restraints excluded: chain s residue  131 LYS
Chi-restraints excluded: chain t residue   24 HIS
Chi-restraints excluded: chain t residue  151 LYS
Chi-restraints excluded: chain u residue   24 HIS
Chi-restraints excluded: chain u residue   71 ASP
Chi-restraints excluded: chain u residue  119 ASP
Chi-restraints excluded: chain u residue  134 ASN
Chi-restraints excluded: chain v residue  131 LYS
Chi-restraints excluded: chain v residue  134 ASN
Chi-restraints excluded: chain w residue   24 HIS
Chi-restraints excluded: chain w residue   56 SER
Chi-restraints excluded: chain w residue  131 LYS
Chi-restraints excluded: chain w residue  134 ASN
Chi-restraints excluded: chain x residue    7 LYS
Chi-restraints excluded: chain x residue   24 HIS
Chi-restraints excluded: chain x residue  134 ASN
Chi-restraints excluded: chain x residue  135 LYS
Rotamers are restrained with sigma=3.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 900
   random chunks:
   chunk 292 optimal weight:   10.0000
   chunk 783 optimal weight:    2.9990
   chunk 171 optimal weight:    1.9990
   chunk 510 optimal weight:   10.0000
   chunk 214 optimal weight:    9.9990
   chunk 870 optimal weight:    5.9990
   chunk 722 optimal weight:   10.0000
   chunk 403 optimal weight:    4.9990
   chunk 72 optimal weight:    0.4980
   chunk 288 optimal weight:    0.8980
   chunk 457 optimal weight:    9.9990
   overall best weight:    2.2786

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

Flipped N/Q/H residues before XYZ refinement:
G  24 HIS
J  24 HIS
M  23 ASN
P  24 HIS
U  24 HIS
l  24 HIS
q  24 HIS
v  24 HIS

Total number of N/Q/H flips: 8

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8685
moved from start:          0.2468

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.028  71640  Z= 0.230
  Angle     :  0.509   8.651  96780  Z= 0.277
  Chirality :  0.045   0.130  11220
  Planarity :  0.005   0.045  12480
  Dihedral  :  3.993  20.091   9960
  Min Nonbonded Distance : 2.113

Molprobity Statistics.
  All-atom Clashscore : 7.45
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  3.29 %
    Favored  : 96.71 %
  Rotamer:
    Outliers :  3.72 %
    Allowed  : 13.54 %
    Favored  : 82.74 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  1.75 (0.10), residues: 9120
  helix:  1.96 (0.08), residues: 4740
  sheet:  0.84 (0.11), residues: 2220
  loop : -0.21 (0.15), residues: 2160

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.015   0.002   TRP t 137 
 HIS   0.013   0.002   HIS v  24 
 PHE   0.020   0.002   PHE W 113 
 TYR   0.008   0.001   TYR N  91 
 ARG   0.008   0.000   ARG B  29 

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

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

  18240 Ramachandran restraints generated.
    9120 Oldfield, 0 Emsley, 9120 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  18240 Ramachandran restraints generated.
    9120 Oldfield, 0 Emsley, 9120 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  1783 residues out of total 7200 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 268
    poor density    : 1515
  time to evaluate  : 9.835 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A    7 LYS cc_start: 0.8520 (OUTLIER) cc_final: 0.7647 (mmpt)
REVERT: A  122 GLU cc_start: 0.7814 (tm-30) cc_final: 0.7479 (tm-30)
REVERT: B  122 GLU cc_start: 0.7855 (tm-30) cc_final: 0.7597 (tm-30)
REVERT: C    7 LYS cc_start: 0.8565 (OUTLIER) cc_final: 0.8333 (mmpt)
REVERT: C  109 LYS cc_start: 0.8908 (OUTLIER) cc_final: 0.8476 (ttpt)
REVERT: D    7 LYS cc_start: 0.8658 (OUTLIER) cc_final: 0.8019 (mmpt)
REVERT: D   14 ARG cc_start: 0.8342 (mpp80) cc_final: 0.8136 (mpp80)
REVERT: D   73 ASP cc_start: 0.8940 (m-30) cc_final: 0.8669 (m-30)
REVERT: D  134 ASN cc_start: 0.8262 (OUTLIER) cc_final: 0.7979 (p0)
REVERT: E   98 LYS cc_start: 0.9003 (ttpt) cc_final: 0.8703 (ttpt)
REVERT: E  134 ASN cc_start: 0.8108 (OUTLIER) cc_final: 0.7819 (p0)
REVERT: F  134 ASN cc_start: 0.8258 (OUTLIER) cc_final: 0.7762 (p0)
REVERT: G    7 LYS cc_start: 0.8600 (OUTLIER) cc_final: 0.8257 (mmpt)
REVERT: G   47 ASP cc_start: 0.8504 (m-30) cc_final: 0.8143 (m-30)
REVERT: G  134 ASN cc_start: 0.8176 (OUTLIER) cc_final: 0.7819 (p0)
REVERT: H   47 ASP cc_start: 0.8523 (m-30) cc_final: 0.8247 (m-30)
REVERT: I    7 LYS cc_start: 0.8672 (OUTLIER) cc_final: 0.8425 (mmpt)
REVERT: I  108 ARG cc_start: 0.8777 (OUTLIER) cc_final: 0.8382 (mtm180)
REVERT: I  122 GLU cc_start: 0.7823 (tm-30) cc_final: 0.7477 (tm-30)
REVERT: I  134 ASN cc_start: 0.7831 (OUTLIER) cc_final: 0.7546 (p0)
REVERT: J  151 LYS cc_start: 0.9323 (OUTLIER) cc_final: 0.8994 (mtmm)
REVERT: L    7 LYS cc_start: 0.8587 (OUTLIER) cc_final: 0.7924 (mmpt)
REVERT: M  106 GLU cc_start: 0.7945 (tp30) cc_final: 0.7661 (tp30)
REVERT: M  134 ASN cc_start: 0.7917 (OUTLIER) cc_final: 0.7571 (p0)
REVERT: N   98 LYS cc_start: 0.8917 (ttpt) cc_final: 0.8707 (ttpt)
REVERT: N  108 ARG cc_start: 0.8727 (OUTLIER) cc_final: 0.8361 (mtm180)
REVERT: O  109 LYS cc_start: 0.9133 (OUTLIER) cc_final: 0.8734 (ttpt)
REVERT: Q  122 GLU cc_start: 0.7660 (tm-30) cc_final: 0.7387 (tm-30)
REVERT: Q  134 ASN cc_start: 0.8115 (OUTLIER) cc_final: 0.7712 (p0)
REVERT: Q  135 LYS cc_start: 0.9044 (mmtt) cc_final: 0.8839 (mptt)
REVERT: S    7 LYS cc_start: 0.8570 (OUTLIER) cc_final: 0.7797 (mmpt)
REVERT: S  122 GLU cc_start: 0.7653 (tm-30) cc_final: 0.7068 (tm-30)
REVERT: S  126 GLU cc_start: 0.8041 (mt-10) cc_final: 0.7738 (mt-10)
REVERT: U  134 ASN cc_start: 0.8153 (OUTLIER) cc_final: 0.7866 (p0)
REVERT: V   44 ARG cc_start: 0.8534 (mtp85) cc_final: 0.8331 (mtp85)
REVERT: W   44 ARG cc_start: 0.8403 (mtp85) cc_final: 0.8079 (mtp85)
REVERT: W   47 ASP cc_start: 0.8493 (m-30) cc_final: 0.8198 (m-30)
REVERT: W  109 LYS cc_start: 0.8825 (OUTLIER) cc_final: 0.8499 (ttpt)
REVERT: W  135 LYS cc_start: 0.8933 (OUTLIER) cc_final: 0.8624 (mmpt)
REVERT: W  146 MET cc_start: 0.9090 (mmm) cc_final: 0.8824 (mmm)
REVERT: X  134 ASN cc_start: 0.8177 (OUTLIER) cc_final: 0.7902 (p0)
REVERT: Y    7 LYS cc_start: 0.8674 (OUTLIER) cc_final: 0.8036 (mmpt)
REVERT: Y   44 ARG cc_start: 0.8419 (mtp85) cc_final: 0.8177 (mtp85)
REVERT: Y  109 LYS cc_start: 0.8926 (OUTLIER) cc_final: 0.8546 (ttpt)
REVERT: 0    7 LYS cc_start: 0.8608 (OUTLIER) cc_final: 0.8022 (mmpt)
REVERT: 0  134 ASN cc_start: 0.8167 (OUTLIER) cc_final: 0.7742 (p0)
REVERT: 1    7 LYS cc_start: 0.8670 (OUTLIER) cc_final: 0.8028 (mmpt)
REVERT: 1   14 ARG cc_start: 0.8489 (mpp80) cc_final: 0.8135 (mpp80)
REVERT: 1   47 ASP cc_start: 0.8443 (m-30) cc_final: 0.8149 (m-30)
REVERT: 1  146 MET cc_start: 0.9012 (mmm) cc_final: 0.8803 (mmm)
REVERT: 2  122 GLU cc_start: 0.7787 (tm-30) cc_final: 0.7499 (tm-30)
REVERT: 4    7 LYS cc_start: 0.8587 (OUTLIER) cc_final: 0.8001 (mmpt)
REVERT: 4  134 ASN cc_start: 0.8167 (OUTLIER) cc_final: 0.7751 (p0)
REVERT: 5   14 ARG cc_start: 0.8506 (mpp80) cc_final: 0.8182 (mpp80)
REVERT: 5   47 ASP cc_start: 0.8445 (m-30) cc_final: 0.8152 (m-30)
REVERT: 5  146 MET cc_start: 0.9028 (mmm) cc_final: 0.8698 (mmm)
REVERT: 6    7 LYS cc_start: 0.8633 (OUTLIER) cc_final: 0.8113 (mmpt)
REVERT: 6   44 ARG cc_start: 0.8479 (mtp85) cc_final: 0.8191 (mtp180)
REVERT: 7  134 ASN cc_start: 0.7934 (OUTLIER) cc_final: 0.7627 (p0)
REVERT: 8    7 LYS cc_start: 0.8646 (OUTLIER) cc_final: 0.7902 (mmpt)
REVERT: 9    7 LYS cc_start: 0.8674 (OUTLIER) cc_final: 0.8036 (mmpt)
REVERT: 9  146 MET cc_start: 0.9056 (mmm) cc_final: 0.8703 (mmm)
REVERT: a  134 ASN cc_start: 0.7924 (OUTLIER) cc_final: 0.7613 (p0)
REVERT: c  122 GLU cc_start: 0.7668 (tm-30) cc_final: 0.7361 (tm-30)
REVERT: c  134 ASN cc_start: 0.7949 (OUTLIER) cc_final: 0.7620 (p0)
REVERT: d   44 ARG cc_start: 0.8499 (mtp85) cc_final: 0.8245 (mtm110)
REVERT: d  106 GLU cc_start: 0.7934 (tp30) cc_final: 0.7637 (tp30)
REVERT: d  134 ASN cc_start: 0.7937 (OUTLIER) cc_final: 0.7588 (p0)
REVERT: e  146 MET cc_start: 0.9090 (mmm) cc_final: 0.8819 (mmm)
REVERT: e  151 LYS cc_start: 0.9338 (OUTLIER) cc_final: 0.9075 (mtmm)
REVERT: g  146 MET cc_start: 0.9068 (mmm) cc_final: 0.8752 (mmm)
REVERT: g  151 LYS cc_start: 0.9331 (OUTLIER) cc_final: 0.9008 (mtmm)
REVERT: h  134 ASN cc_start: 0.8211 (OUTLIER) cc_final: 0.7922 (p0)
REVERT: j   47 ASP cc_start: 0.8438 (m-30) cc_final: 0.8037 (m-30)
REVERT: j  146 MET cc_start: 0.9136 (mmm) cc_final: 0.8821 (mmm)
REVERT: l   47 ASP cc_start: 0.8337 (m-30) cc_final: 0.8055 (m-30)
REVERT: l  134 ASN cc_start: 0.8119 (OUTLIER) cc_final: 0.7758 (p0)
REVERT: m  109 LYS cc_start: 0.8963 (OUTLIER) cc_final: 0.8619 (ttpt)
REVERT: m  134 ASN cc_start: 0.8020 (OUTLIER) cc_final: 0.7648 (p0)
REVERT: o  122 GLU cc_start: 0.7720 (tm-30) cc_final: 0.7426 (tm-30)
REVERT: o  134 ASN cc_start: 0.8196 (OUTLIER) cc_final: 0.7910 (p0)
REVERT: p  122 GLU cc_start: 0.7780 (tm-30) cc_final: 0.7444 (tm-30)
REVERT: p  134 ASN cc_start: 0.8035 (OUTLIER) cc_final: 0.7619 (p0)
REVERT: q    7 LYS cc_start: 0.8572 (OUTLIER) cc_final: 0.7798 (mmpt)
REVERT: r  126 GLU cc_start: 0.8040 (mt-10) cc_final: 0.7784 (mt-10)
REVERT: s  122 GLU cc_start: 0.7879 (tm-30) cc_final: 0.7514 (tm-30)
REVERT: s  134 ASN cc_start: 0.8246 (OUTLIER) cc_final: 0.8016 (p0)
REVERT: t   98 LYS cc_start: 0.8975 (ttpt) cc_final: 0.8673 (ttpt)
REVERT: u  122 GLU cc_start: 0.7762 (tm-30) cc_final: 0.7551 (tm-30)
REVERT: w  134 ASN cc_start: 0.8243 (OUTLIER) cc_final: 0.7951 (p0)
REVERT: x    7 LYS cc_start: 0.8588 (OUTLIER) cc_final: 0.7704 (mmpt)
REVERT: x  122 GLU cc_start: 0.7783 (tm-30) cc_final: 0.7450 (tm-30)
  outliers start: 268
  outliers final: 162
  residues processed: 1588
  average time/residue: 1.6057
  time to fit residues: 3313.1804
Evaluate side-chains
  1652 residues out of total 7200 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 211
    poor density    : 1441
  time to evaluate  : 6.458 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue    7 LYS
Chi-restraints excluded: chain A residue   24 HIS
Chi-restraints excluded: chain A residue   56 SER
Chi-restraints excluded: chain A residue  134 ASN
Chi-restraints excluded: chain B residue   24 HIS
Chi-restraints excluded: chain B residue   56 SER
Chi-restraints excluded: chain B residue  134 ASN
Chi-restraints excluded: chain C residue    7 LYS
Chi-restraints excluded: chain C residue   24 HIS
Chi-restraints excluded: chain C residue   94 SER
Chi-restraints excluded: chain C residue  109 LYS
Chi-restraints excluded: chain C residue  134 ASN
Chi-restraints excluded: chain D residue    7 LYS
Chi-restraints excluded: chain D residue   24 HIS
Chi-restraints excluded: chain D residue   56 SER
Chi-restraints excluded: chain D residue  134 ASN
Chi-restraints excluded: chain E residue   24 HIS
Chi-restraints excluded: chain E residue   56 SER
Chi-restraints excluded: chain E residue  131 LYS
Chi-restraints excluded: chain E residue  134 ASN
Chi-restraints excluded: chain E residue  151 LYS
Chi-restraints excluded: chain F residue   24 HIS
Chi-restraints excluded: chain F residue   90 ASP
Chi-restraints excluded: chain F residue  119 ASP
Chi-restraints excluded: chain F residue  134 ASN
Chi-restraints excluded: chain G residue    7 LYS
Chi-restraints excluded: chain G residue   56 SER
Chi-restraints excluded: chain G residue   94 SER
Chi-restraints excluded: chain G residue  134 ASN
Chi-restraints excluded: chain H residue   24 HIS
Chi-restraints excluded: chain H residue   94 SER
Chi-restraints excluded: chain I residue    7 LYS
Chi-restraints excluded: chain I residue   24 HIS
Chi-restraints excluded: chain I residue   94 SER
Chi-restraints excluded: chain I residue  108 ARG
Chi-restraints excluded: chain I residue  134 ASN
Chi-restraints excluded: chain J residue   11 GLU
Chi-restraints excluded: chain J residue   56 SER
Chi-restraints excluded: chain J residue  134 ASN
Chi-restraints excluded: chain J residue  151 LYS
Chi-restraints excluded: chain K residue   56 SER
Chi-restraints excluded: chain K residue   94 SER
Chi-restraints excluded: chain K residue  134 ASN
Chi-restraints excluded: chain L residue    7 LYS
Chi-restraints excluded: chain L residue   24 HIS
Chi-restraints excluded: chain L residue   56 SER
Chi-restraints excluded: chain L residue  104 SER
Chi-restraints excluded: chain L residue  134 ASN
Chi-restraints excluded: chain M residue   24 HIS
Chi-restraints excluded: chain M residue   56 SER
Chi-restraints excluded: chain M residue  134 ASN
Chi-restraints excluded: chain N residue   24 HIS
Chi-restraints excluded: chain N residue   94 SER
Chi-restraints excluded: chain N residue  108 ARG
Chi-restraints excluded: chain N residue  134 ASN
Chi-restraints excluded: chain O residue   24 HIS
Chi-restraints excluded: chain O residue   56 SER
Chi-restraints excluded: chain O residue  109 LYS
Chi-restraints excluded: chain P residue   56 SER
Chi-restraints excluded: chain Q residue   24 HIS
Chi-restraints excluded: chain Q residue   56 SER
Chi-restraints excluded: chain Q residue   90 ASP
Chi-restraints excluded: chain Q residue   94 SER
Chi-restraints excluded: chain Q residue  134 ASN
Chi-restraints excluded: chain R residue   24 HIS
Chi-restraints excluded: chain R residue  134 ASN
Chi-restraints excluded: chain S residue    7 LYS
Chi-restraints excluded: chain S residue   11 GLU
Chi-restraints excluded: chain S residue   24 HIS
Chi-restraints excluded: chain S residue  134 ASN
Chi-restraints excluded: chain T residue   24 HIS
Chi-restraints excluded: chain T residue  104 SER
Chi-restraints excluded: chain T residue  134 ASN
Chi-restraints excluded: chain U residue   11 GLU
Chi-restraints excluded: chain U residue   56 SER
Chi-restraints excluded: chain U residue  134 ASN
Chi-restraints excluded: chain V residue  105 LEU
Chi-restraints excluded: chain W residue   11 GLU
Chi-restraints excluded: chain W residue   24 HIS
Chi-restraints excluded: chain W residue  109 LYS
Chi-restraints excluded: chain W residue  135 LYS
Chi-restraints excluded: chain X residue   24 HIS
Chi-restraints excluded: chain X residue   56 SER
Chi-restraints excluded: chain X residue   94 SER
Chi-restraints excluded: chain X residue  134 ASN
Chi-restraints excluded: chain X residue  151 LYS
Chi-restraints excluded: chain Y residue    7 LYS
Chi-restraints excluded: chain Y residue   24 HIS
Chi-restraints excluded: chain Y residue   56 SER
Chi-restraints excluded: chain Y residue   94 SER
Chi-restraints excluded: chain Y residue  109 LYS
Chi-restraints excluded: chain Y residue  134 ASN
Chi-restraints excluded: chain Z residue   24 HIS
Chi-restraints excluded: chain Z residue   56 SER
Chi-restraints excluded: chain Z residue   90 ASP
Chi-restraints excluded: chain Z residue  134 ASN
Chi-restraints excluded: chain 0 residue    7 LYS
Chi-restraints excluded: chain 0 residue   24 HIS
Chi-restraints excluded: chain 0 residue   56 SER
Chi-restraints excluded: chain 0 residue   71 ASP
Chi-restraints excluded: chain 0 residue   94 SER
Chi-restraints excluded: chain 0 residue  119 ASP
Chi-restraints excluded: chain 0 residue  134 ASN
Chi-restraints excluded: chain 1 residue    7 LYS
Chi-restraints excluded: chain 1 residue   24 HIS
Chi-restraints excluded: chain 1 residue  134 ASN
Chi-restraints excluded: chain 2 residue   24 HIS
Chi-restraints excluded: chain 2 residue  134 ASN
Chi-restraints excluded: chain 3 residue   11 GLU
Chi-restraints excluded: chain 3 residue   94 SER
Chi-restraints excluded: chain 4 residue    7 LYS
Chi-restraints excluded: chain 4 residue   24 HIS
Chi-restraints excluded: chain 4 residue   56 SER
Chi-restraints excluded: chain 4 residue   71 ASP
Chi-restraints excluded: chain 4 residue   94 SER
Chi-restraints excluded: chain 4 residue  134 ASN
Chi-restraints excluded: chain 5 residue   24 HIS
Chi-restraints excluded: chain 5 residue  134 ASN
Chi-restraints excluded: chain 6 residue    7 LYS
Chi-restraints excluded: chain 6 residue   56 SER
Chi-restraints excluded: chain 7 residue   11 GLU
Chi-restraints excluded: chain 7 residue  134 ASN
Chi-restraints excluded: chain 8 residue    7 LYS
Chi-restraints excluded: chain 8 residue   24 HIS
Chi-restraints excluded: chain 8 residue   56 SER
Chi-restraints excluded: chain 8 residue   90 ASP
Chi-restraints excluded: chain 9 residue    7 LYS
Chi-restraints excluded: chain 9 residue   24 HIS
Chi-restraints excluded: chain 9 residue   56 SER
Chi-restraints excluded: chain 9 residue   94 SER
Chi-restraints excluded: chain 9 residue  134 ASN
Chi-restraints excluded: chain a residue   11 GLU
Chi-restraints excluded: chain a residue  134 ASN
Chi-restraints excluded: chain b residue   24 HIS
Chi-restraints excluded: chain b residue   56 SER
Chi-restraints excluded: chain b residue   94 SER
Chi-restraints excluded: chain b residue  134 ASN
Chi-restraints excluded: chain c residue   56 SER
Chi-restraints excluded: chain c residue   94 SER
Chi-restraints excluded: chain c residue  134 ASN
Chi-restraints excluded: chain d residue   24 HIS
Chi-restraints excluded: chain d residue   56 SER
Chi-restraints excluded: chain d residue  104 SER
Chi-restraints excluded: chain d residue  134 ASN
Chi-restraints excluded: chain e residue   24 HIS
Chi-restraints excluded: chain e residue   56 SER
Chi-restraints excluded: chain e residue  151 LYS
Chi-restraints excluded: chain f residue   24 HIS
Chi-restraints excluded: chain f residue   71 ASP
Chi-restraints excluded: chain g residue   24 HIS
Chi-restraints excluded: chain g residue   56 SER
Chi-restraints excluded: chain g residue   90 ASP
Chi-restraints excluded: chain g residue  134 ASN
Chi-restraints excluded: chain g residue  151 LYS
Chi-restraints excluded: chain h residue   11 GLU
Chi-restraints excluded: chain h residue   56 SER
Chi-restraints excluded: chain h residue  105 LEU
Chi-restraints excluded: chain h residue  134 ASN
Chi-restraints excluded: chain h residue  151 LYS
Chi-restraints excluded: chain i residue   56 SER
Chi-restraints excluded: chain i residue  134 ASN
Chi-restraints excluded: chain j residue   24 HIS
Chi-restraints excluded: chain j residue  134 ASN
Chi-restraints excluded: chain k residue   24 HIS
Chi-restraints excluded: chain k residue  134 ASN
Chi-restraints excluded: chain l residue   56 SER
Chi-restraints excluded: chain l residue   94 SER
Chi-restraints excluded: chain l residue  130 THR
Chi-restraints excluded: chain l residue  134 ASN
Chi-restraints excluded: chain m residue   56 SER
Chi-restraints excluded: chain m residue   90 ASP
Chi-restraints excluded: chain m residue  109 LYS
Chi-restraints excluded: chain m residue  134 ASN
Chi-restraints excluded: chain n residue   24 HIS
Chi-restraints excluded: chain n residue   94 SER
Chi-restraints excluded: chain n residue  134 ASN
Chi-restraints excluded: chain o residue   24 HIS
Chi-restraints excluded: chain o residue   56 SER
Chi-restraints excluded: chain o residue   90 ASP
Chi-restraints excluded: chain o residue   94 SER
Chi-restraints excluded: chain o residue  134 ASN
Chi-restraints excluded: chain o residue  151 LYS
Chi-restraints excluded: chain p residue   24 HIS
Chi-restraints excluded: chain p residue   44 ARG
Chi-restraints excluded: chain p residue   94 SER
Chi-restraints excluded: chain p residue  134 ASN
Chi-restraints excluded: chain p residue  151 LYS
Chi-restraints excluded: chain q residue    7 LYS
Chi-restraints excluded: chain q residue   56 SER
Chi-restraints excluded: chain q residue  134 ASN
Chi-restraints excluded: chain r residue   24 HIS
Chi-restraints excluded: chain r residue   56 SER
Chi-restraints excluded: chain r residue   94 SER
Chi-restraints excluded: chain r residue  134 ASN
Chi-restraints excluded: chain s residue   11 GLU
Chi-restraints excluded: chain s residue   24 HIS
Chi-restraints excluded: chain s residue  134 ASN
Chi-restraints excluded: chain t residue   24 HIS
Chi-restraints excluded: chain t residue   56 SER
Chi-restraints excluded: chain t residue  104 SER
Chi-restraints excluded: chain u residue   24 HIS
Chi-restraints excluded: chain u residue  119 ASP
Chi-restraints excluded: chain u residue  134 ASN
Chi-restraints excluded: chain v residue   94 SER
Chi-restraints excluded: chain v residue  134 ASN
Chi-restraints excluded: chain w residue   24 HIS
Chi-restraints excluded: chain w residue   56 SER
Chi-restraints excluded: chain w residue  134 ASN
Chi-restraints excluded: chain x residue    7 LYS
Chi-restraints excluded: chain x residue   24 HIS
Chi-restraints excluded: chain x residue  135 LYS
Rotamers are restrained with sigma=2.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 900
   random chunks:
   chunk 839 optimal weight:    0.9990
   chunk 98 optimal weight:    0.9990
   chunk 496 optimal weight:    7.9990
   chunk 635 optimal weight:    0.9990
   chunk 492 optimal weight:    0.9990
   chunk 733 optimal weight:    7.9990
   chunk 486 optimal weight:    8.9990
   chunk 867 optimal weight:    5.9990
   chunk 542 optimal weight:    9.9990
   chunk 528 optimal weight:    6.9990
   chunk 400 optimal weight:    7.9990
   overall best weight:    1.9990

