Starting phenix.real_space_refine
on Wed Jan 22 10:54:39 2025 by dcliebschner
===============================================================================

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

  Found model, /net/cci-nas-00/data/ceres_data/9ez8_50071/01_2025/9ez8_50071.cif
  Found real_map, /net/cci-nas-00/data/ceres_data/9ez8_50071/01_2025/9ez8_50071.map

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

  Adding command-line PHIL:
  -------------------------
    refinement.macro_cycles=10
    scattering_table=electron
    resolution=2.7
    write_initial_geo_file=False

Final processed PHIL parameters:
-------------------------------------------------------------------------------
  data_manager {
    real_map_files = "/net/cci-nas-00/data/ceres_data/9ez8_50071/01_2025/9ez8_50071.map"
    default_real_map = "/net/cci-nas-00/data/ceres_data/9ez8_50071/01_2025/9ez8_50071.map"
    model {
      file = "/net/cci-nas-00/data/ceres_data/9ez8_50071/01_2025/9ez8_50071.cif"
    }
    default_model = "/net/cci-nas-00/data/ceres_data/9ez8_50071/01_2025/9ez8_50071.cif"
  }
  resolution = 2.7
  write_initial_geo_file = False
  refinement {
    macro_cycles = 10
  }
  qi {
    qm_restraints {
      package {
        program = *test
      }
    }
  }


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

Validating inputs
Origin is already at (0, 0, 0), no shifts will be applied
-------------------------------------------------------------------------------
Processing inputs
*****************
Set random seed
  Set to: 0
Set model cs if undefined
Decide on map wrapping
  Map wrapping is set to: False
Normalize map: mean=0, sd=1
  Input map: mean=   0.000 sd=   0.006
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     360      5.16       5
     C   43500      2.51       5
     N   12420      2.21       5
     O   13200      1.98       5
    sf(0) = scattering factor at diffraction angle 0.
Process input model
  Monomer Library directory:
    "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5571/modules/chem_data/mon_lib"
  Total number of atoms: 69480
  Number of models: 1
  Model: ""
    Number of chains: 1
    Chain: "1"
      Number of atoms: 1158
      Number of conformers: 1
      Conformer: ""
        Number of residues, atoms: 157, 1158
          Classifications: {'peptide': 157}
          Modifications used: {'COO': 1}
          Link IDs: {'PTRANS': 3, 'TRANS': 153}
  Restraints were copied for chains:
    0, 3, 2, 5, 4, 7, 6, 9, 8, A, C, B, E, D, G, F, I, H, K, J, M, L,
    O, N, Q, P, S, R, U, T, W, V, Y, X, Z, a, c, b, e, d, g, f, i, h,
    k, j, m, l, o, n, q, p, s, r, u, t, w, v, x
  Time building chain proxies: 10.71, per 1000 atoms: 0.15
  Number of scatterers: 69480
  At special positions: 0
  Unit cell: (170.438, 170.438, 170.438, 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     360     16.00
     O   13200      8.00
     N   12420      7.00
     C   43500      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  - 3.00
        Amino acid           : True  - 1.90
        Carbohydrate         : True  - 1.99
        Ligands              : True  - 1.99
        Small molecules      : False - 1.98
        Amino acid - RNA/DNA : False
      
  Number of custom bonds: simple=0, symmetry=0
  Time building additional restraints: 12.80
  Conformation dependent library (CDL) restraints added in 6.9 seconds
  

  18600 Ramachandran restraints generated.
    9300 Oldfield, 0 Emsley, 9300 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 120 sheets defined
      52.9% alpha, 17.8% beta
      0 base pairs and 0 stacking pairs defined.
    Time for finding SS restraints: 6.89
  Creating SS restraints...
    Processing helix  chain 'A' and resid 96 through 114
      Proline residue:  A 102  - end of helix
    Processing helix  chain 'A' and resid 117 through 119
      No H-bonds generated for 'chain 'A' and resid 117 through 119'
    Processing helix  chain 'A' and resid 128 through 130
      No H-bonds generated for 'chain 'A' and resid 128 through 130'
    Processing helix  chain 'A' and resid 131 through 141
    Processing helix  chain 'A' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY A 181 " --> pdb=" O   GLY A 177 " (cutoff:3.500A)
    Processing helix  chain 'A' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA A 197 " --> pdb=" O   ASP A 193 " (cutoff:3.500A)
    Processing helix  chain 'A' and resid 208 through 226
    Processing helix  chain 'B' and resid 96 through 114
      Proline residue:  B 102  - end of helix
    Processing helix  chain 'B' and resid 117 through 119
      No H-bonds generated for 'chain 'B' and resid 117 through 119'
    Processing helix  chain 'B' and resid 128 through 130
      No H-bonds generated for 'chain 'B' and resid 128 through 130'
    Processing helix  chain 'B' and resid 131 through 141
    Processing helix  chain 'B' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY B 181 " --> pdb=" O   GLY B 177 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA B 197 " --> pdb=" O   ASP B 193 " (cutoff:3.500A)
    Processing helix  chain 'B' and resid 208 through 226
    Processing helix  chain 'C' and resid 96 through 114
      Proline residue:  C 102  - end of helix
    Processing helix  chain 'C' and resid 117 through 119
      No H-bonds generated for 'chain 'C' and resid 117 through 119'
    Processing helix  chain 'C' and resid 128 through 130
      No H-bonds generated for 'chain 'C' and resid 128 through 130'
    Processing helix  chain 'C' and resid 131 through 141
    Processing helix  chain 'C' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY C 181 " --> pdb=" O   GLY C 177 " (cutoff:3.500A)
    Processing helix  chain 'C' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA C 197 " --> pdb=" O   ASP C 193 " (cutoff:3.500A)
    Processing helix  chain 'C' and resid 208 through 226
    Processing helix  chain 'D' and resid 96 through 114
      Proline residue:  D 102  - end of helix
    Processing helix  chain 'D' and resid 117 through 119
      No H-bonds generated for 'chain 'D' and resid 117 through 119'
    Processing helix  chain 'D' and resid 128 through 130
      No H-bonds generated for 'chain 'D' and resid 128 through 130'
    Processing helix  chain 'D' and resid 131 through 141
    Processing helix  chain 'D' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY D 181 " --> pdb=" O   GLY D 177 " (cutoff:3.500A)
    Processing helix  chain 'D' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA D 197 " --> pdb=" O   ASP D 193 " (cutoff:3.500A)
    Processing helix  chain 'D' and resid 208 through 226
    Processing helix  chain 'E' and resid 96 through 114
      Proline residue:  E 102  - end of helix
    Processing helix  chain 'E' and resid 117 through 119
      No H-bonds generated for 'chain 'E' and resid 117 through 119'
    Processing helix  chain 'E' and resid 128 through 130
      No H-bonds generated for 'chain 'E' and resid 128 through 130'
    Processing helix  chain 'E' and resid 131 through 141
    Processing helix  chain 'E' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY E 181 " --> pdb=" O   GLY E 177 " (cutoff:3.500A)
    Processing helix  chain 'E' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA E 197 " --> pdb=" O   ASP E 193 " (cutoff:3.500A)
    Processing helix  chain 'E' and resid 208 through 226
    Processing helix  chain 'F' and resid 96 through 114
      Proline residue:  F 102  - end of helix
    Processing helix  chain 'F' and resid 117 through 119
      No H-bonds generated for 'chain 'F' and resid 117 through 119'
    Processing helix  chain 'F' and resid 128 through 130
      No H-bonds generated for 'chain 'F' and resid 128 through 130'
    Processing helix  chain 'F' and resid 131 through 141
    Processing helix  chain 'F' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY F 181 " --> pdb=" O   GLY F 177 " (cutoff:3.500A)
    Processing helix  chain 'F' and resid 193 through 200
      removed outlier: 3.791A  pdb=" N   ALA F 197 " --> pdb=" O   ASP F 193 " (cutoff:3.500A)
    Processing helix  chain 'F' and resid 208 through 226
    Processing helix  chain 'G' and resid 96 through 114
      Proline residue:  G 102  - end of helix
    Processing helix  chain 'G' and resid 117 through 119
      No H-bonds generated for 'chain 'G' and resid 117 through 119'
    Processing helix  chain 'G' and resid 128 through 130
      No H-bonds generated for 'chain 'G' and resid 128 through 130'
    Processing helix  chain 'G' and resid 131 through 141
    Processing helix  chain 'G' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY G 181 " --> pdb=" O   GLY G 177 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA G 197 " --> pdb=" O   ASP G 193 " (cutoff:3.500A)
    Processing helix  chain 'G' and resid 208 through 226
    Processing helix  chain 'H' and resid 96 through 114
      Proline residue:  H 102  - end of helix
    Processing helix  chain 'H' and resid 117 through 119
      No H-bonds generated for 'chain 'H' and resid 117 through 119'
    Processing helix  chain 'H' and resid 128 through 130
      No H-bonds generated for 'chain 'H' and resid 128 through 130'
    Processing helix  chain 'H' and resid 131 through 141
    Processing helix  chain 'H' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY H 181 " --> pdb=" O   GLY H 177 " (cutoff:3.500A)
    Processing helix  chain 'H' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA H 197 " --> pdb=" O   ASP H 193 " (cutoff:3.500A)
    Processing helix  chain 'H' and resid 208 through 226
    Processing helix  chain 'I' and resid 96 through 114
      Proline residue:  I 102  - end of helix
    Processing helix  chain 'I' and resid 117 through 119
      No H-bonds generated for 'chain 'I' and resid 117 through 119'
    Processing helix  chain 'I' and resid 128 through 130
      No H-bonds generated for 'chain 'I' and resid 128 through 130'
    Processing helix  chain 'I' and resid 131 through 141
    Processing helix  chain 'I' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY I 181 " --> pdb=" O   GLY I 177 " (cutoff:3.500A)
    Processing helix  chain 'I' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA I 197 " --> pdb=" O   ASP I 193 " (cutoff:3.500A)
    Processing helix  chain 'I' and resid 208 through 226
    Processing helix  chain 'J' and resid 96 through 114
      Proline residue:  J 102  - end of helix
    Processing helix  chain 'J' and resid 117 through 119
      No H-bonds generated for 'chain 'J' and resid 117 through 119'
    Processing helix  chain 'J' and resid 128 through 130
      No H-bonds generated for 'chain 'J' and resid 128 through 130'
    Processing helix  chain 'J' and resid 131 through 141
    Processing helix  chain 'J' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY J 181 " --> pdb=" O   GLY J 177 " (cutoff:3.500A)
    Processing helix  chain 'J' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA J 197 " --> pdb=" O   ASP J 193 " (cutoff:3.500A)
    Processing helix  chain 'J' and resid 208 through 226
    Processing helix  chain 'K' and resid 96 through 114
      Proline residue:  K 102  - end of helix
    Processing helix  chain 'K' and resid 117 through 119
      No H-bonds generated for 'chain 'K' and resid 117 through 119'
    Processing helix  chain 'K' and resid 128 through 130