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

Flipped N/Q/H residues before XYZ refinement:
G  24 HIS
J  24 HIS
h 102 ASN
l  24 HIS
q  24 HIS

Total number of N/Q/H flips: 5

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8677
moved from start:          0.2551

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.003   0.029  71640  Z= 0.210
  Angle     :  0.499   8.547  96780  Z= 0.271
  Chirality :  0.045   0.129  11220
  Planarity :  0.004   0.044  12480
  Dihedral  :  3.902  19.380   9960
  Min Nonbonded Distance : 2.115

Molprobity Statistics.
  All-atom Clashscore : 7.33
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  3.28 %
    Favored  : 96.72 %
  Rotamer:
    Outliers :  3.61 %
    Allowed  : 14.33 %
    Favored  : 82.06 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  1.80 (0.10), residues: 9120
  helix:  2.01 (0.08), residues: 4740
  sheet:  0.87 (0.11), residues: 2220
  loop : -0.23 (0.15), residues: 2160

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.018   0.002   TRP H 137 
 HIS   0.011   0.002   HIS o  24 
 PHE   0.019   0.002   PHE W 113 
 TYR   0.009   0.001   TYR n  91 
 ARG   0.008   0.000   ARG B  29 

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

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

  18240 Ramachandran restraints generated.
    9120 Oldfield, 0 Emsley, 9120 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  18240 Ramachandran restraints generated.
    9120 Oldfield, 0 Emsley, 9120 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  1771 residues out of total 7200 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 260
    poor density    : 1511
  time to evaluate  : 7.302 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A    7 LYS cc_start: 0.8493 (OUTLIER) cc_final: 0.7624 (mmpt)
REVERT: A  122 GLU cc_start: 0.7805 (tm-30) cc_final: 0.7458 (tm-30)
REVERT: B  122 GLU cc_start: 0.7846 (tm-30) cc_final: 0.7607 (tm-30)
REVERT: C  109 LYS cc_start: 0.8939 (OUTLIER) cc_final: 0.8482 (ttpt)
REVERT: D    7 LYS cc_start: 0.8623 (OUTLIER) cc_final: 0.7986 (mmpt)
REVERT: D   14 ARG cc_start: 0.8327 (mpp80) cc_final: 0.8116 (mpp80)
REVERT: D   73 ASP cc_start: 0.8918 (m-30) cc_final: 0.8643 (m-30)
REVERT: D  134 ASN cc_start: 0.8165 (OUTLIER) cc_final: 0.7891 (p0)
REVERT: E   98 LYS cc_start: 0.9006 (ttpt) cc_final: 0.8722 (ttpt)
REVERT: E  134 ASN cc_start: 0.7980 (OUTLIER) cc_final: 0.7749 (p0)
REVERT: F  122 GLU cc_start: 0.7622 (tm-30) cc_final: 0.7411 (tm-30)
REVERT: F  134 ASN cc_start: 0.8121 (OUTLIER) cc_final: 0.7647 (p0)
REVERT: G    7 LYS cc_start: 0.8567 (OUTLIER) cc_final: 0.8217 (mmpt)
REVERT: G   47 ASP cc_start: 0.8448 (m-30) cc_final: 0.8192 (m-30)
REVERT: G  134 ASN cc_start: 0.7973 (OUTLIER) cc_final: 0.7628 (p0)
REVERT: H   44 ARG cc_start: 0.8450 (mtm110) cc_final: 0.7880 (mtp85)
REVERT: H   47 ASP cc_start: 0.8532 (m-30) cc_final: 0.8299 (m-30)
REVERT: I    7 LYS cc_start: 0.8642 (OUTLIER) cc_final: 0.8377 (mmpt)
REVERT: I  108 ARG cc_start: 0.8791 (OUTLIER) cc_final: 0.8383 (mtm180)
REVERT: I  122 GLU cc_start: 0.7826 (tm-30) cc_final: 0.7497 (tm-30)
REVERT: I  134 ASN cc_start: 0.7766 (OUTLIER) cc_final: 0.7537 (p0)
REVERT: J  151 LYS cc_start: 0.9349 (OUTLIER) cc_final: 0.9012 (mtmm)
REVERT: L    7 LYS cc_start: 0.8540 (OUTLIER) cc_final: 0.7872 (mmpt)
REVERT: M  106 GLU cc_start: 0.7939 (tp30) cc_final: 0.7693 (tp30)
REVERT: M  122 GLU cc_start: 0.7888 (tm-30) cc_final: 0.7594 (tm-30)
REVERT: M  134 ASN cc_start: 0.7765 (OUTLIER) cc_final: 0.7456 (p0)
REVERT: N  108 ARG cc_start: 0.8722 (OUTLIER) cc_final: 0.8362 (mtm180)
REVERT: O  109 LYS cc_start: 0.9139 (OUTLIER) cc_final: 0.8740 (ttpt)
REVERT: O  134 ASN cc_start: 0.8136 (OUTLIER) cc_final: 0.7831 (p0)
REVERT: Q  122 GLU cc_start: 0.7636 (tm-30) cc_final: 0.7341 (tm-30)
REVERT: Q  134 ASN cc_start: 0.7938 (OUTLIER) cc_final: 0.7605 (p0)
REVERT: Q  135 LYS cc_start: 0.9026 (mmtt) cc_final: 0.8803 (mptt)
REVERT: S    7 LYS cc_start: 0.8556 (OUTLIER) cc_final: 0.7784 (mmpt)
REVERT: S  122 GLU cc_start: 0.7649 (tm-30) cc_final: 0.7077 (tm-30)
REVERT: S  126 GLU cc_start: 0.8013 (mt-10) cc_final: 0.7677 (mt-10)
REVERT: S  134 ASN cc_start: 0.8043 (OUTLIER) cc_final: 0.7710 (p0)
REVERT: U  134 ASN cc_start: 0.8070 (OUTLIER) cc_final: 0.7778 (p0)
REVERT: V  122 GLU cc_start: 0.7974 (OUTLIER) cc_final: 0.7749 (tm-30)
REVERT: W   44 ARG cc_start: 0.8403 (mtp85) cc_final: 0.8108 (mtp85)
REVERT: W   47 ASP cc_start: 0.8490 (m-30) cc_final: 0.8192 (m-30)
REVERT: W  109 LYS cc_start: 0.8825 (OUTLIER) cc_final: 0.8512 (ttpt)
REVERT: W  135 LYS cc_start: 0.8911 (OUTLIER) cc_final: 0.8633 (mmpt)
REVERT: W  146 MET cc_start: 0.9071 (mmm) cc_final: 0.8782 (mmm)
REVERT: X  122 GLU cc_start: 0.7712 (tm-30) cc_final: 0.7496 (tm-30)
REVERT: X  126 GLU cc_start: 0.8106 (mt-10) cc_final: 0.7858 (mt-10)
REVERT: X  134 ASN cc_start: 0.8002 (OUTLIER) cc_final: 0.7759 (p0)
REVERT: Y    7 LYS cc_start: 0.8640 (OUTLIER) cc_final: 0.8008 (mmpt)
REVERT: Y  109 LYS cc_start: 0.8920 (OUTLIER) cc_final: 0.8555 (ttpt)
REVERT: Y  146 MET cc_start: 0.9212 (mmm) cc_final: 0.8912 (mmt)
REVERT: 0    7 LYS cc_start: 0.8575 (OUTLIER) cc_final: 0.8001 (mmpt)
REVERT: 0  134 ASN cc_start: 0.7993 (OUTLIER) cc_final: 0.7753 (p0)
REVERT: 1    7 LYS cc_start: 0.8646 (OUTLIER) cc_final: 0.7985 (mmpt)
REVERT: 1   14 ARG cc_start: 0.8487 (mpp80) cc_final: 0.8143 (mpp80)
REVERT: 1   47 ASP cc_start: 0.8440 (m-30) cc_final: 0.8142 (m-30)
REVERT: 1  146 MET cc_start: 0.9027 (mmm) cc_final: 0.8802 (mmm)
REVERT: 2  122 GLU cc_start: 0.7844 (tm-30) cc_final: 0.7532 (tm-30)
REVERT: 4   44 ARG cc_start: 0.8428 (mtp85) cc_final: 0.8224 (mtp180)
REVERT: 4  134 ASN cc_start: 0.7974 (OUTLIER) cc_final: 0.7745 (p0)
REVERT: 5    7 LYS cc_start: 0.8651 (OUTLIER) cc_final: 0.8040 (mtpt)
REVERT: 5   14 ARG cc_start: 0.8506 (mpp80) cc_final: 0.8190 (mpp80)
REVERT: 5   47 ASP cc_start: 0.8440 (m-30) cc_final: 0.8165 (m-30)
REVERT: 6    7 LYS cc_start: 0.8592 (OUTLIER) cc_final: 0.8068 (mmpt)
REVERT: 6   44 ARG cc_start: 0.8509 (mtp85) cc_final: 0.8223 (mtp180)
REVERT: 7  122 GLU cc_start: 0.7825 (tm-30) cc_final: 0.7608 (tm-30)
REVERT: 7  134 ASN cc_start: 0.7826 (OUTLIER) cc_final: 0.7462 (p0)
REVERT: 8    7 LYS cc_start: 0.8602 (OUTLIER) cc_final: 0.7851 (mmpt)
REVERT: 9    7 LYS cc_start: 0.8654 (OUTLIER) cc_final: 0.8036 (mtpt)
REVERT: 9  146 MET cc_start: 0.9035 (mmm) cc_final: 0.8705 (mmm)
REVERT: a  134 ASN cc_start: 0.7802 (OUTLIER) cc_final: 0.7488 (p0)
REVERT: c  122 GLU cc_start: 0.7658 (tm-30) cc_final: 0.7398 (tm-30)
REVERT: c  134 ASN cc_start: 0.7751 (OUTLIER) cc_final: 0.7479 (p0)
REVERT: d   44 ARG cc_start: 0.8504 (mtp85) cc_final: 0.8290 (mtm110)
REVERT: d  106 GLU cc_start: 0.7944 (tp30) cc_final: 0.7656 (tp30)
REVERT: d  134 ASN cc_start: 0.7829 (OUTLIER) cc_final: 0.7499 (p0)
REVERT: e  146 MET cc_start: 0.9071 (mmm) cc_final: 0.8779 (mmm)
REVERT: e  151 LYS cc_start: 0.9329 (OUTLIER) cc_final: 0.9040 (mtmm)
REVERT: g  146 MET cc_start: 0.9053 (mmm) cc_final: 0.8733 (mmm)
REVERT: g  151 LYS cc_start: 0.9313 (OUTLIER) cc_final: 0.8979 (mtmm)
REVERT: h  134 ASN cc_start: 0.8113 (OUTLIER) cc_final: 0.7819 (p0)
REVERT: j   47 ASP cc_start: 0.8460 (m-30) cc_final: 0.8069 (m-30)
REVERT: j  146 MET cc_start: 0.9131 (mmm) cc_final: 0.8903 (mmm)
REVERT: l    7 LYS cc_start: 0.8568 (OUTLIER) cc_final: 0.8209 (mmpt)
REVERT: l   47 ASP cc_start: 0.8368 (m-30) cc_final: 0.8076 (m-30)
REVERT: l  134 ASN cc_start: 0.7965 (OUTLIER) cc_final: 0.7631 (p0)
REVERT: m  109 LYS cc_start: 0.8971 (OUTLIER) cc_final: 0.8627 (ttpt)
REVERT: m  134 ASN cc_start: 0.7850 (OUTLIER) cc_final: 0.7526 (p0)
REVERT: o    4 TYR cc_start: 0.9197 (m-80) cc_final: 0.8987 (m-80)
REVERT: o  122 GLU cc_start: 0.7726 (tm-30) cc_final: 0.7443 (tm-30)
REVERT: o  134 ASN cc_start: 0.8022 (OUTLIER) cc_final: 0.7749 (p0)
REVERT: p  122 GLU cc_start: 0.7780 (tm-30) cc_final: 0.7435 (tm-30)
REVERT: p  134 ASN cc_start: 0.7865 (OUTLIER) cc_final: 0.7476 (p0)
REVERT: q    7 LYS cc_start: 0.8554 (OUTLIER) cc_final: 0.7786 (mmpt)
REVERT: q  126 GLU cc_start: 0.8021 (mt-10) cc_final: 0.7776 (mt-10)
REVERT: q  134 ASN cc_start: 0.8089 (OUTLIER) cc_final: 0.7752 (p0)
REVERT: r  126 GLU cc_start: 0.8032 (mt-10) cc_final: 0.7767 (mt-10)
REVERT: s  122 GLU cc_start: 0.7894 (tm-30) cc_final: 0.7574 (tm-30)
REVERT: s  134 ASN cc_start: 0.8154 (OUTLIER) cc_final: 0.7907 (p0)
REVERT: t   98 LYS cc_start: 0.8975 (ttpt) cc_final: 0.8677 (ttpt)
REVERT: t  126 GLU cc_start: 0.8119 (mt-10) cc_final: 0.7824 (mt-10)
REVERT: u  122 GLU cc_start: 0.7740 (tm-30) cc_final: 0.7453 (tm-30)
REVERT: w  134 ASN cc_start: 0.8129 (OUTLIER) cc_final: 0.7752 (p0)
REVERT: x    7 LYS cc_start: 0.8509 (OUTLIER) cc_final: 0.7658 (mmpt)
REVERT: x  122 GLU cc_start: 0.7786 (tm-30) cc_final: 0.7443 (tm-30)
  outliers start: 260
  outliers final: 168
  residues processed: 1585
  average time/residue: 1.5693
  time to fit residues: 3222.7909
Evaluate side-chains
  1654 residues out of total 7200 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 221
    poor density    : 1433
  time to evaluate  : 6.328 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue    7 LYS
Chi-restraints excluded: chain A residue   56 SER
Chi-restraints excluded: chain A residue  134 ASN
Chi-restraints excluded: chain A residue  135 LYS
Chi-restraints excluded: chain B residue   56 SER
Chi-restraints excluded: chain B residue   94 SER
Chi-restraints excluded: chain B residue  134 ASN
Chi-restraints excluded: chain C residue   24 HIS
Chi-restraints excluded: chain C residue   94 SER
Chi-restraints excluded: chain C residue  109 LYS
Chi-restraints excluded: chain C residue  134 ASN
Chi-restraints excluded: chain D residue    7 LYS
Chi-restraints excluded: chain D residue   56 SER
Chi-restraints excluded: chain D residue   90 ASP
Chi-restraints excluded: chain D residue  134 ASN
Chi-restraints excluded: chain E residue   24 HIS
Chi-restraints excluded: chain E residue   56 SER
Chi-restraints excluded: chain E residue  104 SER
Chi-restraints excluded: chain E residue  134 ASN
Chi-restraints excluded: chain E residue  151 LYS
Chi-restraints excluded: chain F residue   24 HIS
Chi-restraints excluded: chain F residue  119 ASP
Chi-restraints excluded: chain F residue  134 ASN
Chi-restraints excluded: chain G residue    7 LYS
Chi-restraints excluded: chain G residue   56 SER