      No H-bonds generated for 'chain 'K' and resid 128 through 130'
    Processing helix  chain 'K' and resid 131 through 141
    Processing helix  chain 'K' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY K 181 " --> pdb=" O   GLY K 177 " (cutoff:3.500A)
    Processing helix  chain 'K' and resid 193 through 200
      removed outlier: 3.791A  pdb=" N   ALA K 197 " --> pdb=" O   ASP K 193 " (cutoff:3.500A)
    Processing helix  chain 'K' and resid 208 through 226
    Processing helix  chain 'L' and resid 96 through 114
      Proline residue:  L 102  - end of helix
    Processing helix  chain 'L' and resid 117 through 119
      No H-bonds generated for 'chain 'L' and resid 117 through 119'
    Processing helix  chain 'L' and resid 128 through 130
      No H-bonds generated for 'chain 'L' and resid 128 through 130'
    Processing helix  chain 'L' and resid 131 through 141
    Processing helix  chain 'L' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY L 181 " --> pdb=" O   GLY L 177 " (cutoff:3.500A)
    Processing helix  chain 'L' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA L 197 " --> pdb=" O   ASP L 193 " (cutoff:3.500A)
    Processing helix  chain 'L' and resid 208 through 226
    Processing helix  chain 'M' and resid 96 through 114
      Proline residue:  M 102  - end of helix
    Processing helix  chain 'M' and resid 117 through 119
      No H-bonds generated for 'chain 'M' and resid 117 through 119'
    Processing helix  chain 'M' and resid 128 through 130
      No H-bonds generated for 'chain 'M' and resid 128 through 130'
    Processing helix  chain 'M' and resid 131 through 141
    Processing helix  chain 'M' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY M 181 " --> pdb=" O   GLY M 177 " (cutoff:3.500A)
    Processing helix  chain 'M' and resid 193 through 200
      removed outlier: 3.791A  pdb=" N   ALA M 197 " --> pdb=" O   ASP M 193 " (cutoff:3.500A)
    Processing helix  chain 'M' and resid 208 through 226
    Processing helix  chain 'N' and resid 96 through 114
      Proline residue:  N 102  - end of helix
    Processing helix  chain 'N' and resid 117 through 119
      No H-bonds generated for 'chain 'N' and resid 117 through 119'
    Processing helix  chain 'N' and resid 128 through 130
      No H-bonds generated for 'chain 'N' and resid 128 through 130'
    Processing helix  chain 'N' and resid 131 through 141
    Processing helix  chain 'N' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY N 181 " --> pdb=" O   GLY N 177 " (cutoff:3.500A)
    Processing helix  chain 'N' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA N 197 " --> pdb=" O   ASP N 193 " (cutoff:3.500A)
    Processing helix  chain 'N' and resid 208 through 226
    Processing helix  chain 'O' and resid 96 through 114
      Proline residue:  O 102  - end of helix
    Processing helix  chain 'O' and resid 117 through 119
      No H-bonds generated for 'chain 'O' and resid 117 through 119'
    Processing helix  chain 'O' and resid 128 through 130
      No H-bonds generated for 'chain 'O' and resid 128 through 130'
    Processing helix  chain 'O' and resid 131 through 141
    Processing helix  chain 'O' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY O 181 " --> pdb=" O   GLY O 177 " (cutoff:3.500A)
    Processing helix  chain 'O' and resid 193 through 200
      removed outlier: 3.791A  pdb=" N   ALA O 197 " --> pdb=" O   ASP O 193 " (cutoff:3.500A)
    Processing helix  chain 'O' and resid 208 through 226
    Processing helix  chain 'P' and resid 96 through 114
      Proline residue:  P 102  - end of helix
    Processing helix  chain 'P' and resid 117 through 119
      No H-bonds generated for 'chain 'P' and resid 117 through 119'
    Processing helix  chain 'P' and resid 128 through 130
      No H-bonds generated for 'chain 'P' and resid 128 through 130'
    Processing helix  chain 'P' and resid 131 through 141
    Processing helix  chain 'P' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY P 181 " --> pdb=" O   GLY P 177 " (cutoff:3.500A)
    Processing helix  chain 'P' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA P 197 " --> pdb=" O   ASP P 193 " (cutoff:3.500A)
    Processing helix  chain 'P' and resid 208 through 226
    Processing helix  chain 'Q' and resid 96 through 114
      Proline residue:  Q 102  - end of helix
    Processing helix  chain 'Q' and resid 117 through 119
      No H-bonds generated for 'chain 'Q' and resid 117 through 119'
    Processing helix  chain 'Q' and resid 128 through 130
      No H-bonds generated for 'chain 'Q' and resid 128 through 130'
    Processing helix  chain 'Q' and resid 131 through 141
    Processing helix  chain 'Q' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY Q 181 " --> pdb=" O   GLY Q 177 " (cutoff:3.500A)
    Processing helix  chain 'Q' and resid 193 through 200
      removed outlier: 3.791A  pdb=" N   ALA Q 197 " --> pdb=" O   ASP Q 193 " (cutoff:3.500A)
    Processing helix  chain 'Q' and resid 208 through 226
    Processing helix  chain 'R' and resid 96 through 114
      Proline residue:  R 102  - end of helix
    Processing helix  chain 'R' and resid 117 through 119
      No H-bonds generated for 'chain 'R' and resid 117 through 119'
    Processing helix  chain 'R' and resid 128 through 130
      No H-bonds generated for 'chain 'R' and resid 128 through 130'
    Processing helix  chain 'R' and resid 131 through 141
    Processing helix  chain 'R' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY R 181 " --> pdb=" O   GLY R 177 " (cutoff:3.500A)
    Processing helix  chain 'R' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA R 197 " --> pdb=" O   ASP R 193 " (cutoff:3.500A)
    Processing helix  chain 'R' and resid 208 through 226
    Processing helix  chain 'S' and resid 96 through 114
      Proline residue:  S 102  - end of helix
    Processing helix  chain 'S' and resid 117 through 119
      No H-bonds generated for 'chain 'S' and resid 117 through 119'
    Processing helix  chain 'S' and resid 128 through 130
      No H-bonds generated for 'chain 'S' and resid 128 through 130'
    Processing helix  chain 'S' and resid 131 through 141
    Processing helix  chain 'S' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY S 181 " --> pdb=" O   GLY S 177 " (cutoff:3.500A)
    Processing helix  chain 'S' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA S 197 " --> pdb=" O   ASP S 193 " (cutoff:3.500A)
    Processing helix  chain 'S' and resid 208 through 226
    Processing helix  chain 'T' and resid 96 through 114
      Proline residue:  T 102  - end of helix
    Processing helix  chain 'T' and resid 117 through 119
      No H-bonds generated for 'chain 'T' and resid 117 through 119'
    Processing helix  chain 'T' and resid 128 through 130
      No H-bonds generated for 'chain 'T' and resid 128 through 130'
    Processing helix  chain 'T' and resid 131 through 141
    Processing helix  chain 'T' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY T 181 " --> pdb=" O   GLY T 177 " (cutoff:3.500A)
    Processing helix  chain 'T' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA T 197 " --> pdb=" O   ASP T 193 " (cutoff:3.500A)
    Processing helix  chain 'T' and resid 208 through 226
    Processing helix  chain 'U' and resid 96 through 114
      Proline residue:  U 102  - end of helix
    Processing helix  chain 'U' and resid 117 through 119
      No H-bonds generated for 'chain 'U' and resid 117 through 119'
    Processing helix  chain 'U' and resid 128 through 130
      No H-bonds generated for 'chain 'U' and resid 128 through 130'
    Processing helix  chain 'U' and resid 131 through 141
    Processing helix  chain 'U' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY U 181 " --> pdb=" O   GLY U 177 " (cutoff:3.500A)
    Processing helix  chain 'U' and resid 193 through 200
      removed outlier: 3.791A  pdb=" N   ALA U 197 " --> pdb=" O   ASP U 193 " (cutoff:3.500A)
    Processing helix  chain 'U' and resid 208 through 226
    Processing helix  chain 'V' and resid 96 through 114
      Proline residue:  V 102  - end of helix
    Processing helix  chain 'V' and resid 117 through 119
      No H-bonds generated for 'chain 'V' and resid 117 through 119'
    Processing helix  chain 'V' and resid 128 through 130
      No H-bonds generated for 'chain 'V' and resid 128 through 130'
    Processing helix  chain 'V' and resid 131 through 141
    Processing helix  chain 'V' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY V 181 " --> pdb=" O   GLY V 177 " (cutoff:3.500A)
    Processing helix  chain 'V' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA V 197 " --> pdb=" O   ASP V 193 " (cutoff:3.500A)
    Processing helix  chain 'V' and resid 208 through 226
    Processing helix  chain 'W' and resid 96 through 114
      Proline residue:  W 102  - end of helix
    Processing helix  chain 'W' and resid 117 through 119
      No H-bonds generated for 'chain 'W' and resid 117 through 119'
    Processing helix  chain 'W' and resid 128 through 130
      No H-bonds generated for 'chain 'W' and resid 128 through 130'
    Processing helix  chain 'W' and resid 131 through 141
    Processing helix  chain 'W' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY W 181 " --> pdb=" O   GLY W 177 " (cutoff:3.500A)
    Processing helix  chain 'W' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA W 197 " --> pdb=" O   ASP W 193 " (cutoff:3.500A)
    Processing helix  chain 'W' and resid 208 through 226
    Processing helix  chain 'X' and resid 96 through 114
      Proline residue:  X 102  - end of helix
    Processing helix  chain 'X' and resid 117 through 119
      No H-bonds generated for 'chain 'X' and resid 117 through 119'
    Processing helix  chain 'X' and resid 128 through 130
      No H-bonds generated for 'chain 'X' and resid 128 through 130'
    Processing helix  chain 'X' and resid 131 through 141
    Processing helix  chain 'X' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY X 181 " --> pdb=" O   GLY X 177 " (cutoff:3.500A)
    Processing helix  chain 'X' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA X 197 " --> pdb=" O   ASP X 193 " (cutoff:3.500A)
    Processing helix  chain 'X' and resid 208 through 226
    Processing helix  chain 'Y' and resid 96 through 114
      Proline residue:  Y 102  - end of helix
    Processing helix  chain 'Y' and resid 117 through 119
      No H-bonds generated for 'chain 'Y' and resid 117 through 119'
    Processing helix  chain 'Y' and resid 128 through 130
      No H-bonds generated for 'chain 'Y' and resid 128 through 130'
    Processing helix  chain 'Y' and resid 131 through 141
    Processing helix  chain 'Y' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY Y 181 " --> pdb=" O   GLY Y 177 " (cutoff:3.500A)
    Processing helix  chain 'Y' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA Y 197 " --> pdb=" O   ASP Y 193 " (cutoff:3.500A)
    Processing helix  chain 'Y' and resid 208 through 226
    Processing helix  chain 'Z' and resid 96 through 114
      Proline residue:  Z 102  - end of helix
    Processing helix  chain 'Z' and resid 117 through 119
      No H-bonds generated for 'chain 'Z' and resid 117 through 119'
    Processing helix  chain 'Z' and resid 128 through 130
      No H-bonds generated for 'chain 'Z' and resid 128 through 130'
    Processing helix  chain 'Z' and resid 131 through 141