Chi-restraints excluded: chain G residue   94 SER
Chi-restraints excluded: chain G residue  134 ASN
Chi-restraints excluded: chain H residue   24 HIS
Chi-restraints excluded: chain H residue   94 SER
Chi-restraints excluded: chain H residue  122 GLU
Chi-restraints excluded: chain H residue  131 LYS
Chi-restraints excluded: chain I residue    7 LYS
Chi-restraints excluded: chain I residue   24 HIS
Chi-restraints excluded: chain I residue   94 SER
Chi-restraints excluded: chain I residue  108 ARG
Chi-restraints excluded: chain I residue  134 ASN
Chi-restraints excluded: chain J residue   11 GLU
Chi-restraints excluded: chain J residue   56 SER
Chi-restraints excluded: chain J residue  134 ASN
Chi-restraints excluded: chain J residue  151 LYS
Chi-restraints excluded: chain K residue   94 SER
Chi-restraints excluded: chain K residue  122 GLU
Chi-restraints excluded: chain K residue  134 ASN
Chi-restraints excluded: chain L residue    7 LYS
Chi-restraints excluded: chain L residue   24 HIS
Chi-restraints excluded: chain L residue   56 SER
Chi-restraints excluded: chain L residue  104 SER
Chi-restraints excluded: chain L residue  134 ASN
Chi-restraints excluded: chain M residue   24 HIS
Chi-restraints excluded: chain M residue   56 SER
Chi-restraints excluded: chain M residue   94 SER
Chi-restraints excluded: chain M residue  104 SER
Chi-restraints excluded: chain M residue  134 ASN
Chi-restraints excluded: chain N residue   24 HIS
Chi-restraints excluded: chain N residue  108 ARG
Chi-restraints excluded: chain N residue  134 ASN
Chi-restraints excluded: chain O residue   24 HIS
Chi-restraints excluded: chain O residue   56 SER
Chi-restraints excluded: chain O residue  109 LYS
Chi-restraints excluded: chain O residue  134 ASN
Chi-restraints excluded: chain O residue  151 LYS
Chi-restraints excluded: chain Q residue   24 HIS
Chi-restraints excluded: chain Q residue   56 SER
Chi-restraints excluded: chain Q residue   94 SER
Chi-restraints excluded: chain Q residue  134 ASN
Chi-restraints excluded: chain R residue   24 HIS
Chi-restraints excluded: chain R residue  134 ASN
Chi-restraints excluded: chain S residue    7 LYS
Chi-restraints excluded: chain S residue   11 GLU
Chi-restraints excluded: chain S residue   24 HIS
Chi-restraints excluded: chain S residue  134 ASN
Chi-restraints excluded: chain T residue   24 HIS
Chi-restraints excluded: chain T residue  104 SER
Chi-restraints excluded: chain T residue  134 ASN
Chi-restraints excluded: chain U residue   11 GLU
Chi-restraints excluded: chain U residue   56 SER
Chi-restraints excluded: chain U residue  134 ASN
Chi-restraints excluded: chain V residue   94 SER
Chi-restraints excluded: chain V residue  105 LEU
Chi-restraints excluded: chain V residue  122 GLU
Chi-restraints excluded: chain W residue   24 HIS
Chi-restraints excluded: chain W residue  109 LYS
Chi-restraints excluded: chain W residue  135 LYS
Chi-restraints excluded: chain X residue   24 HIS
Chi-restraints excluded: chain X residue   56 SER
Chi-restraints excluded: chain X residue   94 SER
Chi-restraints excluded: chain X residue  134 ASN
Chi-restraints excluded: chain X residue  151 LYS
Chi-restraints excluded: chain Y residue    7 LYS
Chi-restraints excluded: chain Y residue   24 HIS
Chi-restraints excluded: chain Y residue   56 SER
Chi-restraints excluded: chain Y residue   94 SER
Chi-restraints excluded: chain Y residue  109 LYS
Chi-restraints excluded: chain Y residue  134 ASN
Chi-restraints excluded: chain Z residue   11 GLU
Chi-restraints excluded: chain Z residue   24 HIS
Chi-restraints excluded: chain Z residue   56 SER
Chi-restraints excluded: chain Z residue   90 ASP
Chi-restraints excluded: chain Z residue  134 ASN
Chi-restraints excluded: chain 0 residue    7 LYS
Chi-restraints excluded: chain 0 residue   24 HIS
Chi-restraints excluded: chain 0 residue   56 SER
Chi-restraints excluded: chain 0 residue   71 ASP
Chi-restraints excluded: chain 0 residue   94 SER
Chi-restraints excluded: chain 0 residue  134 ASN
Chi-restraints excluded: chain 1 residue    7 LYS
Chi-restraints excluded: chain 1 residue   24 HIS
Chi-restraints excluded: chain 1 residue  134 ASN
Chi-restraints excluded: chain 2 residue   24 HIS
Chi-restraints excluded: chain 2 residue  134 ASN
Chi-restraints excluded: chain 3 residue   11 GLU
Chi-restraints excluded: chain 3 residue   94 SER
Chi-restraints excluded: chain 4 residue   24 HIS
Chi-restraints excluded: chain 4 residue   56 SER
Chi-restraints excluded: chain 4 residue   71 ASP
Chi-restraints excluded: chain 4 residue   94 SER
Chi-restraints excluded: chain 4 residue  119 ASP
Chi-restraints excluded: chain 4 residue  134 ASN
Chi-restraints excluded: chain 5 residue    7 LYS
Chi-restraints excluded: chain 5 residue   24 HIS
Chi-restraints excluded: chain 5 residue  134 ASN
Chi-restraints excluded: chain 6 residue    7 LYS
Chi-restraints excluded: chain 6 residue   56 SER
Chi-restraints excluded: chain 7 residue   11 GLU
Chi-restraints excluded: chain 7 residue  105 LEU
Chi-restraints excluded: chain 7 residue  134 ASN
Chi-restraints excluded: chain 8 residue    7 LYS
Chi-restraints excluded: chain 8 residue   24 HIS
Chi-restraints excluded: chain 8 residue   56 SER
Chi-restraints excluded: chain 8 residue  134 ASN
Chi-restraints excluded: chain 9 residue    7 LYS
Chi-restraints excluded: chain 9 residue   24 HIS
Chi-restraints excluded: chain 9 residue   56 SER
Chi-restraints excluded: chain 9 residue   94 SER
Chi-restraints excluded: chain 9 residue  134 ASN
Chi-restraints excluded: chain a residue   11 GLU
Chi-restraints excluded: chain a residue  105 LEU
Chi-restraints excluded: chain a residue  134 ASN
Chi-restraints excluded: chain b residue   24 HIS
Chi-restraints excluded: chain b residue   56 SER
Chi-restraints excluded: chain b residue   94 SER
Chi-restraints excluded: chain b residue  134 ASN
Chi-restraints excluded: chain c residue   56 SER
Chi-restraints excluded: chain c residue   94 SER
Chi-restraints excluded: chain c residue  134 ASN
Chi-restraints excluded: chain d residue   24 HIS
Chi-restraints excluded: chain d residue   56 SER
Chi-restraints excluded: chain d residue   94 SER
Chi-restraints excluded: chain d residue  104 SER
Chi-restraints excluded: chain d residue  134 ASN
Chi-restraints excluded: chain d residue  151 LYS
Chi-restraints excluded: chain e residue   24 HIS
Chi-restraints excluded: chain e residue   56 SER
Chi-restraints excluded: chain e residue  151 LYS
Chi-restraints excluded: chain f residue   24 HIS
Chi-restraints excluded: chain g residue   24 HIS
Chi-restraints excluded: chain g residue   56 SER
Chi-restraints excluded: chain g residue  134 ASN
Chi-restraints excluded: chain g residue  151 LYS
Chi-restraints excluded: chain h residue   11 GLU
Chi-restraints excluded: chain h residue   56 SER
Chi-restraints excluded: chain h residue   90 ASP
Chi-restraints excluded: chain h residue  105 LEU
Chi-restraints excluded: chain h residue  134 ASN
Chi-restraints excluded: chain h residue  151 LYS
Chi-restraints excluded: chain i residue   56 SER
Chi-restraints excluded: chain i residue  134 ASN
Chi-restraints excluded: chain j residue   24 HIS
Chi-restraints excluded: chain j residue  134 ASN
Chi-restraints excluded: chain k residue   24 HIS
Chi-restraints excluded: chain k residue  134 ASN
Chi-restraints excluded: chain l residue    7 LYS
Chi-restraints excluded: chain l residue   56 SER
Chi-restraints excluded: chain l residue   94 SER
Chi-restraints excluded: chain l residue  130 THR
Chi-restraints excluded: chain l residue  134 ASN
Chi-restraints excluded: chain m residue   11 GLU
Chi-restraints excluded: chain m residue   56 SER
Chi-restraints excluded: chain m residue   90 ASP
Chi-restraints excluded: chain m residue  109 LYS
Chi-restraints excluded: chain m residue  134 ASN
Chi-restraints excluded: chain m residue  151 LYS
Chi-restraints excluded: chain n residue   24 HIS
Chi-restraints excluded: chain n residue   94 SER
Chi-restraints excluded: chain n residue  134 ASN
Chi-restraints excluded: chain o residue   24 HIS
Chi-restraints excluded: chain o residue   56 SER
Chi-restraints excluded: chain o residue   90 ASP
Chi-restraints excluded: chain o residue   94 SER
Chi-restraints excluded: chain o residue  134 ASN
Chi-restraints excluded: chain o residue  151 LYS
Chi-restraints excluded: chain p residue   11 GLU
Chi-restraints excluded: chain p residue   24 HIS
Chi-restraints excluded: chain p residue   44 ARG
Chi-restraints excluded: chain p residue   71 ASP
Chi-restraints excluded: chain p residue   94 SER
Chi-restraints excluded: chain p residue  134 ASN
Chi-restraints excluded: chain p residue  151 LYS
Chi-restraints excluded: chain q residue    7 LYS
Chi-restraints excluded: chain q residue   56 SER
Chi-restraints excluded: chain q residue  134 ASN
Chi-restraints excluded: chain r residue   24 HIS
Chi-restraints excluded: chain r residue   56 SER
Chi-restraints excluded: chain r residue   94 SER
Chi-restraints excluded: chain r residue  134 ASN
Chi-restraints excluded: chain s residue   24 HIS
Chi-restraints excluded: chain s residue   94 SER
Chi-restraints excluded: chain s residue  134 ASN
Chi-restraints excluded: chain t residue   24 HIS
Chi-restraints excluded: chain t residue   56 SER
Chi-restraints excluded: chain u residue   24 HIS
Chi-restraints excluded: chain u residue   90 ASP
Chi-restraints excluded: chain u residue  134 ASN
Chi-restraints excluded: chain v residue   94 SER
Chi-restraints excluded: chain v residue  134 ASN
Chi-restraints excluded: chain w residue   24 HIS
Chi-restraints excluded: chain w residue   56 SER
Chi-restraints excluded: chain w residue   90 ASP
Chi-restraints excluded: chain w residue  134 ASN
Chi-restraints excluded: chain x residue    7 LYS
Chi-restraints excluded: chain x residue  134 ASN
Rotamers are restrained with sigma=2.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 900
   random chunks:
   chunk 536 optimal weight:    9.9990
   chunk 346 optimal weight:    8.9990
   chunk 518 optimal weight:    6.9990
   chunk 261 optimal weight:    4.9990
   chunk 170 optimal weight:    2.9990
   chunk 168 optimal weight:    1.9990
   chunk 551 optimal weight:    2.9990
   chunk 590 optimal weight:    7.9990
   chunk 428 optimal weight:    6.9990
   chunk 80 optimal weight:    7.9990
   chunk 681 optimal weight:    3.9990
   overall best weight:    3.3990