    Processing helix  chain 'Z' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY Z 181 " --> pdb=" O   GLY Z 177 " (cutoff:3.500A)
    Processing helix  chain 'Z' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA Z 197 " --> pdb=" O   ASP Z 193 " (cutoff:3.500A)
    Processing helix  chain 'Z' and resid 208 through 226
    Processing helix  chain '0' and resid 96 through 114
      Proline residue:  0 102  - end of helix
    Processing helix  chain '0' and resid 117 through 119
      No H-bonds generated for 'chain '0' and resid 117 through 119'
    Processing helix  chain '0' and resid 128 through 130
      No H-bonds generated for 'chain '0' and resid 128 through 130'
    Processing helix  chain '0' and resid 131 through 141
    Processing helix  chain '0' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY 0 181 " --> pdb=" O   GLY 0 177 " (cutoff:3.500A)
    Processing helix  chain '0' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA 0 197 " --> pdb=" O   ASP 0 193 " (cutoff:3.500A)
    Processing helix  chain '0' and resid 208 through 226
    Processing helix  chain '1' and resid 96 through 114
      Proline residue:  1 102  - end of helix
    Processing helix  chain '1' and resid 117 through 119
      No H-bonds generated for 'chain '1' and resid 117 through 119'
    Processing helix  chain '1' and resid 128 through 130
      No H-bonds generated for 'chain '1' and resid 128 through 130'
    Processing helix  chain '1' and resid 131 through 141
    Processing helix  chain '1' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY 1 181 " --> pdb=" O   GLY 1 177 " (cutoff:3.500A)
    Processing helix  chain '1' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA 1 197 " --> pdb=" O   ASP 1 193 " (cutoff:3.500A)
    Processing helix  chain '1' and resid 208 through 226
    Processing helix  chain '2' and resid 96 through 114
      Proline residue:  2 102  - end of helix
    Processing helix  chain '2' and resid 117 through 119
      No H-bonds generated for 'chain '2' and resid 117 through 119'
    Processing helix  chain '2' and resid 128 through 130
      No H-bonds generated for 'chain '2' and resid 128 through 130'
    Processing helix  chain '2' and resid 131 through 141
    Processing helix  chain '2' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY 2 181 " --> pdb=" O   GLY 2 177 " (cutoff:3.500A)
    Processing helix  chain '2' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA 2 197 " --> pdb=" O   ASP 2 193 " (cutoff:3.500A)
    Processing helix  chain '2' and resid 208 through 226
    Processing helix  chain '3' and resid 96 through 114
      Proline residue:  3 102  - end of helix
    Processing helix  chain '3' and resid 117 through 119
      No H-bonds generated for 'chain '3' and resid 117 through 119'
    Processing helix  chain '3' and resid 128 through 130
      No H-bonds generated for 'chain '3' and resid 128 through 130'
    Processing helix  chain '3' and resid 131 through 141
    Processing helix  chain '3' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY 3 181 " --> pdb=" O   GLY 3 177 " (cutoff:3.500A)
    Processing helix  chain '3' and resid 193 through 200
      removed outlier: 3.791A  pdb=" N   ALA 3 197 " --> pdb=" O   ASP 3 193 " (cutoff:3.500A)
    Processing helix  chain '3' and resid 208 through 226
    Processing helix  chain '4' and resid 96 through 114
      Proline residue:  4 102  - end of helix
    Processing helix  chain '4' and resid 117 through 119
      No H-bonds generated for 'chain '4' and resid 117 through 119'
    Processing helix  chain '4' and resid 128 through 130
      No H-bonds generated for 'chain '4' and resid 128 through 130'
    Processing helix  chain '4' and resid 131 through 141
    Processing helix  chain '4' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY 4 181 " --> pdb=" O   GLY 4 177 " (cutoff:3.500A)
    Processing helix  chain '4' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA 4 197 " --> pdb=" O   ASP 4 193 " (cutoff:3.500A)
    Processing helix  chain '4' and resid 208 through 226
    Processing helix  chain '5' and resid 96 through 114
      Proline residue:  5 102  - end of helix
    Processing helix  chain '5' and resid 117 through 119
      No H-bonds generated for 'chain '5' and resid 117 through 119'
    Processing helix  chain '5' and resid 128 through 130
      No H-bonds generated for 'chain '5' and resid 128 through 130'
    Processing helix  chain '5' and resid 131 through 141
    Processing helix  chain '5' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY 5 181 " --> pdb=" O   GLY 5 177 " (cutoff:3.500A)
    Processing helix  chain '5' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA 5 197 " --> pdb=" O   ASP 5 193 " (cutoff:3.500A)
    Processing helix  chain '5' and resid 208 through 226
    Processing helix  chain '6' and resid 96 through 114
      Proline residue:  6 102  - end of helix
    Processing helix  chain '6' and resid 117 through 119
      No H-bonds generated for 'chain '6' and resid 117 through 119'
    Processing helix  chain '6' and resid 128 through 130
      No H-bonds generated for 'chain '6' and resid 128 through 130'
    Processing helix  chain '6' and resid 131 through 141
    Processing helix  chain '6' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY 6 181 " --> pdb=" O   GLY 6 177 " (cutoff:3.500A)
    Processing helix  chain '6' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA 6 197 " --> pdb=" O   ASP 6 193 " (cutoff:3.500A)
    Processing helix  chain '6' and resid 208 through 226
    Processing helix  chain '7' and resid 96 through 114
      Proline residue:  7 102  - end of helix
    Processing helix  chain '7' and resid 117 through 119
      No H-bonds generated for 'chain '7' and resid 117 through 119'
    Processing helix  chain '7' and resid 128 through 130
      No H-bonds generated for 'chain '7' and resid 128 through 130'
    Processing helix  chain '7' and resid 131 through 141
    Processing helix  chain '7' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY 7 181 " --> pdb=" O   GLY 7 177 " (cutoff:3.500A)
    Processing helix  chain '7' and resid 193 through 200
      removed outlier: 3.791A  pdb=" N   ALA 7 197 " --> pdb=" O   ASP 7 193 " (cutoff:3.500A)
    Processing helix  chain '7' and resid 208 through 226
    Processing helix  chain '8' and resid 96 through 114
      Proline residue:  8 102  - end of helix
    Processing helix  chain '8' and resid 117 through 119
      No H-bonds generated for 'chain '8' and resid 117 through 119'
    Processing helix  chain '8' and resid 128 through 130
      No H-bonds generated for 'chain '8' and resid 128 through 130'
    Processing helix  chain '8' and resid 131 through 141
    Processing helix  chain '8' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY 8 181 " --> pdb=" O   GLY 8 177 " (cutoff:3.500A)
    Processing helix  chain '8' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA 8 197 " --> pdb=" O   ASP 8 193 " (cutoff:3.500A)
    Processing helix  chain '8' and resid 208 through 226
    Processing helix  chain '9' and resid 96 through 114
      Proline residue:  9 102  - end of helix
    Processing helix  chain '9' and resid 117 through 119
      No H-bonds generated for 'chain '9' and resid 117 through 119'
    Processing helix  chain '9' and resid 128 through 130
      No H-bonds generated for 'chain '9' and resid 128 through 130'
    Processing helix  chain '9' and resid 131 through 141
    Processing helix  chain '9' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY 9 181 " --> pdb=" O   GLY 9 177 " (cutoff:3.500A)
    Processing helix  chain '9' and resid 193 through 200
      removed outlier: 3.791A  pdb=" N   ALA 9 197 " --> pdb=" O   ASP 9 193 " (cutoff:3.500A)
    Processing helix  chain '9' and resid 208 through 226
    Processing helix  chain 'a' and resid 96 through 114
      Proline residue:  a 102  - end of helix
    Processing helix  chain 'a' and resid 117 through 119
      No H-bonds generated for 'chain 'a' and resid 117 through 119'
    Processing helix  chain 'a' and resid 128 through 130
      No H-bonds generated for 'chain 'a' and resid 128 through 130'
    Processing helix  chain 'a' and resid 131 through 141
    Processing helix  chain 'a' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY a 181 " --> pdb=" O   GLY a 177 " (cutoff:3.500A)
    Processing helix  chain 'a' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA a 197 " --> pdb=" O   ASP a 193 " (cutoff:3.500A)
    Processing helix  chain 'a' and resid 208 through 226
    Processing helix  chain 'b' and resid 96 through 114
      Proline residue:  b 102  - end of helix
    Processing helix  chain 'b' and resid 117 through 119
      No H-bonds generated for 'chain 'b' and resid 117 through 119'
    Processing helix  chain 'b' and resid 128 through 130
      No H-bonds generated for 'chain 'b' and resid 128 through 130'
    Processing helix  chain 'b' and resid 131 through 141
    Processing helix  chain 'b' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY b 181 " --> pdb=" O   GLY b 177 " (cutoff:3.500A)
    Processing helix  chain 'b' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA b 197 " --> pdb=" O   ASP b 193 " (cutoff:3.500A)
    Processing helix  chain 'b' and resid 208 through 226
    Processing helix  chain 'c' and resid 96 through 114
      Proline residue:  c 102  - end of helix
    Processing helix  chain 'c' and resid 117 through 119
      No H-bonds generated for 'chain 'c' and resid 117 through 119'
    Processing helix  chain 'c' and resid 128 through 130
      No H-bonds generated for 'chain 'c' and resid 128 through 130'
    Processing helix  chain 'c' and resid 131 through 141
    Processing helix  chain 'c' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY c 181 " --> pdb=" O   GLY c 177 " (cutoff:3.500A)
    Processing helix  chain 'c' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA c 197 " --> pdb=" O   ASP c 193 " (cutoff:3.500A)
    Processing helix  chain 'c' and resid 208 through 226
    Processing helix  chain 'd' and resid 96 through 114
      Proline residue:  d 102  - end of helix
    Processing helix  chain 'd' and resid 117 through 119
      No H-bonds generated for 'chain 'd' and resid 117 through 119'
    Processing helix  chain 'd' and resid 128 through 130
      No H-bonds generated for 'chain 'd' and resid 128 through 130'
    Processing helix  chain 'd' and resid 131 through 141
    Processing helix  chain 'd' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY d 181 " --> pdb=" O   GLY d 177 " (cutoff:3.500A)
    Processing helix  chain 'd' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA d 197 " --> pdb=" O   ASP d 193 " (cutoff:3.500A)
    Processing helix  chain 'd' and resid 208 through 226
    Processing helix  chain 'e' and resid 96 through 114
      Proline residue:  e 102  - end of helix
    Processing helix  chain 'e' and resid 117 through 119
      No H-bonds generated for 'chain 'e' and resid 117 through 119'
    Processing helix  chain 'e' and resid 128 through 130
      No H-bonds generated for 'chain 'e' and resid 128 through 130'
    Processing helix  chain 'e' and resid 131 through 141
    Processing helix  chain 'e' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY e 181 " --> pdb=" O   GLY e 177 " (cutoff:3.500A)