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

Flipped N/Q/H residues before XYZ refinement:
G  24 HIS
h  24 HIS
l  24 HIS
q  24 HIS

Total number of N/Q/H flips: 4

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8697
moved from start:          0.2549

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.005   0.036  71640  Z= 0.306
  Angle     :  0.528   8.428  96780  Z= 0.288
  Chirality :  0.046   0.172  11220
  Planarity :  0.005   0.045  12480
  Dihedral  :  3.954  19.365   9960
  Min Nonbonded Distance : 2.102

Molprobity Statistics.
  All-atom Clashscore : 7.37
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  3.31 %
    Favored  : 96.69 %
  Rotamer:
    Outliers :  3.62 %
    Allowed  : 14.86 %
    Favored  : 81.51 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  1.77 (0.10), residues: 9120
  helix:  1.98 (0.08), residues: 4740
  sheet:  0.88 (0.11), residues: 2220
  loop : -0.25 (0.15), residues: 2160

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.014   0.001   TRP 3 137 
 HIS   0.012   0.002   HIS o  24 
 PHE   0.027   0.002   PHE W 113 
 TYR   0.014   0.001   TYR N  91 
 ARG   0.006   0.000   ARG B  29 

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

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

  18240 Ramachandran restraints generated.
    9120 Oldfield, 0 Emsley, 9120 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  18240 Ramachandran restraints generated.
    9120 Oldfield, 0 Emsley, 9120 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  1721 residues out of total 7200 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 261
    poor density    : 1460
  time to evaluate  : 6.416 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A    7 LYS cc_start: 0.8538 (OUTLIER) cc_final: 0.7656 (mmpt)
REVERT: A  122 GLU cc_start: 0.7827 (tm-30) cc_final: 0.7484 (tm-30)
REVERT: B  122 GLU cc_start: 0.7840 (tm-30) cc_final: 0.7182 (tm-30)
REVERT: B  126 GLU cc_start: 0.8054 (mt-10) cc_final: 0.7442 (mt-10)
REVERT: C    7 LYS cc_start: 0.8634 (OUTLIER) cc_final: 0.8372 (mmpt)
REVERT: C  109 LYS cc_start: 0.8957 (OUTLIER) cc_final: 0.8516 (ttpt)
REVERT: D    7 LYS cc_start: 0.8652 (OUTLIER) cc_final: 0.8087 (mmpt)
REVERT: D   73 ASP cc_start: 0.8919 (m-30) cc_final: 0.8636 (m-30)
REVERT: D  134 ASN cc_start: 0.8183 (OUTLIER) cc_final: 0.7929 (p0)
REVERT: E   98 LYS cc_start: 0.8948 (ttpt) cc_final: 0.8673 (ttpt)
REVERT: E  134 ASN cc_start: 0.8034 (OUTLIER) cc_final: 0.7821 (p0)
REVERT: F  122 GLU cc_start: 0.7603 (tm-30) cc_final: 0.7392 (tm-30)
REVERT: F  134 ASN cc_start: 0.8270 (OUTLIER) cc_final: 0.7817 (p0)
REVERT: G    7 LYS cc_start: 0.8621 (OUTLIER) cc_final: 0.8271 (mmpt)
REVERT: G   47 ASP cc_start: 0.8458 (m-30) cc_final: 0.8181 (m-30)
REVERT: G  134 ASN cc_start: 0.8056 (OUTLIER) cc_final: 0.7719 (p0)
REVERT: H   44 ARG cc_start: 0.8444 (mtm110) cc_final: 0.7875 (mtp85)
REVERT: H   47 ASP cc_start: 0.8540 (m-30) cc_final: 0.8291 (m-30)
REVERT: I    7 LYS cc_start: 0.8692 (OUTLIER) cc_final: 0.8441 (mmpt)
REVERT: I  108 ARG cc_start: 0.8754 (OUTLIER) cc_final: 0.8371 (mtm180)
REVERT: I  122 GLU cc_start: 0.7820 (tm-30) cc_final: 0.7487 (tm-30)
REVERT: I  134 ASN cc_start: 0.7865 (OUTLIER) cc_final: 0.7643 (p0)
REVERT: J  151 LYS cc_start: 0.9352 (OUTLIER) cc_final: 0.8997 (mtmm)
REVERT: L    7 LYS cc_start: 0.8610 (OUTLIER) cc_final: 0.7956 (mmpt)
REVERT: M  106 GLU cc_start: 0.7946 (tp30) cc_final: 0.7674 (tp30)
REVERT: M  122 GLU cc_start: 0.7861 (tm-30) cc_final: 0.7560 (tm-30)
REVERT: M  134 ASN cc_start: 0.7965 (OUTLIER) cc_final: 0.7627 (p0)
REVERT: N  108 ARG cc_start: 0.8761 (OUTLIER) cc_final: 0.8410 (mtm180)
REVERT: O  109 LYS cc_start: 0.9162 (OUTLIER) cc_final: 0.8743 (ttpt)
REVERT: O  134 ASN cc_start: 0.8192 (OUTLIER) cc_final: 0.7921 (p0)
REVERT: Q  122 GLU cc_start: 0.7660 (tm-30) cc_final: 0.7402 (tm-30)
REVERT: Q  134 ASN cc_start: 0.8028 (OUTLIER) cc_final: 0.7689 (p0)
REVERT: S    7 LYS cc_start: 0.8595 (OUTLIER) cc_final: 0.7824 (mmpt)
REVERT: S  122 GLU cc_start: 0.7651 (tm-30) cc_final: 0.7093 (tm-30)
REVERT: S  126 GLU cc_start: 0.8035 (mt-10) cc_final: 0.7700 (mt-10)
REVERT: S  134 ASN cc_start: 0.8132 (OUTLIER) cc_final: 0.7813 (p0)
REVERT: T   47 ASP cc_start: 0.8414 (m-30) cc_final: 0.7977 (m-30)
REVERT: U  134 ASN cc_start: 0.8194 (OUTLIER) cc_final: 0.7910 (p0)
REVERT: W   44 ARG cc_start: 0.8425 (mtp85) cc_final: 0.8074 (mtp85)
REVERT: W   47 ASP cc_start: 0.8508 (m-30) cc_final: 0.8196 (m-30)
REVERT: W  109 LYS cc_start: 0.8856 (OUTLIER) cc_final: 0.8535 (ttpt)
REVERT: W  135 LYS cc_start: 0.8941 (OUTLIER) cc_final: 0.8656 (mmpt)
REVERT: X  122 GLU cc_start: 0.7709 (tm-30) cc_final: 0.7467 (tm-30)
REVERT: X  134 ASN cc_start: 0.8155 (OUTLIER) cc_final: 0.7900 (p0)
REVERT: Y    7 LYS cc_start: 0.8746 (OUTLIER) cc_final: 0.8085 (mmpt)
REVERT: Y  109 LYS cc_start: 0.8964 (OUTLIER) cc_final: 0.8584 (ttpt)
REVERT: Y  134 ASN cc_start: 0.7952 (OUTLIER) cc_final: 0.7538 (p0)
REVERT: Y  146 MET cc_start: 0.9103 (mmm) cc_final: 0.8844 (mmt)
REVERT: Z    7 LYS cc_start: 0.8683 (OUTLIER) cc_final: 0.8094 (mmmt)
REVERT: 0    7 LYS cc_start: 0.8623 (OUTLIER) cc_final: 0.8039 (mmpt)
REVERT: 0  134 ASN cc_start: 0.8082 (OUTLIER) cc_final: 0.7853 (p0)
REVERT: 1    7 LYS cc_start: 0.8701 (OUTLIER) cc_final: 0.8052 (mmpt)
REVERT: 1   14 ARG cc_start: 0.8442 (mpp80) cc_final: 0.8095 (mpp80)
REVERT: 1   47 ASP cc_start: 0.8404 (m-30) cc_final: 0.8115 (m-30)
REVERT: 1  146 MET cc_start: 0.9032 (mmm) cc_final: 0.8789 (mmm)
REVERT: 2  122 GLU cc_start: 0.7855 (tm-30) cc_final: 0.7550 (tm-30)
REVERT: 4    7 LYS cc_start: 0.8609 (OUTLIER) cc_final: 0.8030 (mmpt)
REVERT: 4  134 ASN cc_start: 0.8058 (OUTLIER) cc_final: 0.7852 (p0)
REVERT: 5    7 LYS cc_start: 0.8684 (OUTLIER) cc_final: 0.8079 (mtpt)
REVERT: 5   14 ARG cc_start: 0.8518 (mpp80) cc_final: 0.8204 (mpp80)
REVERT: 5   47 ASP cc_start: 0.8446 (m-30) cc_final: 0.8161 (m-30)
REVERT: 6    7 LYS cc_start: 0.8661 (OUTLIER) cc_final: 0.8162 (mmpt)
REVERT: 6   44 ARG cc_start: 0.8502 (mtp85) cc_final: 0.8216 (mtp180)
REVERT: 7  134 ASN cc_start: 0.7789 (OUTLIER) cc_final: 0.7447 (p0)
REVERT: 8    7 LYS cc_start: 0.8650 (OUTLIER) cc_final: 0.7895 (mmpt)
REVERT: 9    7 LYS cc_start: 0.8722 (OUTLIER) cc_final: 0.8097 (mtpt)
REVERT: 9  134 ASN cc_start: 0.8004 (OUTLIER) cc_final: 0.7594 (p0)
REVERT: 9  146 MET cc_start: 0.9040 (mmm) cc_final: 0.8605 (mmm)
REVERT: a  134 ASN cc_start: 0.7869 (OUTLIER) cc_final: 0.7574 (p0)
REVERT: c  122 GLU cc_start: 0.7689 (tm-30) cc_final: 0.7429 (tm-30)
REVERT: c  134 ASN cc_start: 0.7859 (OUTLIER) cc_final: 0.7610 (p0)
REVERT: d   44 ARG cc_start: 0.8479 (mtp85) cc_final: 0.8244 (mtm110)
REVERT: d  106 GLU cc_start: 0.7944 (tp30) cc_final: 0.7648 (tp30)
REVERT: d  134 ASN cc_start: 0.8116 (OUTLIER) cc_final: 0.7780 (p0)
REVERT: e  109 LYS cc_start: 0.8870 (OUTLIER) cc_final: 0.8545 (ttpt)
REVERT: e  151 LYS cc_start: 0.9341 (OUTLIER) cc_final: 0.9052 (mtmm)
REVERT: g  146 MET cc_start: 0.9045 (mmm) cc_final: 0.8781 (mmm)
REVERT: h  134 ASN cc_start: 0.8231 (OUTLIER) cc_final: 0.7940 (p0)
REVERT: j   47 ASP cc_start: 0.8468 (m-30) cc_final: 0.8042 (m-30)
REVERT: j  146 MET cc_start: 0.9125 (mmm) cc_final: 0.8884 (mmm)
REVERT: l    7 LYS cc_start: 0.8618 (OUTLIER) cc_final: 0.8265 (mmpt)
REVERT: l   47 ASP cc_start: 0.8389 (m-30) cc_final: 0.8083 (m-30)
REVERT: l  134 ASN cc_start: 0.8032 (OUTLIER) cc_final: 0.7681 (p0)
REVERT: m  109 LYS cc_start: 0.9015 (OUTLIER) cc_final: 0.8615 (ttpt)
REVERT: m  134 ASN cc_start: 0.7893 (OUTLIER) cc_final: 0.7593 (p0)
REVERT: o  122 GLU cc_start: 0.7734 (tm-30) cc_final: 0.7442 (tm-30)
REVERT: o  134 ASN cc_start: 0.8180 (OUTLIER) cc_final: 0.7925 (p0)
REVERT: p  122 GLU cc_start: 0.7815 (tm-30) cc_final: 0.7473 (tm-30)
REVERT: p  134 ASN cc_start: 0.7923 (OUTLIER) cc_final: 0.7549 (p0)
REVERT: q    7 LYS cc_start: 0.8598 (OUTLIER) cc_final: 0.7830 (mmpt)
REVERT: q  126 GLU cc_start: 0.8038 (mt-10) cc_final: 0.7826 (mt-10)
REVERT: q  134 ASN cc_start: 0.8177 (OUTLIER) cc_final: 0.7832 (p0)
REVERT: r  126 GLU cc_start: 0.8054 (mt-10) cc_final: 0.7783 (mt-10)
REVERT: s  134 ASN cc_start: 0.8171 (OUTLIER) cc_final: 0.7956 (p0)
REVERT: t   98 LYS cc_start: 0.8941 (ttpt) cc_final: 0.8671 (ttpt)
REVERT: t  126 GLU cc_start: 0.8139 (mt-10) cc_final: 0.7848 (mt-10)
REVERT: u  122 GLU cc_start: 0.7750 (tm-30) cc_final: 0.7476 (tm-30)
REVERT: u  134 ASN cc_start: 0.8170 (OUTLIER) cc_final: 0.7707 (p0)
REVERT: v  109 LYS cc_start: 0.8938 (OUTLIER) cc_final: 0.8728 (ttpt)
REVERT: w  134 ASN cc_start: 0.8180 (OUTLIER) cc_final: 0.7916 (p0)
REVERT: x    7 LYS cc_start: 0.8528 (OUTLIER) cc_final: 0.7643 (mmpt)
REVERT: x  122 GLU cc_start: 0.7797 (tm-30) cc_final: 0.7452 (tm-30)
  outliers start: 261
  outliers final: 174
  residues processed: 1534
  average time/residue: 1.5143
  time to fit residues: 3022.1919
Evaluate side-chains
  1653 residues out of total 7200 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 233
    poor density    : 1420
  time to evaluate  : 6.265 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue    7 LYS
Chi-restraints excluded: chain A residue   24 HIS
Chi-restraints excluded: chain A residue   56 SER
Chi-restraints excluded: chain A residue  134 ASN
Chi-restraints excluded: chain A residue  135 LYS
Chi-restraints excluded: chain B residue   24 HIS
Chi-restraints excluded: chain B residue   90 ASP
Chi-restraints excluded: chain B residue   94 SER
Chi-restraints excluded: chain C residue    7 LYS
Chi-restraints excluded: chain C residue   24 HIS
Chi-restraints excluded: chain C residue   94 SER
Chi-restraints excluded: chain C residue  109 LYS
Chi-restraints excluded: chain C residue  134 ASN
Chi-restraints excluded: chain D residue    7 LYS
Chi-restraints excluded: chain D residue   24 HIS
Chi-restraints excluded: chain D residue   56 SER
Chi-restraints excluded: chain D residue   90 ASP
Chi-restraints excluded: chain D residue  134 ASN
Chi-restraints excluded: chain E residue   24 HIS
Chi-restraints excluded: chain E residue   56 SER
Chi-restraints excluded: chain E residue  104 SER
Chi-restraints excluded: chain E residue  134 ASN
Chi-restraints excluded: chain E residue  151 LYS
Chi-restraints excluded: chain F residue   71 ASP
Chi-restraints excluded: chain F residue  119 ASP
Chi-restraints excluded: chain F residue  134 ASN
Chi-restraints excluded: chain G residue    7 LYS
Chi-restraints excluded: chain G residue   56 SER
Chi-restraints excluded: chain G residue   94 SER
Chi-restraints excluded: chain G residue  134 ASN
Chi-restraints excluded: chain H residue   24 HIS
Chi-restraints excluded: chain H residue   94 SER
Chi-restraints excluded: chain H residue  122 GLU
Chi-restraints excluded: chain H residue  131 LYS
Chi-restraints excluded: chain H residue  151 LYS
Chi-restraints excluded: chain I residue    7 LYS
Chi-restraints excluded: chain I residue   24 HIS
Chi-restraints excluded: chain I residue   94 SER
Chi-restraints excluded: chain I residue  108 ARG
Chi-restraints excluded: chain I residue  134 ASN
Chi-restraints excluded: chain J residue   11 GLU
Chi-restraints excluded: chain J residue   56 SER
Chi-restraints excluded: chain J residue   90 ASP
Chi-restraints excluded: chain J residue  134 ASN
Chi-restraints excluded: chain J residue  151 LYS
Chi-restraints excluded: chain K residue   94 SER
Chi-restraints excluded: chain K residue  122 GLU
Chi-restraints excluded: chain K residue  134 ASN
Chi-restraints excluded: chain L residue    7 LYS
Chi-restraints excluded: chain L residue   24 HIS
Chi-restraints excluded: chain L residue   56 SER
Chi-restraints excluded: chain L residue   94 SER
Chi-restraints excluded: chain L residue  104 SER
Chi-restraints excluded: chain L residue  134 ASN
Chi-restraints excluded: chain M residue   24 HIS
Chi-restraints excluded: chain M residue   56 SER
Chi-restraints excluded: chain M residue   94 SER
Chi-restraints excluded: chain M residue  104 SER
Chi-restraints excluded: chain M residue  134 ASN
Chi-restraints excluded: chain N residue   24 HIS
Chi-restraints excluded: chain N residue  108 ARG
Chi-restraints excluded: chain N residue  134 ASN
Chi-restraints excluded: chain O residue   24 HIS
Chi-restraints excluded: chain O residue   56 SER
Chi-restraints excluded: chain O residue  109 LYS
Chi-restraints excluded: chain O residue  134 ASN
Chi-restraints excluded: chain O residue  151 LYS
Chi-restraints excluded: chain P residue   94 SER
Chi-restraints excluded: chain Q residue   24 HIS
Chi-restraints excluded: chain Q residue   56 SER
Chi-restraints excluded: chain Q residue   94 SER
Chi-restraints excluded: chain Q residue  134 ASN
Chi-restraints excluded: chain R residue   24 HIS
Chi-restraints excluded: chain R residue  134 ASN
Chi-restraints excluded: chain S residue    7 LYS
Chi-restraints excluded: chain S residue   11 GLU
Chi-restraints excluded: chain S residue   24 HIS
Chi-restraints excluded: chain S residue  134 ASN
Chi-restraints excluded: chain T residue  104 SER
Chi-restraints excluded: chain T residue  134 ASN
Chi-restraints excluded: chain U residue   11 GLU
Chi-restraints excluded: chain U residue   56 SER
Chi-restraints excluded: chain U residue  104 SER
Chi-restraints excluded: chain U residue  134 ASN
Chi-restraints excluded: chain V residue   94 SER
Chi-restraints excluded: chain V residue  105 LEU
Chi-restraints excluded: chain W residue   11 GLU
Chi-restraints excluded: chain W residue   24 HIS
Chi-restraints excluded: chain W residue  109 LYS
Chi-restraints excluded: chain W residue  135 LYS
Chi-restraints excluded: chain X residue   24 HIS
Chi-restraints excluded: chain X residue   56 SER
Chi-restraints excluded: chain X residue   94 SER
Chi-restraints excluded: chain X residue  134 ASN
Chi-restraints excluded: chain Y residue    7 LYS
Chi-restraints excluded: chain Y residue   24 HIS
Chi-restraints excluded: chain Y residue   56 SER
Chi-restraints excluded: chain Y residue   94 SER
Chi-restraints excluded: chain Y residue  109 LYS
Chi-restraints excluded: chain Y residue  134 ASN
Chi-restraints excluded: chain Z residue    7 LYS
Chi-restraints excluded: chain Z residue   11 GLU
Chi-restraints excluded: chain Z residue   24 HIS
Chi-restraints excluded: chain Z residue   56 SER
Chi-restraints excluded: chain Z residue   90 ASP
Chi-restraints excluded: chain Z residue  134 ASN
Chi-restraints excluded: chain 0 residue    7 LYS
Chi-restraints excluded: chain 0 residue   24 HIS
Chi-restraints excluded: chain 0 residue   56 SER
Chi-restraints excluded: chain 0 residue   71 ASP
Chi-restraints excluded: chain 0 residue   94 SER
Chi-restraints excluded: chain 0 residue  119 ASP
Chi-restraints excluded: chain 0 residue  134 ASN
Chi-restraints excluded: chain 1 residue    7 LYS
Chi-restraints excluded: chain 1 residue   24 HIS
Chi-restraints excluded: chain 1 residue  134 ASN
Chi-restraints excluded: chain 2 residue   24 HIS
Chi-restraints excluded: chain 2 residue  134 ASN
Chi-restraints excluded: chain 3 residue   11 GLU
Chi-restraints excluded: chain 3 residue   94 SER
Chi-restraints excluded: chain 4 residue    7 LYS
Chi-restraints excluded: chain 4 residue   24 HIS
Chi-restraints excluded: chain 4 residue   56 SER
Chi-restraints excluded: chain 4 residue   71 ASP
Chi-restraints excluded: chain 4 residue   94 SER
Chi-restraints excluded: chain 4 residue  134 ASN
Chi-restraints excluded: chain 5 residue    7 LYS
Chi-restraints excluded: chain 5 residue   24 HIS
Chi-restraints excluded: chain 5 residue  134 ASN
Chi-restraints excluded: chain 6 residue    7 LYS
Chi-restraints excluded: chain 6 residue   11 GLU
Chi-restraints excluded: chain 6 residue   56 SER
Chi-restraints excluded: chain 6 residue   94 SER
Chi-restraints excluded: chain 7 residue   11 GLU
Chi-restraints excluded: chain 7 residue  105 LEU
Chi-restraints excluded: chain 7 residue  134 ASN
Chi-restraints excluded: chain 8 residue    7 LYS
Chi-restraints excluded: chain 8 residue   24 HIS
Chi-restraints excluded: chain 8 residue   56 SER
Chi-restraints excluded: chain 9 residue    7 LYS
Chi-restraints excluded: chain 9 residue   24 HIS
Chi-restraints excluded: chain 9 residue   56 SER
Chi-restraints excluded: chain 9 residue   94 SER
Chi-restraints excluded: chain 9 residue  134 ASN
Chi-restraints excluded: chain a residue   11 GLU
Chi-restraints excluded: chain a residue  105 LEU
Chi-restraints excluded: chain a residue  134 ASN
Chi-restraints excluded: chain b residue   24 HIS
Chi-restraints excluded: chain b residue   94 SER
Chi-restraints excluded: chain b residue  134 ASN
Chi-restraints excluded: chain c residue   56 SER
Chi-restraints excluded: chain c residue   94 SER
Chi-restraints excluded: chain c residue  131 LYS
Chi-restraints excluded: chain c residue  134 ASN
Chi-restraints excluded: chain d residue   24 HIS
Chi-restraints excluded: chain d residue   56 SER
Chi-restraints excluded: chain d residue   94 SER
Chi-restraints excluded: chain d residue  104 SER
Chi-restraints excluded: chain d residue  134 ASN
Chi-restraints excluded: chain d residue  151 LYS
Chi-restraints excluded: chain e residue   24 HIS
Chi-restraints excluded: chain e residue   56 SER
Chi-restraints excluded: chain e residue  109 LYS
Chi-restraints excluded: chain e residue  151 LYS
Chi-restraints excluded: chain f residue   24 HIS
Chi-restraints excluded: chain g residue   24 HIS
Chi-restraints excluded: chain g residue   56 SER
Chi-restraints excluded: chain g residue   90 ASP
Chi-restraints excluded: chain g residue  134 ASN
Chi-restraints excluded: chain h residue   11 GLU
Chi-restraints excluded: chain h residue   56 SER
Chi-restraints excluded: chain h residue   90 ASP
Chi-restraints excluded: chain h residue  134 ASN
Chi-restraints excluded: chain i residue   56 SER
Chi-restraints excluded: chain i residue   94 SER
Chi-restraints excluded: chain i residue  104 SER
Chi-restraints excluded: chain i residue  134 ASN
Chi-restraints excluded: chain j residue   24 HIS
Chi-restraints excluded: chain j residue  134 ASN
Chi-restraints excluded: chain k residue   24 HIS
Chi-restraints excluded: chain k residue  134 ASN
Chi-restraints excluded: chain l residue    7 LYS
Chi-restraints excluded: chain l residue   56 SER
Chi-restraints excluded: chain l residue   94 SER
Chi-restraints excluded: chain l residue  130 THR
Chi-restraints excluded: chain l residue  134 ASN
Chi-restraints excluded: chain m residue   11 GLU
Chi-restraints excluded: chain m residue   56 SER
Chi-restraints excluded: chain m residue   90 ASP
Chi-restraints excluded: chain m residue  109 LYS
Chi-restraints excluded: chain m residue  134 ASN
Chi-restraints excluded: chain m residue  151 LYS
Chi-restraints excluded: chain n residue   24 HIS
Chi-restraints excluded: chain n residue   94 SER
Chi-restraints excluded: chain n residue  134 ASN
Chi-restraints excluded: chain o residue   24 HIS
Chi-restraints excluded: chain o residue   56 SER
Chi-restraints excluded: chain o residue   94 SER
Chi-restraints excluded: chain o residue  134 ASN
Chi-restraints excluded: chain o residue  151 LYS
Chi-restraints excluded: chain p residue   24 HIS
Chi-restraints excluded: chain p residue   44 ARG
Chi-restraints excluded: chain p residue   71 ASP
Chi-restraints excluded: chain p residue   94 SER
Chi-restraints excluded: chain p residue  134 ASN
Chi-restraints excluded: chain p residue  151 LYS
Chi-restraints excluded: chain q residue    7 LYS
Chi-restraints excluded: chain q residue   56 SER
Chi-restraints excluded: chain q residue  134 ASN
Chi-restraints excluded: chain r residue   24 HIS
Chi-restraints excluded: chain r residue   56 SER
Chi-restraints excluded: chain r residue   94 SER
Chi-restraints excluded: chain r residue  134 ASN
Chi-restraints excluded: chain s residue   24 HIS
Chi-restraints excluded: chain s residue   94 SER
Chi-restraints excluded: chain s residue  134 ASN
Chi-restraints excluded: chain t residue   24 HIS
Chi-restraints excluded: chain t residue   56 SER
Chi-restraints excluded: chain t residue  104 SER
Chi-restraints excluded: chain u residue   24 HIS
Chi-restraints excluded: chain u residue   90 ASP
Chi-restraints excluded: chain u residue  134 ASN
Chi-restraints excluded: chain v residue   94 SER
Chi-restraints excluded: chain v residue  109 LYS
Chi-restraints excluded: chain v residue  134 ASN
Chi-restraints excluded: chain w residue   24 HIS
Chi-restraints excluded: chain w residue   56 SER
Chi-restraints excluded: chain w residue   90 ASP
Chi-restraints excluded: chain w residue  134 ASN
Chi-restraints excluded: chain x residue    7 LYS
Chi-restraints excluded: chain x residue   24 HIS
Chi-restraints excluded: chain x residue  134 ASN
Chi-restraints excluded: chain x residue  135 LYS
Rotamers are restrained with sigma=1.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 900
   random chunks:
   chunk 789 optimal weight:    8.9990
   chunk 831 optimal weight:    0.9990
   chunk 758 optimal weight:    0.9980
   chunk 808 optimal weight:   10.0000
   chunk 830 optimal weight:    0.3980
   chunk 486 optimal weight:    6.9990
   chunk 352 optimal weight:    7.9990
   chunk 634 optimal weight:   10.0000
   chunk 248 optimal weight:    4.9990
   chunk 730 optimal weight:    9.9990
   chunk 764 optimal weight:    4.9990
   overall best weight:    2.4786

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

Flipped N/Q/H residues before XYZ refinement:
h  24 HIS
q  88 HIS

Total number of N/Q/H flips: 2

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8684
moved from start:          0.2600

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.032  71640  Z= 0.240
  Angle     :  0.512   9.415  96780  Z= 0.279
  Chirality :  0.045   0.218  11220
  Planarity :  0.005   0.045  12480
  Dihedral  :  3.898  19.336   9960
  Min Nonbonded Distance : 2.124

Molprobity Statistics.
  All-atom Clashscore : 7.44
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  3.12 %
    Favored  : 96.88 %
  Rotamer:
    Outliers :  3.58 %
    Allowed  : 15.15 %
    Favored  : 81.26 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  1.79 (0.10), residues: 9120
  helix:  2.02 (0.08), residues: 4740
  sheet:  0.88 (0.11), residues: 2220
  loop : -0.28 (0.15), residues: 2160

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.022   0.002   TRP B 137 
 HIS   0.012   0.002   HIS X  24 
 PHE   0.023   0.002   PHE W 113 
 TYR   0.011   0.001   TYR N  91 
 ARG   0.007   0.000   ARG B  29 