    Processing helix  chain 'e' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA e 197 " --> pdb=" O   ASP e 193 " (cutoff:3.500A)
    Processing helix  chain 'e' and resid 208 through 226
    Processing helix  chain 'f' and resid 96 through 114
      Proline residue:  f 102  - end of helix
    Processing helix  chain 'f' and resid 117 through 119
      No H-bonds generated for 'chain 'f' and resid 117 through 119'
    Processing helix  chain 'f' and resid 128 through 130
      No H-bonds generated for 'chain 'f' and resid 128 through 130'
    Processing helix  chain 'f' and resid 131 through 141
    Processing helix  chain 'f' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY f 181 " --> pdb=" O   GLY f 177 " (cutoff:3.500A)
    Processing helix  chain 'f' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA f 197 " --> pdb=" O   ASP f 193 " (cutoff:3.500A)
    Processing helix  chain 'f' and resid 208 through 226
    Processing helix  chain 'g' and resid 96 through 114
      Proline residue:  g 102  - end of helix
    Processing helix  chain 'g' and resid 117 through 119
      No H-bonds generated for 'chain 'g' and resid 117 through 119'
    Processing helix  chain 'g' and resid 128 through 130
      No H-bonds generated for 'chain 'g' and resid 128 through 130'
    Processing helix  chain 'g' and resid 131 through 141
    Processing helix  chain 'g' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY g 181 " --> pdb=" O   GLY g 177 " (cutoff:3.500A)
    Processing helix  chain 'g' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA g 197 " --> pdb=" O   ASP g 193 " (cutoff:3.500A)
    Processing helix  chain 'g' and resid 208 through 226
    Processing helix  chain 'h' and resid 96 through 114
      Proline residue:  h 102  - end of helix
    Processing helix  chain 'h' and resid 117 through 119
      No H-bonds generated for 'chain 'h' and resid 117 through 119'
    Processing helix  chain 'h' and resid 128 through 130
      No H-bonds generated for 'chain 'h' and resid 128 through 130'
    Processing helix  chain 'h' and resid 131 through 141
    Processing helix  chain 'h' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY h 181 " --> pdb=" O   GLY h 177 " (cutoff:3.500A)
    Processing helix  chain 'h' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA h 197 " --> pdb=" O   ASP h 193 " (cutoff:3.500A)
    Processing helix  chain 'h' and resid 208 through 226
    Processing helix  chain 'i' and resid 96 through 114
      Proline residue:  i 102  - end of helix
    Processing helix  chain 'i' and resid 117 through 119
      No H-bonds generated for 'chain 'i' and resid 117 through 119'
    Processing helix  chain 'i' and resid 128 through 130
      No H-bonds generated for 'chain 'i' and resid 128 through 130'
    Processing helix  chain 'i' and resid 131 through 141
    Processing helix  chain 'i' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY i 181 " --> pdb=" O   GLY i 177 " (cutoff:3.500A)
    Processing helix  chain 'i' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA i 197 " --> pdb=" O   ASP i 193 " (cutoff:3.500A)
    Processing helix  chain 'i' and resid 208 through 226
    Processing helix  chain 'j' and resid 96 through 114
      Proline residue:  j 102  - end of helix
    Processing helix  chain 'j' and resid 117 through 119
      No H-bonds generated for 'chain 'j' and resid 117 through 119'
    Processing helix  chain 'j' and resid 128 through 130
      No H-bonds generated for 'chain 'j' and resid 128 through 130'
    Processing helix  chain 'j' and resid 131 through 141
    Processing helix  chain 'j' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY j 181 " --> pdb=" O   GLY j 177 " (cutoff:3.500A)
    Processing helix  chain 'j' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA j 197 " --> pdb=" O   ASP j 193 " (cutoff:3.500A)
    Processing helix  chain 'j' and resid 208 through 226
    Processing helix  chain 'k' and resid 96 through 114
      Proline residue:  k 102  - end of helix
    Processing helix  chain 'k' and resid 117 through 119
      No H-bonds generated for 'chain 'k' and resid 117 through 119'
    Processing helix  chain 'k' and resid 128 through 130
      No H-bonds generated for 'chain 'k' and resid 128 through 130'
    Processing helix  chain 'k' and resid 131 through 141
    Processing helix  chain 'k' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY k 181 " --> pdb=" O   GLY k 177 " (cutoff:3.500A)
    Processing helix  chain 'k' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA k 197 " --> pdb=" O   ASP k 193 " (cutoff:3.500A)
    Processing helix  chain 'k' and resid 208 through 226
    Processing helix  chain 'l' and resid 96 through 114
      Proline residue:  l 102  - end of helix
    Processing helix  chain 'l' and resid 117 through 119
      No H-bonds generated for 'chain 'l' and resid 117 through 119'
    Processing helix  chain 'l' and resid 128 through 130
      No H-bonds generated for 'chain 'l' and resid 128 through 130'
    Processing helix  chain 'l' and resid 131 through 141
    Processing helix  chain 'l' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY l 181 " --> pdb=" O   GLY l 177 " (cutoff:3.500A)
    Processing helix  chain 'l' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA l 197 " --> pdb=" O   ASP l 193 " (cutoff:3.500A)
    Processing helix  chain 'l' and resid 208 through 226
    Processing helix  chain 'm' and resid 96 through 114
      Proline residue:  m 102  - end of helix
    Processing helix  chain 'm' and resid 117 through 119
      No H-bonds generated for 'chain 'm' and resid 117 through 119'
    Processing helix  chain 'm' and resid 128 through 130
      No H-bonds generated for 'chain 'm' and resid 128 through 130'
    Processing helix  chain 'm' and resid 131 through 141
    Processing helix  chain 'm' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY m 181 " --> pdb=" O   GLY m 177 " (cutoff:3.500A)
    Processing helix  chain 'm' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA m 197 " --> pdb=" O   ASP m 193 " (cutoff:3.500A)
    Processing helix  chain 'm' and resid 208 through 226
    Processing helix  chain 'n' and resid 96 through 114
      Proline residue:  n 102  - end of helix
    Processing helix  chain 'n' and resid 117 through 119
      No H-bonds generated for 'chain 'n' and resid 117 through 119'
    Processing helix  chain 'n' and resid 128 through 130
      No H-bonds generated for 'chain 'n' and resid 128 through 130'
    Processing helix  chain 'n' and resid 131 through 141
    Processing helix  chain 'n' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY n 181 " --> pdb=" O   GLY n 177 " (cutoff:3.500A)
    Processing helix  chain 'n' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA n 197 " --> pdb=" O   ASP n 193 " (cutoff:3.500A)
    Processing helix  chain 'n' and resid 208 through 226
    Processing helix  chain 'o' and resid 96 through 114
      Proline residue:  o 102  - end of helix
    Processing helix  chain 'o' and resid 117 through 119
      No H-bonds generated for 'chain 'o' and resid 117 through 119'
    Processing helix  chain 'o' and resid 128 through 130
      No H-bonds generated for 'chain 'o' and resid 128 through 130'
    Processing helix  chain 'o' and resid 131 through 141
    Processing helix  chain 'o' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY o 181 " --> pdb=" O   GLY o 177 " (cutoff:3.500A)
    Processing helix  chain 'o' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA o 197 " --> pdb=" O   ASP o 193 " (cutoff:3.500A)
    Processing helix  chain 'o' and resid 208 through 226
    Processing helix  chain 'p' and resid 96 through 114
      Proline residue:  p 102  - end of helix
    Processing helix  chain 'p' and resid 117 through 119
      No H-bonds generated for 'chain 'p' and resid 117 through 119'
    Processing helix  chain 'p' and resid 128 through 130
      No H-bonds generated for 'chain 'p' and resid 128 through 130'
    Processing helix  chain 'p' and resid 131 through 141
    Processing helix  chain 'p' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY p 181 " --> pdb=" O   GLY p 177 " (cutoff:3.500A)
    Processing helix  chain 'p' and resid 193 through 200
      removed outlier: 3.791A  pdb=" N   ALA p 197 " --> pdb=" O   ASP p 193 " (cutoff:3.500A)
    Processing helix  chain 'p' and resid 208 through 226
    Processing helix  chain 'q' and resid 96 through 114
      Proline residue:  q 102  - end of helix
    Processing helix  chain 'q' and resid 117 through 119
      No H-bonds generated for 'chain 'q' and resid 117 through 119'
    Processing helix  chain 'q' and resid 128 through 130
      No H-bonds generated for 'chain 'q' and resid 128 through 130'
    Processing helix  chain 'q' and resid 131 through 141
    Processing helix  chain 'q' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY q 181 " --> pdb=" O   GLY q 177 " (cutoff:3.500A)
    Processing helix  chain 'q' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA q 197 " --> pdb=" O   ASP q 193 " (cutoff:3.500A)
    Processing helix  chain 'q' and resid 208 through 226
    Processing helix  chain 'r' and resid 96 through 114
      Proline residue:  r 102  - end of helix
    Processing helix  chain 'r' and resid 117 through 119
      No H-bonds generated for 'chain 'r' and resid 117 through 119'
    Processing helix  chain 'r' and resid 128 through 130
      No H-bonds generated for 'chain 'r' and resid 128 through 130'
    Processing helix  chain 'r' and resid 131 through 141
    Processing helix  chain 'r' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY r 181 " --> pdb=" O   GLY r 177 " (cutoff:3.500A)
    Processing helix  chain 'r' and resid 193 through 200
      removed outlier: 3.791A  pdb=" N   ALA r 197 " --> pdb=" O   ASP r 193 " (cutoff:3.500A)
    Processing helix  chain 'r' and resid 208 through 226
    Processing helix  chain 's' and resid 96 through 114
      Proline residue:  s 102  - end of helix
    Processing helix  chain 's' and resid 117 through 119
      No H-bonds generated for 'chain 's' and resid 117 through 119'
    Processing helix  chain 's' and resid 128 through 130
      No H-bonds generated for 'chain 's' and resid 128 through 130'
    Processing helix  chain 's' and resid 131 through 141
    Processing helix  chain 's' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY s 181 " --> pdb=" O   GLY s 177 " (cutoff:3.500A)
    Processing helix  chain 's' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA s 197 " --> pdb=" O   ASP s 193 " (cutoff:3.500A)
    Processing helix  chain 's' and resid 208 through 226
    Processing helix  chain 't' and resid 96 through 114
      Proline residue:  t 102  - end of helix
    Processing helix  chain 't' and resid 117 through 119
      No H-bonds generated for 'chain 't' and resid 117 through 119'
    Processing helix  chain 't' and resid 128 through 130
      No H-bonds generated for 'chain 't' and resid 128 through 130'
    Processing helix  chain 't' and resid 131 through 141
    Processing helix  chain 't' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY t 181 " --> pdb=" O   GLY t 177 " (cutoff:3.500A)
    Processing helix  chain 't' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA t 197 " --> pdb=" O   ASP t 193 " (cutoff:3.500A)
    Processing helix  chain 't' and resid 208 through 226
    Processing helix  chain 'u' and resid 96 through 114
      Proline residue:  u 102  - end of helix
    Processing helix  chain 'u' and resid 117 through 119
      No H-bonds generated for 'chain 'u' and resid 117 through 119'
    Processing helix  chain 'u' and resid 128 through 130
      No H-bonds generated for 'chain 'u' and resid 128 through 130'
    Processing helix  chain 'u' and resid 131 through 141
    Processing helix  chain 'u' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY u 181 " --> pdb=" O   GLY u 177 " (cutoff:3.500A)
    Processing helix  chain 'u' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA u 197 " --> pdb=" O   ASP u 193 " (cutoff:3.500A)
    Processing helix  chain 'u' and resid 208 through 226
    Processing helix  chain 'v' and resid 96 through 114
      Proline residue:  v 102  - end of helix
    Processing helix  chain 'v' and resid 117 through 119
      No H-bonds generated for 'chain 'v' and resid 117 through 119'
    Processing helix  chain 'v' and resid 128 through 130
      No H-bonds generated for 'chain 'v' and resid 128 through 130'
    Processing helix  chain 'v' and resid 131 through 141
    Processing helix  chain 'v' and resid 162 through 181
      removed outlier: 3.810A  pdb=" N   GLY v 181 " --> pdb=" O   GLY v 177 " (cutoff:3.500A)
    Processing helix  chain 'v' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA v 197 " --> pdb=" O   ASP v 193 " (cutoff:3.500A)
    Processing helix  chain 'v' and resid 208 through 226
    Processing helix  chain 'w' and resid 96 through 114
      Proline residue:  w 102  - end of helix
    Processing helix  chain 'w' and resid 117 through 119
      No H-bonds generated for 'chain 'w' and resid 117 through 119'
    Processing helix  chain 'w' and resid 128 through 130
      No H-bonds generated for 'chain 'w' and resid 128 through 130'
    Processing helix  chain 'w' and resid 131 through 141
    Processing helix  chain 'w' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY w 181 " --> pdb=" O   GLY w 177 " (cutoff:3.500A)
    Processing helix  chain 'w' and resid 193 through 200
      removed outlier: 3.790A  pdb=" N   ALA w 197 " --> pdb=" O   ASP w 193 " (cutoff:3.500A)
    Processing helix  chain 'w' and resid 208 through 226
    Processing helix  chain 'x' and resid 96 through 114
      Proline residue:  x 102  - end of helix
    Processing helix  chain 'x' and resid 117 through 119
      No H-bonds generated for 'chain 'x' and resid 117 through 119'
    Processing helix  chain 'x' and resid 128 through 130
      No H-bonds generated for 'chain 'x' and resid 128 through 130'
    Processing helix  chain 'x' and resid 131 through 141
    Processing helix  chain 'x' and resid 162 through 181
      removed outlier: 3.811A  pdb=" N   GLY x 181 " --> pdb=" O   GLY x 177 " (cutoff:3.500A)
    Processing helix  chain 'x' and resid 193 through 200
      removed outlier: 3.791A  pdb=" N   ALA x 197 " --> pdb=" O   ASP x 193 " (cutoff:3.500A)
    Processing helix  chain 'x' and resid 208 through 226
    Processing sheet with id=1, first strand: chain 'A' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA A 153 " --> pdb=" O   ALA A  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE A 148 " --> pdb=" O   ILE A 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY A 187 " --> pdb=" O   ILE A 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS A 150 " --> pdb=" O   GLY A 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU A 189 " --> pdb=" O   CYS A 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY A 152 " --> pdb=" O   LEU A 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS A 191 " --> pdb=" O   GLY A 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL A 154 " --> pdb=" O   CYS A 191 " (cutoff:3.500A)
    Processing sheet with id=2, first strand: chain 'A' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY A 206 " --> pdb=" O   GLY A 202 " (cutoff:3.500A)
    Processing sheet with id=3, first strand: chain 'B' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA B 153 " --> pdb=" O   ALA B  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE B 148 " --> pdb=" O   ILE B 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY B 187 " --> pdb=" O   ILE B 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS B 150 " --> pdb=" O   GLY B 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU B 189 " --> pdb=" O   CYS B 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY B 152 " --> pdb=" O   LEU B 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS B 191 " --> pdb=" O   GLY B 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL B 154 " --> pdb=" O   CYS B 191 " (cutoff:3.500A)
    Processing sheet with id=4, first strand: chain 'B' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY B 206 " --> pdb=" O   GLY B 202 " (cutoff:3.500A)
    Processing sheet with id=5, first strand: chain 'C' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA C 153 " --> pdb=" O   ALA C  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE C 148 " --> pdb=" O   ILE C 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY C 187 " --> pdb=" O   ILE C 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS C 150 " --> pdb=" O   GLY C 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU C 189 " --> pdb=" O   CYS C 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY C 152 " --> pdb=" O   LEU C 189 " (cutoff:3.500A)
      removed outlier: 7.896A  pdb=" N   CYS C 191 " --> pdb=" O   GLY C 152 " (cutoff:3.500A)
      removed outlier: 6.032A  pdb=" N   VAL C 154 " --> pdb=" O   CYS C 191 " (cutoff:3.500A)
    Processing sheet with id=6, first strand: chain 'C' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY C 206 " --> pdb=" O   GLY C 202 " (cutoff:3.500A)
    Processing sheet with id=7, first strand: chain 'D' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA D 153 " --> pdb=" O   ALA D  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE D 148 " --> pdb=" O   ILE D 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY D 187 " --> pdb=" O   ILE D 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS D 150 " --> pdb=" O   GLY D 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU D 189 " --> pdb=" O   CYS D 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY D 152 " --> pdb=" O   LEU D 189 " (cutoff:3.500A)
      removed outlier: 7.896A  pdb=" N   CYS D 191 " --> pdb=" O   GLY D 152 " (cutoff:3.500A)
      removed outlier: 6.032A  pdb=" N   VAL D 154 " --> pdb=" O   CYS D 191 " (cutoff:3.500A)
    Processing sheet with id=8, first strand: chain 'D' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY D 206 " --> pdb=" O   GLY D 202 " (cutoff:3.500A)
    Processing sheet with id=9, first strand: chain 'E' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA E 153 " --> pdb=" O   ALA E  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE E 148 " --> pdb=" O   ILE E 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY E 187 " --> pdb=" O   ILE E 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS E 150 " --> pdb=" O   GLY E 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU E 189 " --> pdb=" O   CYS E 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY E 152 " --> pdb=" O   LEU E 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS E 191 " --> pdb=" O   GLY E 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL E 154 " --> pdb=" O   CYS E 191 " (cutoff:3.500A)
    Processing sheet with id=10, first strand: chain 'E' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY E 206 " --> pdb=" O   GLY E 202 " (cutoff:3.500A)
    Processing sheet with id=11, first strand: chain 'F' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA F 153 " --> pdb=" O   ALA F  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE F 148 " --> pdb=" O   ILE F 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY F 187 " --> pdb=" O   ILE F 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS F 150 " --> pdb=" O   GLY F 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU F 189 " --> pdb=" O   CYS F 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY F 152 " --> pdb=" O   LEU F 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS F 191 " --> pdb=" O   GLY F 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL F 154 " --> pdb=" O   CYS F 191 " (cutoff:3.500A)
    Processing sheet with id=12, first strand: chain 'F' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY F 206 " --> pdb=" O   GLY F 202 " (cutoff:3.500A)
    Processing sheet with id=13, first strand: chain 'G' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA G 153 " --> pdb=" O   ALA G  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE G 148 " --> pdb=" O   ILE G 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY G 187 " --> pdb=" O   ILE G 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS G 150 " --> pdb=" O   GLY G 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU G 189 " --> pdb=" O   CYS G 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY G 152 " --> pdb=" O   LEU G 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS G 191 " --> pdb=" O   GLY G 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL G 154 " --> pdb=" O   CYS G 191 " (cutoff:3.500A)
    Processing sheet with id=14, first strand: chain 'G' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY G 206 " --> pdb=" O   GLY G 202 " (cutoff:3.500A)
    Processing sheet with id=15, first strand: chain 'H' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA H 153 " --> pdb=" O   ALA H  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE H 148 " --> pdb=" O   ILE H 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY H 187 " --> pdb=" O   ILE H 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS H 150 " --> pdb=" O   GLY H 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU H 189 " --> pdb=" O   CYS H 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY H 152 " --> pdb=" O   LEU H 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS H 191 " --> pdb=" O   GLY H 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL H 154 " --> pdb=" O   CYS H 191 " (cutoff:3.500A)
    Processing sheet with id=16, first strand: chain 'H' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY H 206 " --> pdb=" O   GLY H 202 " (cutoff:3.500A)
    Processing sheet with id=17, first strand: chain 'I' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA I 153 " --> pdb=" O   ALA I  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE I 148 " --> pdb=" O   ILE I 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY I 187 " --> pdb=" O   ILE I 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS I 150 " --> pdb=" O   GLY I 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU I 189 " --> pdb=" O   CYS I 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY I 152 " --> pdb=" O   LEU I 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS I 191 " --> pdb=" O   GLY I 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL I 154 " --> pdb=" O   CYS I 191 " (cutoff:3.500A)
    Processing sheet with id=18, first strand: chain 'I' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY I 206 " --> pdb=" O   GLY I 202 " (cutoff:3.500A)