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

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

  18240 Ramachandran restraints generated.
    9120 Oldfield, 0 Emsley, 9120 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  18240 Ramachandran restraints generated.
    9120 Oldfield, 0 Emsley, 9120 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  1736 residues out of total 7200 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 258
    poor density    : 1478
  time to evaluate  : 6.516 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
   revert: symmetry clash
REVERT: A    7 LYS cc_start: 0.8524 (OUTLIER) cc_final: 0.7646 (mmpt)
REVERT: A  122 GLU cc_start: 0.7811 (tm-30) cc_final: 0.7455 (tm-30)
REVERT: B  122 GLU cc_start: 0.7827 (tm-30) cc_final: 0.7121 (tm-30)
REVERT: B  126 GLU cc_start: 0.8018 (mt-10) cc_final: 0.7348 (mt-10)
REVERT: C    7 LYS cc_start: 0.8582 (OUTLIER) cc_final: 0.8321 (mmpt)
REVERT: C  109 LYS cc_start: 0.8962 (OUTLIER) cc_final: 0.8511 (ttpt)
REVERT: D    7 LYS cc_start: 0.8648 (OUTLIER) cc_final: 0.8008 (mmpt)
REVERT: D   73 ASP cc_start: 0.8900 (m-30) cc_final: 0.8620 (m-30)
REVERT: D  134 ASN cc_start: 0.8200 (OUTLIER) cc_final: 0.7946 (p0)
REVERT: E   98 LYS cc_start: 0.8984 (ttpt) cc_final: 0.8727 (ttpt)
REVERT: E  134 ASN cc_start: 0.7941 (OUTLIER) cc_final: 0.7725 (p0)
REVERT: F  122 GLU cc_start: 0.7602 (tm-30) cc_final: 0.7365 (tm-30)
REVERT: F  134 ASN cc_start: 0.8188 (OUTLIER) cc_final: 0.7745 (p0)
REVERT: G    7 LYS cc_start: 0.8583 (OUTLIER) cc_final: 0.8235 (mmpt)
REVERT: G   47 ASP cc_start: 0.8495 (m-30) cc_final: 0.8219 (m-30)
REVERT: G  134 ASN cc_start: 0.7911 (OUTLIER) cc_final: 0.7601 (p0)
REVERT: H   44 ARG cc_start: 0.8434 (mtm110) cc_final: 0.7884 (mtp85)
REVERT: H   47 ASP cc_start: 0.8542 (m-30) cc_final: 0.8306 (m-30)
REVERT: I    7 LYS cc_start: 0.8666 (OUTLIER) cc_final: 0.8415 (mmpt)
REVERT: I  108 ARG cc_start: 0.8782 (OUTLIER) cc_final: 0.8368 (mtm180)
REVERT: I  122 GLU cc_start: 0.7820 (tm-30) cc_final: 0.7490 (tm-30)
REVERT: I  134 ASN cc_start: 0.7775 (OUTLIER) cc_final: 0.7573 (p0)
REVERT: L    7 LYS cc_start: 0.8581 (OUTLIER) cc_final: 0.7925 (mmpt)
REVERT: M  106 GLU cc_start: 0.7940 (tp30) cc_final: 0.7667 (tp30)
REVERT: M  122 GLU cc_start: 0.7844 (tm-30) cc_final: 0.7540 (tm-30)
REVERT: M  134 ASN cc_start: 0.7860 (OUTLIER) cc_final: 0.7526 (p0)
REVERT: N  108 ARG cc_start: 0.8742 (OUTLIER) cc_final: 0.8373 (mtm180)
REVERT: N  122 GLU cc_start: 0.7752 (tm-30) cc_final: 0.7361 (tm-30)
REVERT: O  109 LYS cc_start: 0.9153 (OUTLIER) cc_final: 0.8744 (ttpt)
REVERT: O  134 ASN cc_start: 0.8023 (OUTLIER) cc_final: 0.7736 (p0)
REVERT: Q  122 GLU cc_start: 0.7653 (tm-30) cc_final: 0.7383 (tm-30)
REVERT: Q  134 ASN cc_start: 0.7883 (OUTLIER) cc_final: 0.7609 (p0)
REVERT: R  122 GLU cc_start: 0.7551 (tm-30) cc_final: 0.7091 (tm-30)
REVERT: S    7 LYS cc_start: 0.8570 (OUTLIER) cc_final: 0.7807 (mmpt)
REVERT: S  122 GLU cc_start: 0.7636 (tm-30) cc_final: 0.7064 (tm-30)
REVERT: S  126 GLU cc_start: 0.8016 (mt-10) cc_final: 0.7657 (mt-10)
REVERT: S  134 ASN cc_start: 0.8036 (OUTLIER) cc_final: 0.7707 (p0)
REVERT: U  134 ASN cc_start: 0.8109 (OUTLIER) cc_final: 0.7831 (p0)
REVERT: V  141 LEU cc_start: 0.9079 (mm) cc_final: 0.8537 (mp)
REVERT: W   44 ARG cc_start: 0.8417 (mtp85) cc_final: 0.8119 (mtp85)
REVERT: W   47 ASP cc_start: 0.8502 (m-30) cc_final: 0.8209 (m-30)
REVERT: W  109 LYS cc_start: 0.8834 (OUTLIER) cc_final: 0.8549 (ttpt)
REVERT: W  135 LYS cc_start: 0.8935 (OUTLIER) cc_final: 0.8675 (mmpt)
REVERT: X  122 GLU cc_start: 0.7797 (tm-30) cc_final: 0.7574 (tm-30)
REVERT: X  134 ASN cc_start: 0.8108 (OUTLIER) cc_final: 0.7861 (p0)
REVERT: Y    7 LYS cc_start: 0.8693 (OUTLIER) cc_final: 0.8043 (mmpt)
REVERT: Y  109 LYS cc_start: 0.8931 (OUTLIER) cc_final: 0.8586 (ttpt)
REVERT: Y  146 MET cc_start: 0.9060 (mmm) cc_final: 0.8748 (tpp)
REVERT: Z    7 LYS cc_start: 0.8682 (OUTLIER) cc_final: 0.8125 (mmmt)
REVERT: 0    7 LYS cc_start: 0.8580 (OUTLIER) cc_final: 0.8002 (mmpt)
REVERT: 1    7 LYS cc_start: 0.8659 (OUTLIER) cc_final: 0.8021 (mmpt)
REVERT: 1   14 ARG cc_start: 0.8505 (mpp80) cc_final: 0.8158 (mpp80)
REVERT: 1   47 ASP cc_start: 0.8400 (m-30) cc_final: 0.8121 (m-30)
REVERT: 1  146 MET cc_start: 0.9037 (mmm) cc_final: 0.8803 (mmm)
REVERT: 2  122 GLU cc_start: 0.7846 (tm-30) cc_final: 0.7543 (tm-30)
REVERT: 4    7 LYS cc_start: 0.8547 (OUTLIER) cc_final: 0.7972 (mmpt)
REVERT: 5    7 LYS cc_start: 0.8665 (OUTLIER) cc_final: 0.8065 (mtpt)
REVERT: 5   14 ARG cc_start: 0.8519 (mpp80) cc_final: 0.8205 (mpp80)
REVERT: 5   47 ASP cc_start: 0.8442 (m-30) cc_final: 0.8166 (m-30)
REVERT: 6    7 LYS cc_start: 0.8637 (OUTLIER) cc_final: 0.8118 (mmpt)
REVERT: 6   44 ARG cc_start: 0.8506 (mtp85) cc_final: 0.8218 (mtp180)
REVERT: 7  134 ASN cc_start: 0.7672 (OUTLIER) cc_final: 0.7329 (p0)
REVERT: 8    7 LYS cc_start: 0.8622 (OUTLIER) cc_final: 0.7871 (mmpt)
REVERT: 9    7 LYS cc_start: 0.8684 (OUTLIER) cc_final: 0.8073 (mtpt)
REVERT: 9  134 ASN cc_start: 0.7858 (OUTLIER) cc_final: 0.7461 (p0)
REVERT: 9  146 MET cc_start: 0.9040 (mmm) cc_final: 0.8586 (mmm)
REVERT: a  134 ASN cc_start: 0.7782 (OUTLIER) cc_final: 0.7485 (p0)
REVERT: c  122 GLU cc_start: 0.7682 (tm-30) cc_final: 0.7415 (tm-30)
REVERT: c  134 ASN cc_start: 0.7849 (OUTLIER) cc_final: 0.7606 (p0)
REVERT: d   44 ARG cc_start: 0.8448 (mtp85) cc_final: 0.8233 (mtm110)
REVERT: d  106 GLU cc_start: 0.7938 (tp30) cc_final: 0.7646 (tp30)
REVERT: d  134 ASN cc_start: 0.8056 (OUTLIER) cc_final: 0.7711 (p0)
REVERT: e  109 LYS cc_start: 0.8840 (OUTLIER) cc_final: 0.8545 (ttpt)
REVERT: e  151 LYS cc_start: 0.9336 (OUTLIER) cc_final: 0.9053 (mtmm)
REVERT: g  146 MET cc_start: 0.9066 (mmm) cc_final: 0.8829 (mmm)
REVERT: h  134 ASN cc_start: 0.8156 (OUTLIER) cc_final: 0.7868 (p0)
REVERT: i    7 LYS cc_start: 0.8598 (OUTLIER) cc_final: 0.8067 (mmpt)
REVERT: j   47 ASP cc_start: 0.8458 (m-30) cc_final: 0.8033 (m-30)
REVERT: j  146 MET cc_start: 0.9126 (mmm) cc_final: 0.8894 (mmm)
REVERT: k  131 LYS cc_start: 0.9108 (ptmt) cc_final: 0.8901 (ptmt)
REVERT: l    7 LYS cc_start: 0.8581 (OUTLIER) cc_final: 0.8229 (mmpt)
REVERT: l   46 GLU cc_start: 0.7944 (OUTLIER) cc_final: 0.7708 (pm20)
REVERT: l   47 ASP cc_start: 0.8409 (m-30) cc_final: 0.8148 (m-30)
REVERT: l   98 LYS cc_start: 0.8849 (ttpt) cc_final: 0.8610 (ttpt)
REVERT: l  134 ASN cc_start: 0.7941 (OUTLIER) cc_final: 0.7615 (p0)
REVERT: m  109 LYS cc_start: 0.9018 (OUTLIER) cc_final: 0.8633 (ttpt)
REVERT: m  134 ASN cc_start: 0.7783 (OUTLIER) cc_final: 0.7553 (p0)
REVERT: o    4 TYR cc_start: 0.9208 (m-80) cc_final: 0.9000 (m-80)
REVERT: o  122 GLU cc_start: 0.7729 (tm-30) cc_final: 0.7433 (tm-30)
REVERT: o  134 ASN cc_start: 0.8122 (OUTLIER) cc_final: 0.7864 (p0)
REVERT: p  122 GLU cc_start: 0.7808 (tm-30) cc_final: 0.7454 (tm-30)
REVERT: p  134 ASN cc_start: 0.7846 (OUTLIER) cc_final: 0.7607 (p0)
REVERT: q    7 LYS cc_start: 0.8573 (OUTLIER) cc_final: 0.7802 (mmpt)
REVERT: q  126 GLU cc_start: 0.8026 (mt-10) cc_final: 0.7810 (mt-10)
REVERT: q  134 ASN cc_start: 0.8096 (OUTLIER) cc_final: 0.7763 (p0)
REVERT: r  126 GLU cc_start: 0.8011 (mt-10) cc_final: 0.7751 (mt-10)
REVERT: s  134 ASN cc_start: 0.8090 (OUTLIER) cc_final: 0.7876 (p0)
REVERT: t   98 LYS cc_start: 0.8972 (ttpt) cc_final: 0.8707 (ttpt)
REVERT: t  126 GLU cc_start: 0.8115 (mt-10) cc_final: 0.7817 (mt-10)
REVERT: u  122 GLU cc_start: 0.7742 (tm-30) cc_final: 0.7460 (tm-30)
REVERT: u  134 ASN cc_start: 0.8142 (OUTLIER) cc_final: 0.7693 (p0)
REVERT: v  109 LYS cc_start: 0.8920 (OUTLIER) cc_final: 0.8681 (ttpt)
REVERT: w  134 ASN cc_start: 0.8158 (OUTLIER) cc_final: 0.7872 (p0)
REVERT: x    7 LYS cc_start: 0.8530 (OUTLIER) cc_final: 0.7663 (mmpt)
REVERT: x  122 GLU cc_start: 0.7788 (tm-30) cc_final: 0.7436 (tm-30)
  outliers start: 258
  outliers final: 178
  residues processed: 1546
  average time/residue: 1.5365
  time to fit residues: 3087.5168
Evaluate side-chains
  1662 residues out of total 7200 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 235
    poor density    : 1427
  time to evaluate  : 6.286 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue    7 LYS
Chi-restraints excluded: chain A residue   24 HIS
Chi-restraints excluded: chain A residue   56 SER
Chi-restraints excluded: chain A residue  134 ASN
Chi-restraints excluded: chain A residue  135 LYS
Chi-restraints excluded: chain B residue   24 HIS
Chi-restraints excluded: chain B residue   56 SER
Chi-restraints excluded: chain B residue   90 ASP
Chi-restraints excluded: chain B residue   94 SER
Chi-restraints excluded: chain C residue    7 LYS
Chi-restraints excluded: chain C residue   24 HIS
Chi-restraints excluded: chain C residue   94 SER
Chi-restraints excluded: chain C residue  109 LYS
Chi-restraints excluded: chain C residue  134 ASN
Chi-restraints excluded: chain D residue    7 LYS
Chi-restraints excluded: chain D residue   24 HIS
Chi-restraints excluded: chain D residue   56 SER
Chi-restraints excluded: chain D residue   90 ASP
Chi-restraints excluded: chain D residue  134 ASN
Chi-restraints excluded: chain E residue   24 HIS
Chi-restraints excluded: chain E residue   56 SER
Chi-restraints excluded: chain E residue  104 SER
Chi-restraints excluded: chain E residue  134 ASN
Chi-restraints excluded: chain E residue  151 LYS
Chi-restraints excluded: chain F residue   24 HIS
Chi-restraints excluded: chain F residue  119 ASP
Chi-restraints excluded: chain F residue  134 ASN
Chi-restraints excluded: chain G residue    7 LYS
Chi-restraints excluded: chain G residue   56 SER
Chi-restraints excluded: chain G residue   94 SER
Chi-restraints excluded: chain G residue  130 THR
Chi-restraints excluded: chain G residue  134 ASN
Chi-restraints excluded: chain H residue   24 HIS
Chi-restraints excluded: chain H residue   94 SER
Chi-restraints excluded: chain H residue  122 GLU
Chi-restraints excluded: chain I residue    7 LYS
Chi-restraints excluded: chain I residue   24 HIS
Chi-restraints excluded: chain I residue   94 SER
Chi-restraints excluded: chain I residue  108 ARG
Chi-restraints excluded: chain I residue  134 ASN
Chi-restraints excluded: chain J residue   56 SER
Chi-restraints excluded: chain J residue   90 ASP