    Processing sheet with id=19, first strand: chain 'J' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA J 153 " --> pdb=" O   ALA J  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE J 148 " --> pdb=" O   ILE J 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY J 187 " --> pdb=" O   ILE J 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS J 150 " --> pdb=" O   GLY J 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU J 189 " --> pdb=" O   CYS J 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY J 152 " --> pdb=" O   LEU J 189 " (cutoff:3.500A)
      removed outlier: 7.896A  pdb=" N   CYS J 191 " --> pdb=" O   GLY J 152 " (cutoff:3.500A)
      removed outlier: 6.032A  pdb=" N   VAL J 154 " --> pdb=" O   CYS J 191 " (cutoff:3.500A)
    Processing sheet with id=20, first strand: chain 'J' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY J 206 " --> pdb=" O   GLY J 202 " (cutoff:3.500A)
    Processing sheet with id=21, first strand: chain 'K' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA K 153 " --> pdb=" O   ALA K  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE K 148 " --> pdb=" O   ILE K 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY K 187 " --> pdb=" O   ILE K 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS K 150 " --> pdb=" O   GLY K 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU K 189 " --> pdb=" O   CYS K 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY K 152 " --> pdb=" O   LEU K 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS K 191 " --> pdb=" O   GLY K 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL K 154 " --> pdb=" O   CYS K 191 " (cutoff:3.500A)
    Processing sheet with id=22, first strand: chain 'K' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY K 206 " --> pdb=" O   GLY K 202 " (cutoff:3.500A)
    Processing sheet with id=23, first strand: chain 'L' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA L 153 " --> pdb=" O   ALA L  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE L 148 " --> pdb=" O   ILE L 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY L 187 " --> pdb=" O   ILE L 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS L 150 " --> pdb=" O   GLY L 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU L 189 " --> pdb=" O   CYS L 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY L 152 " --> pdb=" O   LEU L 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS L 191 " --> pdb=" O   GLY L 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL L 154 " --> pdb=" O   CYS L 191 " (cutoff:3.500A)
    Processing sheet with id=24, first strand: chain 'L' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY L 206 " --> pdb=" O   GLY L 202 " (cutoff:3.500A)
    Processing sheet with id=25, first strand: chain 'M' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA M 153 " --> pdb=" O   ALA M  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE M 148 " --> pdb=" O   ILE M 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY M 187 " --> pdb=" O   ILE M 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS M 150 " --> pdb=" O   GLY M 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU M 189 " --> pdb=" O   CYS M 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY M 152 " --> pdb=" O   LEU M 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS M 191 " --> pdb=" O   GLY M 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL M 154 " --> pdb=" O   CYS M 191 " (cutoff:3.500A)
    Processing sheet with id=26, first strand: chain 'M' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY M 206 " --> pdb=" O   GLY M 202 " (cutoff:3.500A)
    Processing sheet with id=27, first strand: chain 'N' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA N 153 " --> pdb=" O   ALA N  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE N 148 " --> pdb=" O   ILE N 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY N 187 " --> pdb=" O   ILE N 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS N 150 " --> pdb=" O   GLY N 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU N 189 " --> pdb=" O   CYS N 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY N 152 " --> pdb=" O   LEU N 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS N 191 " --> pdb=" O   GLY N 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL N 154 " --> pdb=" O   CYS N 191 " (cutoff:3.500A)
    Processing sheet with id=28, first strand: chain 'N' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY N 206 " --> pdb=" O   GLY N 202 " (cutoff:3.500A)
    Processing sheet with id=29, first strand: chain 'O' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA O 153 " --> pdb=" O   ALA O  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE O 148 " --> pdb=" O   ILE O 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY O 187 " --> pdb=" O   ILE O 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS O 150 " --> pdb=" O   GLY O 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU O 189 " --> pdb=" O   CYS O 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY O 152 " --> pdb=" O   LEU O 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS O 191 " --> pdb=" O   GLY O 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL O 154 " --> pdb=" O   CYS O 191 " (cutoff:3.500A)
    Processing sheet with id=30, first strand: chain 'O' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY O 206 " --> pdb=" O   GLY O 202 " (cutoff:3.500A)
    Processing sheet with id=31, first strand: chain 'P' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA P 153 " --> pdb=" O   ALA P  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE P 148 " --> pdb=" O   ILE P 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY P 187 " --> pdb=" O   ILE P 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS P 150 " --> pdb=" O   GLY P 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU P 189 " --> pdb=" O   CYS P 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY P 152 " --> pdb=" O   LEU P 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS P 191 " --> pdb=" O   GLY P 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL P 154 " --> pdb=" O   CYS P 191 " (cutoff:3.500A)
    Processing sheet with id=32, first strand: chain 'P' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY P 206 " --> pdb=" O   GLY P 202 " (cutoff:3.500A)
    Processing sheet with id=33, first strand: chain 'Q' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA Q 153 " --> pdb=" O   ALA Q  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE Q 148 " --> pdb=" O   ILE Q 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY Q 187 " --> pdb=" O   ILE Q 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS Q 150 " --> pdb=" O   GLY Q 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU Q 189 " --> pdb=" O   CYS Q 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY Q 152 " --> pdb=" O   LEU Q 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS Q 191 " --> pdb=" O   GLY Q 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL Q 154 " --> pdb=" O   CYS Q 191 " (cutoff:3.500A)
    Processing sheet with id=34, first strand: chain 'Q' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY Q 206 " --> pdb=" O   GLY Q 202 " (cutoff:3.500A)
    Processing sheet with id=35, first strand: chain 'R' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA R 153 " --> pdb=" O   ALA R  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE R 148 " --> pdb=" O   ILE R 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY R 187 " --> pdb=" O   ILE R 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS R 150 " --> pdb=" O   GLY R 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU R 189 " --> pdb=" O   CYS R 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY R 152 " --> pdb=" O   LEU R 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS R 191 " --> pdb=" O   GLY R 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL R 154 " --> pdb=" O   CYS R 191 " (cutoff:3.500A)
    Processing sheet with id=36, first strand: chain 'R' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY R 206 " --> pdb=" O   GLY R 202 " (cutoff:3.500A)
    Processing sheet with id=37, first strand: chain 'S' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA S 153 " --> pdb=" O   ALA S  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE S 148 " --> pdb=" O   ILE S 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY S 187 " --> pdb=" O   ILE S 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS S 150 " --> pdb=" O   GLY S 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU S 189 " --> pdb=" O   CYS S 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY S 152 " --> pdb=" O   LEU S 189 " (cutoff:3.500A)
      removed outlier: 7.896A  pdb=" N   CYS S 191 " --> pdb=" O   GLY S 152 " (cutoff:3.500A)
      removed outlier: 6.032A  pdb=" N   VAL S 154 " --> pdb=" O   CYS S 191 " (cutoff:3.500A)
    Processing sheet with id=38, first strand: chain 'S' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY S 206 " --> pdb=" O   GLY S 202 " (cutoff:3.500A)
    Processing sheet with id=39, first strand: chain 'T' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA T 153 " --> pdb=" O   ALA T  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE T 148 " --> pdb=" O   ILE T 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY T 187 " --> pdb=" O   ILE T 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS T 150 " --> pdb=" O   GLY T 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU T 189 " --> pdb=" O   CYS T 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY T 152 " --> pdb=" O   LEU T 189 " (cutoff:3.500A)
      removed outlier: 7.896A  pdb=" N   CYS T 191 " --> pdb=" O   GLY T 152 " (cutoff:3.500A)
      removed outlier: 6.032A  pdb=" N   VAL T 154 " --> pdb=" O   CYS T 191 " (cutoff:3.500A)
    Processing sheet with id=40, first strand: chain 'T' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY T 206 " --> pdb=" O   GLY T 202 " (cutoff:3.500A)
    Processing sheet with id=41, first strand: chain 'U' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA U 153 " --> pdb=" O   ALA U  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE U 148 " --> pdb=" O   ILE U 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY U 187 " --> pdb=" O   ILE U 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS U 150 " --> pdb=" O   GLY U 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU U 189 " --> pdb=" O   CYS U 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY U 152 " --> pdb=" O   LEU U 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS U 191 " --> pdb=" O   GLY U 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL U 154 " --> pdb=" O   CYS U 191 " (cutoff:3.500A)
    Processing sheet with id=42, first strand: chain 'U' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY U 206 " --> pdb=" O   GLY U 202 " (cutoff:3.500A)
    Processing sheet with id=43, first strand: chain 'V' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA V 153 " --> pdb=" O   ALA V  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE V 148 " --> pdb=" O   ILE V 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY V 187 " --> pdb=" O   ILE V 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS V 150 " --> pdb=" O   GLY V 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU V 189 " --> pdb=" O   CYS V 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY V 152 " --> pdb=" O   LEU V 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS V 191 " --> pdb=" O   GLY V 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL V 154 " --> pdb=" O   CYS V 191 " (cutoff:3.500A)