Chi-restraints excluded: chain J residue  134 ASN
Chi-restraints excluded: chain K residue   56 SER
Chi-restraints excluded: chain K residue   94 SER
Chi-restraints excluded: chain K residue  122 GLU
Chi-restraints excluded: chain K residue  134 ASN
Chi-restraints excluded: chain L residue    7 LYS
Chi-restraints excluded: chain L residue   24 HIS
Chi-restraints excluded: chain L residue   56 SER
Chi-restraints excluded: chain L residue  104 SER
Chi-restraints excluded: chain L residue  134 ASN
Chi-restraints excluded: chain M residue   24 HIS
Chi-restraints excluded: chain M residue   56 SER
Chi-restraints excluded: chain M residue   94 SER
Chi-restraints excluded: chain M residue  104 SER
Chi-restraints excluded: chain M residue  134 ASN
Chi-restraints excluded: chain N residue   24 HIS
Chi-restraints excluded: chain N residue  108 ARG
Chi-restraints excluded: chain N residue  134 ASN
Chi-restraints excluded: chain O residue   24 HIS
Chi-restraints excluded: chain O residue   56 SER
Chi-restraints excluded: chain O residue  109 LYS
Chi-restraints excluded: chain O residue  134 ASN
Chi-restraints excluded: chain O residue  151 LYS
Chi-restraints excluded: chain P residue   94 SER
Chi-restraints excluded: chain P residue  151 LYS
Chi-restraints excluded: chain Q residue   24 HIS
Chi-restraints excluded: chain Q residue   56 SER
Chi-restraints excluded: chain Q residue   94 SER
Chi-restraints excluded: chain Q residue  134 ASN
Chi-restraints excluded: chain R residue   24 HIS
Chi-restraints excluded: chain R residue  134 ASN
Chi-restraints excluded: chain S residue    7 LYS
Chi-restraints excluded: chain S residue   11 GLU
Chi-restraints excluded: chain S residue   24 HIS
Chi-restraints excluded: chain S residue  134 ASN
Chi-restraints excluded: chain T residue  104 SER
Chi-restraints excluded: chain T residue  134 ASN
Chi-restraints excluded: chain U residue   11 GLU
Chi-restraints excluded: chain U residue   56 SER
Chi-restraints excluded: chain U residue   90 ASP
Chi-restraints excluded: chain U residue  104 SER
Chi-restraints excluded: chain U residue  134 ASN
Chi-restraints excluded: chain V residue   94 SER
Chi-restraints excluded: chain V residue  105 LEU
Chi-restraints excluded: chain W residue   11 GLU
Chi-restraints excluded: chain W residue   24 HIS
Chi-restraints excluded: chain W residue  109 LYS
Chi-restraints excluded: chain W residue  135 LYS
Chi-restraints excluded: chain X residue   24 HIS
Chi-restraints excluded: chain X residue   56 SER
Chi-restraints excluded: chain X residue   94 SER
Chi-restraints excluded: chain X residue  134 ASN
Chi-restraints excluded: chain Y residue    7 LYS
Chi-restraints excluded: chain Y residue   24 HIS
Chi-restraints excluded: chain Y residue   56 SER
Chi-restraints excluded: chain Y residue   94 SER
Chi-restraints excluded: chain Y residue  109 LYS
Chi-restraints excluded: chain Y residue  134 ASN
Chi-restraints excluded: chain Z residue    7 LYS
Chi-restraints excluded: chain Z residue   11 GLU
Chi-restraints excluded: chain Z residue   24 HIS
Chi-restraints excluded: chain Z residue   56 SER
Chi-restraints excluded: chain Z residue   90 ASP
Chi-restraints excluded: chain Z residue  134 ASN
Chi-restraints excluded: chain 0 residue    7 LYS
Chi-restraints excluded: chain 0 residue   24 HIS
Chi-restraints excluded: chain 0 residue   56 SER
Chi-restraints excluded: chain 0 residue   71 ASP
Chi-restraints excluded: chain 0 residue   94 SER
Chi-restraints excluded: chain 0 residue  119 ASP
Chi-restraints excluded: chain 0 residue  134 ASN
Chi-restraints excluded: chain 1 residue    7 LYS
Chi-restraints excluded: chain 1 residue   24 HIS
Chi-restraints excluded: chain 1 residue  134 ASN
Chi-restraints excluded: chain 2 residue   24 HIS
Chi-restraints excluded: chain 3 residue   94 SER
Chi-restraints excluded: chain 4 residue    7 LYS
Chi-restraints excluded: chain 4 residue   24 HIS
Chi-restraints excluded: chain 4 residue   56 SER
Chi-restraints excluded: chain 4 residue   71 ASP
Chi-restraints excluded: chain 4 residue   94 SER
Chi-restraints excluded: chain 4 residue  119 ASP
Chi-restraints excluded: chain 4 residue  134 ASN
Chi-restraints excluded: chain 5 residue    7 LYS
Chi-restraints excluded: chain 5 residue   24 HIS
Chi-restraints excluded: chain 5 residue  134 ASN
Chi-restraints excluded: chain 6 residue    7 LYS
Chi-restraints excluded: chain 6 residue   56 SER
Chi-restraints excluded: chain 6 residue   94 SER
Chi-restraints excluded: chain 7 residue   11 GLU
Chi-restraints excluded: chain 7 residue  105 LEU
Chi-restraints excluded: chain 7 residue  134 ASN
Chi-restraints excluded: chain 8 residue    7 LYS
Chi-restraints excluded: chain 8 residue   24 HIS
Chi-restraints excluded: chain 8 residue   56 SER
Chi-restraints excluded: chain 9 residue    7 LYS
Chi-restraints excluded: chain 9 residue   24 HIS
Chi-restraints excluded: chain 9 residue   56 SER
Chi-restraints excluded: chain 9 residue   94 SER
Chi-restraints excluded: chain 9 residue  134 ASN
Chi-restraints excluded: chain a residue   11 GLU
Chi-restraints excluded: chain a residue  105 LEU
Chi-restraints excluded: chain a residue  134 ASN
Chi-restraints excluded: chain b residue   24 HIS
Chi-restraints excluded: chain b residue   56 SER
Chi-restraints excluded: chain b residue   94 SER
Chi-restraints excluded: chain b residue  122 GLU
Chi-restraints excluded: chain b residue  134 ASN
Chi-restraints excluded: chain c residue   56 SER
Chi-restraints excluded: chain c residue   94 SER
Chi-restraints excluded: chain c residue  131 LYS
Chi-restraints excluded: chain c residue  134 ASN
Chi-restraints excluded: chain d residue   24 HIS
Chi-restraints excluded: chain d residue   56 SER
Chi-restraints excluded: chain d residue   94 SER
Chi-restraints excluded: chain d residue  104 SER
Chi-restraints excluded: chain d residue  134 ASN
Chi-restraints excluded: chain d residue  151 LYS
Chi-restraints excluded: chain e residue   24 HIS
Chi-restraints excluded: chain e residue   56 SER
Chi-restraints excluded: chain e residue  109 LYS
Chi-restraints excluded: chain e residue  151 LYS
Chi-restraints excluded: chain f residue   24 HIS
Chi-restraints excluded: chain g residue   24 HIS
Chi-restraints excluded: chain g residue   56 SER
Chi-restraints excluded: chain g residue   90 ASP
Chi-restraints excluded: chain g residue  134 ASN
Chi-restraints excluded: chain h residue   11 GLU
Chi-restraints excluded: chain h residue   56 SER
Chi-restraints excluded: chain h residue   90 ASP
Chi-restraints excluded: chain h residue  134 ASN
Chi-restraints excluded: chain i residue    7 LYS
Chi-restraints excluded: chain i residue   56 SER
Chi-restraints excluded: chain i residue   94 SER
Chi-restraints excluded: chain i residue  104 SER
Chi-restraints excluded: chain i residue  134 ASN
Chi-restraints excluded: chain j residue   24 HIS
Chi-restraints excluded: chain j residue   71 ASP
Chi-restraints excluded: chain j residue  104 SER
Chi-restraints excluded: chain j residue  134 ASN
Chi-restraints excluded: chain k residue   24 HIS
Chi-restraints excluded: chain k residue  134 ASN
Chi-restraints excluded: chain l residue    7 LYS
Chi-restraints excluded: chain l residue   46 GLU
Chi-restraints excluded: chain l residue   56 SER
Chi-restraints excluded: chain l residue   94 SER
Chi-restraints excluded: chain l residue  130 THR
Chi-restraints excluded: chain l residue  134 ASN
Chi-restraints excluded: chain m residue   11 GLU
Chi-restraints excluded: chain m residue   56 SER
Chi-restraints excluded: chain m residue   90 ASP
Chi-restraints excluded: chain m residue  109 LYS
Chi-restraints excluded: chain m residue  134 ASN
Chi-restraints excluded: chain m residue  151 LYS
Chi-restraints excluded: chain n residue   24 HIS
Chi-restraints excluded: chain n residue   94 SER
Chi-restraints excluded: chain n residue  134 ASN
Chi-restraints excluded: chain o residue   24 HIS
Chi-restraints excluded: chain o residue   56 SER
Chi-restraints excluded: chain o residue   94 SER
Chi-restraints excluded: chain o residue  134 ASN
Chi-restraints excluded: chain o residue  151 LYS
Chi-restraints excluded: chain p residue   24 HIS
Chi-restraints excluded: chain p residue   44 ARG
Chi-restraints excluded: chain p residue   71 ASP
Chi-restraints excluded: chain p residue   94 SER
Chi-restraints excluded: chain p residue  134 ASN
Chi-restraints excluded: chain p residue  151 LYS
Chi-restraints excluded: chain q residue    7 LYS
Chi-restraints excluded: chain q residue   56 SER
Chi-restraints excluded: chain q residue  134 ASN
Chi-restraints excluded: chain r residue   24 HIS
Chi-restraints excluded: chain r residue   56 SER
Chi-restraints excluded: chain r residue   94 SER
Chi-restraints excluded: chain s residue   24 HIS
Chi-restraints excluded: chain s residue   94 SER
Chi-restraints excluded: chain s residue  134 ASN
Chi-restraints excluded: chain t residue   24 HIS
Chi-restraints excluded: chain t residue   56 SER
Chi-restraints excluded: chain t residue  104 SER
Chi-restraints excluded: chain u residue   24 HIS
Chi-restraints excluded: chain u residue   90 ASP
Chi-restraints excluded: chain u residue  134 ASN
Chi-restraints excluded: chain v residue   94 SER
Chi-restraints excluded: chain v residue  109 LYS
Chi-restraints excluded: chain v residue  134 ASN
Chi-restraints excluded: chain w residue   24 HIS
Chi-restraints excluded: chain w residue   56 SER
Chi-restraints excluded: chain w residue   90 ASP
Chi-restraints excluded: chain w residue  134 ASN
Chi-restraints excluded: chain x residue    7 LYS
Chi-restraints excluded: chain x residue   24 HIS
Chi-restraints excluded: chain x residue  134 ASN
Rotamers are restrained with sigma=1.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 900
   random chunks:
   chunk 805 optimal weight:    1.9990
   chunk 530 optimal weight:    0.0020
   chunk 854 optimal weight:    1.9990
   chunk 521 optimal weight:    8.9990
   chunk 405 optimal weight:    0.0980
   chunk 594 optimal weight:    4.9990
   chunk 896 optimal weight:    4.9990
   chunk 825 optimal weight:    8.9990
   chunk 713 optimal weight:    0.8980
   chunk 74 optimal weight:    7.9990
   chunk 551 optimal weight:    9.9990
   overall best weight:    0.9992

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

Flipped N/Q/H residues before XYZ refinement:
S  88 HIS
7  24 HIS

Total number of N/Q/H flips: 2

-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8642
moved from start:          0.2765

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.002   0.036  71640  Z= 0.152
  Angle     :  0.480  10.093  96780  Z= 0.259
  Chirality :  0.044   0.180  11220
  Planarity :  0.004   0.044  12480
  Dihedral  :  3.722  18.517   9960
  Min Nonbonded Distance : 2.131

Molprobity Statistics.
  All-atom Clashscore : 7.68
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  3.16 %
    Favored  : 96.84 %
  Rotamer:
    Outliers :  2.39 %
    Allowed  : 16.24 %
    Favored  : 81.38 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  1.96 (0.10), residues: 9120
  helix:  2.14 (0.08), residues: 4740
  sheet:  0.90 (0.11), residues: 2220
  loop : -0.09 (0.15), residues: 2160

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.023   0.002   TRP B 137 
 HIS   0.011   0.002   HIS o  24 
 PHE   0.025   0.001   PHE W 113 
 TYR   0.008   0.001   TYR n  91 
 ARG   0.007   0.000   ARG B  29 

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

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

  18240 Ramachandran restraints generated.
    9120 Oldfield, 0 Emsley, 9120 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  18240 Ramachandran restraints generated.
    9120 Oldfield, 0 Emsley, 9120 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  1747 residues out of total 7200 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 172
    poor density    : 1575
  time to evaluate  : 6.729 
Fit side-chains
   revert: symmetry clash
   revert: symmetry clash
REVERT: A    7 LYS cc_start: 0.8437 (OUTLIER) cc_final: 0.7590 (mmpt)
REVERT: A  122 GLU cc_start: 0.7784 (tm-30) cc_final: 0.7401 (tm-30)
REVERT: A  134 ASN cc_start: 0.7480 (OUTLIER) cc_final: 0.7205 (p0)
REVERT: B  122 GLU cc_start: 0.7794 (tm-30) cc_final: 0.6862 (tm-30)
REVERT: B  126 GLU cc_start: 0.7984 (mt-10) cc_final: 0.7194 (mt-10)
REVERT: C    7 LYS cc_start: 0.8454 (OUTLIER) cc_final: 0.8217 (mmpt)
REVERT: C  109 LYS cc_start: 0.8918 (OUTLIER) cc_final: 0.8392 (ttpt)
REVERT: C  122 GLU cc_start: 0.7608 (tm-30) cc_final: 0.6289 (tm-30)
REVERT: C  126 GLU cc_start: 0.8026 (mt-10) cc_final: 0.7494 (mt-10)
REVERT: D    7 LYS cc_start: 0.8520 (OUTLIER) cc_final: 0.7890 (mmpt)
REVERT: D   73 ASP cc_start: 0.8888 (m-30) cc_final: 0.8592 (m-30)
REVERT: D  134 ASN cc_start: 0.7908 (OUTLIER) cc_final: 0.7683 (p0)
REVERT: E   98 LYS cc_start: 0.8984 (ttpt) cc_final: 0.8710 (ttpt)
REVERT: E  126 GLU cc_start: 0.8060 (mt-10) cc_final: 0.7841 (mt-10)
REVERT: F   44 ARG cc_start: 0.8208 (mtp85) cc_final: 0.7979 (mtm110)
REVERT: F  122 GLU cc_start: 0.7621 (tm-30) cc_final: 0.7121 (tm-30)
REVERT: F  134 ASN cc_start: 0.7866 (OUTLIER) cc_final: 0.7468 (p0)
REVERT: G    7 LYS cc_start: 0.8437 (OUTLIER) cc_final: 0.8114 (mmpt)
REVERT: G   47 ASP cc_start: 0.8461 (m-30) cc_final: 0.8184 (m-30)
REVERT: G  134 ASN cc_start: 0.7552 (OUTLIER) cc_final: 0.7268 (p0)
REVERT: H   47 ASP cc_start: 0.8538 (m-30) cc_final: 0.8275 (m-30)
REVERT: I   98 LYS cc_start: 0.8773 (ttpt) cc_final: 0.8438 (tttt)
REVERT: I  108 ARG cc_start: 0.8785 (OUTLIER) cc_final: 0.8359 (mtm180)
REVERT: I  122 GLU cc_start: 0.7759 (tm-30) cc_final: 0.7238 (tm-30)
REVERT: J   47 ASP cc_start: 0.8130 (m-30) cc_final: 0.7706 (m-30)
REVERT: L   24 HIS cc_start: 0.7029 (OUTLIER) cc_final: 0.6792 (t70)
REVERT: L  134 ASN cc_start: 0.7900 (OUTLIER) cc_final: 0.7558 (p0)
REVERT: M  106 GLU cc_start: 0.7940 (tp30) cc_final: 0.7698 (tp30)
REVERT: M  122 GLU cc_start: 0.7877 (tm-30) cc_final: 0.7233 (tm-30)
REVERT: M  134 ASN cc_start: 0.7553 (OUTLIER) cc_final: 0.7245 (p0)
REVERT: O  109 LYS cc_start: 0.9109 (OUTLIER) cc_final: 0.8764 (ttpt)
REVERT: O  134 ASN cc_start: 0.7711 (OUTLIER) cc_final: 0.7372 (p0)
REVERT: Q  122 GLU cc_start: 0.7595 (tm-30) cc_final: 0.6993 (tm-30)
REVERT: Q  134 ASN cc_start: 0.7679 (OUTLIER) cc_final: 0.7446 (p0)
REVERT: R    1 MET cc_start: 0.8438 (ttm) cc_final: 0.7894 (ttm)
REVERT: S  113 PHE cc_start: 0.9261 (t80) cc_final: 0.9035 (t80)
REVERT: S  122 GLU cc_start: 0.7623 (tm-30) cc_final: 0.7174 (tm-30)
REVERT: S  134 ASN cc_start: 0.7680 (OUTLIER) cc_final: 0.7384 (p0)
REVERT: T   44 ARG cc_start: 0.8486 (mtp85) cc_final: 0.8280 (mtp85)
REVERT: U  134 ASN cc_start: 0.7787 (OUTLIER) cc_final: 0.7526 (p0)
REVERT: W   44 ARG cc_start: 0.8433 (mtp85) cc_final: 0.8144 (mtp85)
REVERT: W   47 ASP cc_start: 0.8499 (m-30) cc_final: 0.8213 (m-30)
REVERT: W  109 LYS cc_start: 0.8747 (OUTLIER) cc_final: 0.8508 (ttpt)
REVERT: W  146 MET cc_start: 0.8923 (mmm) cc_final: 0.8721 (mmm)
REVERT: X  134 ASN cc_start: 0.7895 (OUTLIER) cc_final: 0.7642 (p0)
REVERT: Y  146 MET cc_start: 0.9005 (mmm) cc_final: 0.8785 (mmt)
REVERT: 0    7 LYS cc_start: 0.8385 (OUTLIER) cc_final: 0.7825 (mmpt)
REVERT: 1   14 ARG cc_start: 0.8494 (mpp80) cc_final: 0.8148 (mpp80)
REVERT: 1   47 ASP cc_start: 0.8415 (m-30) cc_final: 0.8152 (m-30)
REVERT: 1  134 ASN cc_start: 0.7830 (OUTLIER) cc_final: 0.7556 (p0)
REVERT: 2  113 PHE cc_start: 0.9231 (t80) cc_final: 0.9008 (t80)
REVERT: 2  122 GLU cc_start: 0.7861 (tm-30) cc_final: 0.7549 (tm-30)
REVERT: 5    7 LYS cc_start: 0.8536 (OUTLIER) cc_final: 0.7940 (mtpt)
REVERT: 5   14 ARG cc_start: 0.8514 (mpp80) cc_final: 0.8204 (mpp80)
REVERT: 5   47 ASP cc_start: 0.8396 (m-30) cc_final: 0.8006 (m-30)
REVERT: 5  126 GLU cc_start: 0.8031 (mt-10) cc_final: 0.7812 (mt-10)
REVERT: 5  134 ASN cc_start: 0.7785 (OUTLIER) cc_final: 0.7508 (p0)
REVERT: 5  146 MET cc_start: 0.8870 (mmm) cc_final: 0.8607 (mmm)
REVERT: 6   44 ARG cc_start: 0.8541 (mtp85) cc_final: 0.8285 (mtp180)
REVERT: 7  134 ASN cc_start: 0.7334 (OUTLIER) cc_final: 0.6973 (p0)
REVERT: 8    7 LYS cc_start: 0.8464 (OUTLIER) cc_final: 0.7711 (mmpt)
REVERT: 9  146 MET cc_start: 0.8996 (mmm) cc_final: 0.8522 (mmm)
REVERT: a  134 ASN cc_start: 0.7473 (OUTLIER) cc_final: 0.7138 (p0)
REVERT: c  122 GLU cc_start: 0.7631 (tm-30) cc_final: 0.7345 (tm-30)
REVERT: c  134 ASN cc_start: 0.7609 (OUTLIER) cc_final: 0.7374 (p0)
REVERT: d  106 GLU cc_start: 0.7893 (tp30) cc_final: 0.7622 (tp30)
REVERT: d  134 ASN cc_start: 0.7650 (OUTLIER) cc_final: 0.7307 (p0)
REVERT: e  109 LYS cc_start: 0.8815 (OUTLIER) cc_final: 0.8537 (ttpt)
REVERT: e  146 MET cc_start: 0.8930 (mmm) cc_final: 0.8725 (mmm)
REVERT: f  134 ASN cc_start: 0.7790 (OUTLIER) cc_final: 0.7553 (p0)
REVERT: g   28 ASP cc_start: 0.8407 (m-30) cc_final: 0.8099 (m-30)
REVERT: g   47 ASP cc_start: 0.8298 (m-30) cc_final: 0.7905 (m-30)
REVERT: g  146 MET cc_start: 0.9012 (mmm) cc_final: 0.8690 (mmm)
REVERT: h  134 ASN cc_start: 0.7890 (OUTLIER) cc_final: 0.7619 (p0)
REVERT: i  134 ASN cc_start: 0.7874 (OUTLIER) cc_final: 0.7533 (p0)
REVERT: j   47 ASP cc_start: 0.8463 (m-30) cc_final: 0.8137 (m-30)
REVERT: j  146 MET cc_start: 0.9132 (mmm) cc_final: 0.8807 (mmm)
REVERT: l    7 LYS cc_start: 0.8442 (OUTLIER) cc_final: 0.8104 (mmpt)
REVERT: l   47 ASP cc_start: 0.8504 (m-30) cc_final: 0.8256 (m-30)
REVERT: l   98 LYS cc_start: 0.8812 (ttpt) cc_final: 0.8587 (ttpt)
REVERT: l  134 ASN cc_start: 0.7572 (OUTLIER) cc_final: 0.7270 (p0)
REVERT: m  109 LYS cc_start: 0.8985 (OUTLIER) cc_final: 0.8653 (ttpt)
REVERT: m  134 ASN cc_start: 0.7467 (OUTLIER) cc_final: 0.7229 (p0)
REVERT: o    4 TYR cc_start: 0.9194 (m-80) cc_final: 0.8953 (m-80)
REVERT: o  122 GLU cc_start: 0.7752 (tm-30) cc_final: 0.7454 (tm-30)
REVERT: o  134 ASN cc_start: 0.7956 (OUTLIER) cc_final: 0.7688 (p0)
REVERT: p  122 GLU cc_start: 0.7715 (tm-30) cc_final: 0.7164 (tm-30)
REVERT: p  126 GLU cc_start: 0.8134 (mt-10) cc_final: 0.7594 (mt-10)
REVERT: q  113 PHE cc_start: 0.9244 (t80) cc_final: 0.9012 (t80)
REVERT: q  134 ASN cc_start: 0.7756 (OUTLIER) cc_final: 0.7429 (p0)
REVERT: r  122 GLU cc_start: 0.7833 (tm-30) cc_final: 0.6967 (tm-30)
REVERT: r  126 GLU cc_start: 0.8005 (mt-10) cc_final: 0.7288 (mt-10)
REVERT: s  134 ASN cc_start: 0.7781 (OUTLIER) cc_final: 0.7561 (p0)
REVERT: t   98 LYS cc_start: 0.8955 (ttpt) cc_final: 0.8702 (ttpt)
REVERT: t  126 GLU cc_start: 0.8075 (mt-10) cc_final: 0.7788 (mt-10)
REVERT: u  122 GLU cc_start: 0.7745 (tm-30) cc_final: 0.7426 (tm-30)
REVERT: w  134 ASN cc_start: 0.7843 (OUTLIER) cc_final: 0.7460 (p0)
REVERT: x    7 LYS cc_start: 0.8413 (OUTLIER) cc_final: 0.7578 (mmpt)
REVERT: x  122 GLU cc_start: 0.7781 (tm-30) cc_final: 0.7416 (tm-30)
  outliers start: 172
  outliers final: 84
  residues processed: 1622
  average time/residue: 1.5473
  time to fit residues: 3254.3542
Evaluate side-chains
  1580 residues out of total 7200 non-(ALA, GLY, PRO) need fitting.
    rotamer outliers: 126
    poor density    : 1454
  time to evaluate  : 6.269 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue    7 LYS
Chi-restraints excluded: chain A residue   56 SER
Chi-restraints excluded: chain A residue  134 ASN
Chi-restraints excluded: chain C residue    7 LYS
Chi-restraints excluded: chain C residue  109 LYS
Chi-restraints excluded: chain C residue  134 ASN
Chi-restraints excluded: chain D residue    7 LYS
Chi-restraints excluded: chain D residue   56 SER
Chi-restraints excluded: chain D residue  134 ASN
Chi-restraints excluded: chain E residue   24 HIS
Chi-restraints excluded: chain E residue   56 SER
Chi-restraints excluded: chain E residue  104 SER
Chi-restraints excluded: chain F residue   24 HIS
Chi-restraints excluded: chain F residue  134 ASN
Chi-restraints excluded: chain G residue    7 LYS
Chi-restraints excluded: chain G residue  134 ASN
Chi-restraints excluded: chain H residue   24 HIS
Chi-restraints excluded: chain H residue  122 GLU
Chi-restraints excluded: chain I residue   24 HIS
Chi-restraints excluded: chain I residue  108 ARG
Chi-restraints excluded: chain J residue   56 SER
Chi-restraints excluded: chain J residue  134 ASN
Chi-restraints excluded: chain L residue   24 HIS
Chi-restraints excluded: chain L residue   56 SER
Chi-restraints excluded: chain L residue  104 SER
Chi-restraints excluded: chain L residue  134 ASN
Chi-restraints excluded: chain M residue   56 SER
Chi-restraints excluded: chain M residue  104 SER
Chi-restraints excluded: chain M residue  134 ASN
Chi-restraints excluded: chain N residue  134 ASN
Chi-restraints excluded: chain O residue   24 HIS
Chi-restraints excluded: chain O residue  109 LYS
Chi-restraints excluded: chain O residue  134 ASN
Chi-restraints excluded: chain P residue  151 LYS
Chi-restraints excluded: chain Q residue   24 HIS
Chi-restraints excluded: chain Q residue   56 SER
Chi-restraints excluded: chain Q residue  134 ASN
Chi-restraints excluded: chain R residue  134 ASN
Chi-restraints excluded: chain S residue   11 GLU
Chi-restraints excluded: chain S residue   24 HIS
Chi-restraints excluded: chain S residue  134 ASN
Chi-restraints excluded: chain T residue  104 SER
Chi-restraints excluded: chain T residue  134 ASN
Chi-restraints excluded: chain U residue   11 GLU
Chi-restraints excluded: chain U residue   56 SER
Chi-restraints excluded: chain U residue  104 SER
Chi-restraints excluded: chain U residue  134 ASN
Chi-restraints excluded: chain V residue  105 LEU
Chi-restraints excluded: chain W residue   24 HIS
Chi-restraints excluded: chain W residue  109 LYS
Chi-restraints excluded: chain X residue   56 SER
Chi-restraints excluded: chain X residue  134 ASN
Chi-restraints excluded: chain Y residue   24 HIS
Chi-restraints excluded: chain Y residue   56 SER
Chi-restraints excluded: chain Y residue  134 ASN
Chi-restraints excluded: chain Z residue   11 GLU
Chi-restraints excluded: chain Z residue   24 HIS
Chi-restraints excluded: chain Z residue  134 ASN
Chi-restraints excluded: chain 0 residue    7 LYS
Chi-restraints excluded: chain 0 residue   24 HIS
Chi-restraints excluded: chain 0 residue  134 ASN
Chi-restraints excluded: chain 1 residue  134 ASN
Chi-restraints excluded: chain 3 residue   11 GLU
Chi-restraints excluded: chain 4 residue   24 HIS
Chi-restraints excluded: chain 4 residue   56 SER
Chi-restraints excluded: chain 4 residue   71 ASP
Chi-restraints excluded: chain 4 residue  134 ASN
Chi-restraints excluded: chain 5 residue    7 LYS
Chi-restraints excluded: chain 5 residue  134 ASN
Chi-restraints excluded: chain 6 residue   56 SER
Chi-restraints excluded: chain 7 residue  105 LEU
Chi-restraints excluded: chain 7 residue  134 ASN
Chi-restraints excluded: chain 8 residue    7 LYS
Chi-restraints excluded: chain 8 residue   24 HIS
Chi-restraints excluded: chain 8 residue  134 ASN
Chi-restraints excluded: chain 9 residue   56 SER
Chi-restraints excluded: chain a residue  105 LEU
Chi-restraints excluded: chain a residue  134 ASN
Chi-restraints excluded: chain b residue   24 HIS
Chi-restraints excluded: chain b residue  122 GLU
Chi-restraints excluded: chain c residue  134 ASN
Chi-restraints excluded: chain d residue   24 HIS
Chi-restraints excluded: chain d residue   56 SER
Chi-restraints excluded: chain d residue  134 ASN
Chi-restraints excluded: chain e residue   24 HIS
Chi-restraints excluded: chain e residue  109 LYS
Chi-restraints excluded: chain f residue  134 ASN
Chi-restraints excluded: chain g residue   24 HIS
Chi-restraints excluded: chain g residue   56 SER
Chi-restraints excluded: chain g residue   90 ASP
Chi-restraints excluded: chain g residue  134 ASN
Chi-restraints excluded: chain h residue   11 GLU
Chi-restraints excluded: chain h residue   56 SER
Chi-restraints excluded: chain h residue   90 ASP
Chi-restraints excluded: chain h residue  134 ASN
Chi-restraints excluded: chain i residue   56 SER
Chi-restraints excluded: chain i residue  104 SER
Chi-restraints excluded: chain i residue  134 ASN
Chi-restraints excluded: chain j residue  104 SER
Chi-restraints excluded: chain j residue  134 ASN
Chi-restraints excluded: chain k residue  134 ASN
Chi-restraints excluded: chain l residue    7 LYS
Chi-restraints excluded: chain l residue  130 THR
Chi-restraints excluded: chain l residue  134 ASN
Chi-restraints excluded: chain m residue   56 SER
Chi-restraints excluded: chain m residue  109 LYS
Chi-restraints excluded: chain m residue  134 ASN
Chi-restraints excluded: chain n residue  134 ASN
Chi-restraints excluded: chain o residue   56 SER
Chi-restraints excluded: chain o residue  134 ASN
Chi-restraints excluded: chain p residue   44 ARG
Chi-restraints excluded: chain q residue   56 SER
Chi-restraints excluded: chain q residue  134 ASN
Chi-restraints excluded: chain r residue   56 SER
Chi-restraints excluded: chain s residue   24 HIS
Chi-restraints excluded: chain s residue  134 ASN
Chi-restraints excluded: chain t residue   24 HIS
Chi-restraints excluded: chain t residue   56 SER
Chi-restraints excluded: chain t residue  104 SER
Chi-restraints excluded: chain u residue   24 HIS
Chi-restraints excluded: chain u residue  134 ASN
Chi-restraints excluded: chain v residue  134 ASN
Chi-restraints excluded: chain w residue   56 SER
Chi-restraints excluded: chain w residue  134 ASN
Chi-restraints excluded: chain x residue    7 LYS
Chi-restraints excluded: chain x residue  134 ASN
Rotamers are restrained with sigma=1.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 900
   random chunks:
   chunk 437 optimal weight:    9.9990
   chunk 567 optimal weight:    9.9990
   chunk 760 optimal weight:    0.8980
   chunk 218 optimal weight:    6.9990
   chunk 658 optimal weight:    6.9990
   chunk 105 optimal weight:   10.0000
   chunk 198 optimal weight:    2.9990
   chunk 715 optimal weight:    0.9980
   chunk 299 optimal weight:    1.9990
   chunk 734 optimal weight:   10.0000
   chunk 90 optimal weight:    9.9990
   overall best weight:    2.7786

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

Flipped N/Q/H residues before XYZ refinement:
B  23 ASN
** D  24 HIS ** both conformations clash, **PLEASE CHECK MANUALLY**
Q  23 ASN
b  23 ASN

Total number of N/Q/H flips: 3

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3183 r_free = 0.3183 target = 0.085619 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 30)----------------|
| r_work = 0.2949 r_free = 0.2949 target = 0.071870 restraints weight = 127078.278|
|-----------------------------------------------------------------------------|
r_work (start): 0.2991 rms_B_bonded: 2.77
r_work: 0.2836 rms_B_bonded: 3.08 restraints_weight: 0.5000
r_work (final): 0.2836
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8562
moved from start:          0.2714

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.036  71640  Z= 0.264
  Angle     :  0.522  12.412  96780  Z= 0.283
  Chirality :  0.046   0.214  11220
  Planarity :  0.005   0.043  12480
  Dihedral  :  3.813  18.102   9960
  Min Nonbonded Distance : 2.121

Molprobity Statistics.
  All-atom Clashscore : 7.51
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  3.19 %
    Favored  : 96.81 %
  Rotamer:
    Outliers :  2.19 %
    Allowed  : 16.67 %
    Favored  : 81.14 %
  Cbeta Deviations :  0.01 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  1.91 (0.10), residues: 9120
  helix:  2.12 (0.08), residues: 4740
  sheet:  0.93 (0.11), residues: 2220
  loop : -0.23 (0.15), residues: 2160

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.022   0.002   TRP B 137 
 HIS   0.014   0.002   HIS o  24 
 PHE   0.031   0.002   PHE W 113 
 TYR   0.015   0.001   TYR n  91 
 ARG   0.007   0.000   ARG l  44 
Origin is already at (0, 0, 0), no shifts will be applied

===============================================================================
Job complete
usr+sys time: 38451.36 seconds
wall clock time: 659 minutes 49.46 seconds (39589.46 seconds total)