    Processing sheet with id=44, first strand: chain 'V' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY V 206 " --> pdb=" O   GLY V 202 " (cutoff:3.500A)
    Processing sheet with id=45, first strand: chain 'W' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA W 153 " --> pdb=" O   ALA W  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE W 148 " --> pdb=" O   ILE W 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY W 187 " --> pdb=" O   ILE W 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS W 150 " --> pdb=" O   GLY W 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU W 189 " --> pdb=" O   CYS W 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY W 152 " --> pdb=" O   LEU W 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS W 191 " --> pdb=" O   GLY W 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL W 154 " --> pdb=" O   CYS W 191 " (cutoff:3.500A)
    Processing sheet with id=46, first strand: chain 'W' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY W 206 " --> pdb=" O   GLY W 202 " (cutoff:3.500A)
    Processing sheet with id=47, first strand: chain 'X' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA X 153 " --> pdb=" O   ALA X  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE X 148 " --> pdb=" O   ILE X 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY X 187 " --> pdb=" O   ILE X 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS X 150 " --> pdb=" O   GLY X 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU X 189 " --> pdb=" O   CYS X 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY X 152 " --> pdb=" O   LEU X 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS X 191 " --> pdb=" O   GLY X 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL X 154 " --> pdb=" O   CYS X 191 " (cutoff:3.500A)
    Processing sheet with id=48, first strand: chain 'X' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY X 206 " --> pdb=" O   GLY X 202 " (cutoff:3.500A)
    Processing sheet with id=49, first strand: chain 'Y' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA Y 153 " --> pdb=" O   ALA Y  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE Y 148 " --> pdb=" O   ILE Y 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY Y 187 " --> pdb=" O   ILE Y 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS Y 150 " --> pdb=" O   GLY Y 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU Y 189 " --> pdb=" O   CYS Y 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY Y 152 " --> pdb=" O   LEU Y 189 " (cutoff:3.500A)
      removed outlier: 7.896A  pdb=" N   CYS Y 191 " --> pdb=" O   GLY Y 152 " (cutoff:3.500A)
      removed outlier: 6.032A  pdb=" N   VAL Y 154 " --> pdb=" O   CYS Y 191 " (cutoff:3.500A)
    Processing sheet with id=50, first strand: chain 'Y' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY Y 206 " --> pdb=" O   GLY Y 202 " (cutoff:3.500A)
    Processing sheet with id=51, first strand: chain 'Z' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA Z 153 " --> pdb=" O   ALA Z  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE Z 148 " --> pdb=" O   ILE Z 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY Z 187 " --> pdb=" O   ILE Z 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS Z 150 " --> pdb=" O   GLY Z 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU Z 189 " --> pdb=" O   CYS Z 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY Z 152 " --> pdb=" O   LEU Z 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS Z 191 " --> pdb=" O   GLY Z 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL Z 154 " --> pdb=" O   CYS Z 191 " (cutoff:3.500A)
    Processing sheet with id=52, first strand: chain 'Z' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY Z 206 " --> pdb=" O   GLY Z 202 " (cutoff:3.500A)
    Processing sheet with id=53, first strand: chain '0' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA 0 153 " --> pdb=" O   ALA 0  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE 0 148 " --> pdb=" O   ILE 0 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY 0 187 " --> pdb=" O   ILE 0 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS 0 150 " --> pdb=" O   GLY 0 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU 0 189 " --> pdb=" O   CYS 0 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY 0 152 " --> pdb=" O   LEU 0 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS 0 191 " --> pdb=" O   GLY 0 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL 0 154 " --> pdb=" O   CYS 0 191 " (cutoff:3.500A)
    Processing sheet with id=54, first strand: chain '0' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY 0 206 " --> pdb=" O   GLY 0 202 " (cutoff:3.500A)
    Processing sheet with id=55, first strand: chain '1' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA 1 153 " --> pdb=" O   ALA 1  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE 1 148 " --> pdb=" O   ILE 1 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY 1 187 " --> pdb=" O   ILE 1 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS 1 150 " --> pdb=" O   GLY 1 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU 1 189 " --> pdb=" O   CYS 1 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY 1 152 " --> pdb=" O   LEU 1 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS 1 191 " --> pdb=" O   GLY 1 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL 1 154 " --> pdb=" O   CYS 1 191 " (cutoff:3.500A)
    Processing sheet with id=56, first strand: chain '1' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY 1 206 " --> pdb=" O   GLY 1 202 " (cutoff:3.500A)
    Processing sheet with id=57, first strand: chain '2' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA 2 153 " --> pdb=" O   ALA 2  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE 2 148 " --> pdb=" O   ILE 2 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY 2 187 " --> pdb=" O   ILE 2 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS 2 150 " --> pdb=" O   GLY 2 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU 2 189 " --> pdb=" O   CYS 2 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY 2 152 " --> pdb=" O   LEU 2 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS 2 191 " --> pdb=" O   GLY 2 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL 2 154 " --> pdb=" O   CYS 2 191 " (cutoff:3.500A)
    Processing sheet with id=58, first strand: chain '2' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY 2 206 " --> pdb=" O   GLY 2 202 " (cutoff:3.500A)
    Processing sheet with id=59, first strand: chain '3' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA 3 153 " --> pdb=" O   ALA 3  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE 3 148 " --> pdb=" O   ILE 3 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY 3 187 " --> pdb=" O   ILE 3 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS 3 150 " --> pdb=" O   GLY 3 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU 3 189 " --> pdb=" O   CYS 3 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY 3 152 " --> pdb=" O   LEU 3 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS 3 191 " --> pdb=" O   GLY 3 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL 3 154 " --> pdb=" O   CYS 3 191 " (cutoff:3.500A)
    Processing sheet with id=60, first strand: chain '3' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY 3 206 " --> pdb=" O   GLY 3 202 " (cutoff:3.500A)
    Processing sheet with id=61, first strand: chain '4' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA 4 153 " --> pdb=" O   ALA 4  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE 4 148 " --> pdb=" O   ILE 4 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY 4 187 " --> pdb=" O   ILE 4 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS 4 150 " --> pdb=" O   GLY 4 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU 4 189 " --> pdb=" O   CYS 4 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY 4 152 " --> pdb=" O   LEU 4 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS 4 191 " --> pdb=" O   GLY 4 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL 4 154 " --> pdb=" O   CYS 4 191 " (cutoff:3.500A)
    Processing sheet with id=62, first strand: chain '4' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY 4 206 " --> pdb=" O   GLY 4 202 " (cutoff:3.500A)
    Processing sheet with id=63, first strand: chain '5' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA 5 153 " --> pdb=" O   ALA 5  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE 5 148 " --> pdb=" O   ILE 5 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY 5 187 " --> pdb=" O   ILE 5 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS 5 150 " --> pdb=" O   GLY 5 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU 5 189 " --> pdb=" O   CYS 5 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY 5 152 " --> pdb=" O   LEU 5 189 " (cutoff:3.500A)
      removed outlier: 7.896A  pdb=" N   CYS 5 191 " --> pdb=" O   GLY 5 152 " (cutoff:3.500A)
      removed outlier: 6.032A  pdb=" N   VAL 5 154 " --> pdb=" O   CYS 5 191 " (cutoff:3.500A)
    Processing sheet with id=64, first strand: chain '5' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY 5 206 " --> pdb=" O   GLY 5 202 " (cutoff:3.500A)
    Processing sheet with id=65, first strand: chain '6' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA 6 153 " --> pdb=" O   ALA 6  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE 6 148 " --> pdb=" O   ILE 6 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY 6 187 " --> pdb=" O   ILE 6 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS 6 150 " --> pdb=" O   GLY 6 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU 6 189 " --> pdb=" O   CYS 6 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY 6 152 " --> pdb=" O   LEU 6 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS 6 191 " --> pdb=" O   GLY 6 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL 6 154 " --> pdb=" O   CYS 6 191 " (cutoff:3.500A)
    Processing sheet with id=66, first strand: chain '6' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY 6 206 " --> pdb=" O   GLY 6 202 " (cutoff:3.500A)
    Processing sheet with id=67, first strand: chain '7' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA 7 153 " --> pdb=" O   ALA 7  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE 7 148 " --> pdb=" O   ILE 7 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY 7 187 " --> pdb=" O   ILE 7 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS 7 150 " --> pdb=" O   GLY 7 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU 7 189 " --> pdb=" O   CYS 7 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY 7 152 " --> pdb=" O   LEU 7 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS 7 191 " --> pdb=" O   GLY 7 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL 7 154 " --> pdb=" O   CYS 7 191 " (cutoff:3.500A)
    Processing sheet with id=68, first strand: chain '7' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY 7 206 " --> pdb=" O   GLY 7 202 " (cutoff:3.500A)
    Processing sheet with id=69, first strand: chain '8' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA 8 153 " --> pdb=" O   ALA 8  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE 8 148 " --> pdb=" O   ILE 8 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY 8 187 " --> pdb=" O   ILE 8 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS 8 150 " --> pdb=" O   GLY 8 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU 8 189 " --> pdb=" O   CYS 8 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY 8 152 " --> pdb=" O   LEU 8 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS 8 191 " --> pdb=" O   GLY 8 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL 8 154 " --> pdb=" O   CYS 8 191 " (cutoff:3.500A)
    Processing sheet with id=70, first strand: chain '8' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY 8 206 " --> pdb=" O   GLY 8 202 " (cutoff:3.500A)
    Processing sheet with id=71, first strand: chain '9' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA 9 153 " --> pdb=" O   ALA 9  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE 9 148 " --> pdb=" O   ILE 9 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY 9 187 " --> pdb=" O   ILE 9 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS 9 150 " --> pdb=" O   GLY 9 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU 9 189 " --> pdb=" O   CYS 9 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY 9 152 " --> pdb=" O   LEU 9 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS 9 191 " --> pdb=" O   GLY 9 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL 9 154 " --> pdb=" O   CYS 9 191 " (cutoff:3.500A)
    Processing sheet with id=72, first strand: chain '9' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY 9 206 " --> pdb=" O   GLY 9 202 " (cutoff:3.500A)
    Processing sheet with id=73, first strand: chain 'a' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA a 153 " --> pdb=" O   ALA a  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE a 148 " --> pdb=" O   ILE a 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY a 187 " --> pdb=" O   ILE a 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS a 150 " --> pdb=" O   GLY a 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU a 189 " --> pdb=" O   CYS a 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY a 152 " --> pdb=" O   LEU a 189 " (cutoff:3.500A)
      removed outlier: 7.896A  pdb=" N   CYS a 191 " --> pdb=" O   GLY a 152 " (cutoff:3.500A)
      removed outlier: 6.032A  pdb=" N   VAL a 154 " --> pdb=" O   CYS a 191 " (cutoff:3.500A)
    Processing sheet with id=74, first strand: chain 'a' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY a 206 " --> pdb=" O   GLY a 202 " (cutoff:3.500A)
    Processing sheet with id=75, first strand: chain 'b' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA b 153 " --> pdb=" O   ALA b  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE b 148 " --> pdb=" O   ILE b 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY b 187 " --> pdb=" O   ILE b 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS b 150 " --> pdb=" O   GLY b 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU b 189 " --> pdb=" O   CYS b 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY b 152 " --> pdb=" O   LEU b 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS b 191 " --> pdb=" O   GLY b 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL b 154 " --> pdb=" O   CYS b 191 " (cutoff:3.500A)
    Processing sheet with id=76, first strand: chain 'b' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY b 206 " --> pdb=" O   GLY b 202 " (cutoff:3.500A)
    Processing sheet with id=77, first strand: chain 'c' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA c 153 " --> pdb=" O   ALA c  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE c 148 " --> pdb=" O   ILE c 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY c 187 " --> pdb=" O   ILE c 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS c 150 " --> pdb=" O   GLY c 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU c 189 " --> pdb=" O   CYS c 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY c 152 " --> pdb=" O   LEU c 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS c 191 " --> pdb=" O   GLY c 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL c 154 " --> pdb=" O   CYS c 191 " (cutoff:3.500A)
    Processing sheet with id=78, first strand: chain 'c' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY c 206 " --> pdb=" O   GLY c 202 " (cutoff:3.500A)
    Processing sheet with id=79, first strand: chain 'd' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA d 153 " --> pdb=" O   ALA d  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE d 148 " --> pdb=" O   ILE d 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY d 187 " --> pdb=" O   ILE d 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS d 150 " --> pdb=" O   GLY d 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU d 189 " --> pdb=" O   CYS d 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY d 152 " --> pdb=" O   LEU d 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS d 191 " --> pdb=" O   GLY d 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL d 154 " --> pdb=" O   CYS d 191 " (cutoff:3.500A)
    Processing sheet with id=80, first strand: chain 'd' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY d 206 " --> pdb=" O   GLY d 202 " (cutoff:3.500A)
    Processing sheet with id=81, first strand: chain 'e' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA e 153 " --> pdb=" O   ALA e  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE e 148 " --> pdb=" O   ILE e 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY e 187 " --> pdb=" O   ILE e 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS e 150 " --> pdb=" O   GLY e 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU e 189 " --> pdb=" O   CYS e 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY e 152 " --> pdb=" O   LEU e 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS e 191 " --> pdb=" O   GLY e 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL e 154 " --> pdb=" O   CYS e 191 " (cutoff:3.500A)
    Processing sheet with id=82, first strand: chain 'e' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY e 206 " --> pdb=" O   GLY e 202 " (cutoff:3.500A)
    Processing sheet with id=83, first strand: chain 'f' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA f 153 " --> pdb=" O   ALA f  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE f 148 " --> pdb=" O   ILE f 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY f 187 " --> pdb=" O   ILE f 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS f 150 " --> pdb=" O   GLY f 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU f 189 " --> pdb=" O   CYS f 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY f 152 " --> pdb=" O   LEU f 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS f 191 " --> pdb=" O   GLY f 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL f 154 " --> pdb=" O   CYS f 191 " (cutoff:3.500A)
    Processing sheet with id=84, first strand: chain 'f' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY f 206 " --> pdb=" O   GLY f 202 " (cutoff:3.500A)
    Processing sheet with id=85, first strand: chain 'g' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA g 153 " --> pdb=" O   ALA g  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE g 148 " --> pdb=" O   ILE g 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY g 187 " --> pdb=" O   ILE g 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS g 150 " --> pdb=" O   GLY g 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU g 189 " --> pdb=" O   CYS g 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY g 152 " --> pdb=" O   LEU g 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS g 191 " --> pdb=" O   GLY g 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL g 154 " --> pdb=" O   CYS g 191 " (cutoff:3.500A)
    Processing sheet with id=86, first strand: chain 'g' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY g 206 " --> pdb=" O   GLY g 202 " (cutoff:3.500A)
    Processing sheet with id=87, first strand: chain 'h' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA h 153 " --> pdb=" O   ALA h  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE h 148 " --> pdb=" O   ILE h 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY h 187 " --> pdb=" O   ILE h 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS h 150 " --> pdb=" O   GLY h 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU h 189 " --> pdb=" O   CYS h 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY h 152 " --> pdb=" O   LEU h 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS h 191 " --> pdb=" O   GLY h 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL h 154 " --> pdb=" O   CYS h 191 " (cutoff:3.500A)
    Processing sheet with id=88, first strand: chain 'h' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY h 206 " --> pdb=" O   GLY h 202 " (cutoff:3.500A)
    Processing sheet with id=89, first strand: chain 'i' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA i 153 " --> pdb=" O   ALA i  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE i 148 " --> pdb=" O   ILE i 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY i 187 " --> pdb=" O   ILE i 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS i 150 " --> pdb=" O   GLY i 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU i 189 " --> pdb=" O   CYS i 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY i 152 " --> pdb=" O   LEU i 189 " (cutoff:3.500A)
      removed outlier: 7.896A  pdb=" N   CYS i 191 " --> pdb=" O   GLY i 152 " (cutoff:3.500A)
      removed outlier: 6.032A  pdb=" N   VAL i 154 " --> pdb=" O   CYS i 191 " (cutoff:3.500A)
    Processing sheet with id=90, first strand: chain 'i' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY i 206 " --> pdb=" O   GLY i 202 " (cutoff:3.500A)
    Processing sheet with id=91, first strand: chain 'j' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA j 153 " --> pdb=" O   ALA j  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE j 148 " --> pdb=" O   ILE j 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY j 187 " --> pdb=" O   ILE j 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS j 150 " --> pdb=" O   GLY j 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU j 189 " --> pdb=" O   CYS j 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY j 152 " --> pdb=" O   LEU j 189 " (cutoff:3.500A)
      removed outlier: 7.896A  pdb=" N   CYS j 191 " --> pdb=" O   GLY j 152 " (cutoff:3.500A)
      removed outlier: 6.032A  pdb=" N   VAL j 154 " --> pdb=" O   CYS j 191 " (cutoff:3.500A)
    Processing sheet with id=92, first strand: chain 'j' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY j 206 " --> pdb=" O   GLY j 202 " (cutoff:3.500A)
    Processing sheet with id=93, first strand: chain 'k' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA k 153 " --> pdb=" O   ALA k  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE k 148 " --> pdb=" O   ILE k 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY k 187 " --> pdb=" O   ILE k 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS k 150 " --> pdb=" O   GLY k 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU k 189 " --> pdb=" O   CYS k 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY k 152 " --> pdb=" O   LEU k 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS k 191 " --> pdb=" O   GLY k 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL k 154 " --> pdb=" O   CYS k 191 " (cutoff:3.500A)
    Processing sheet with id=94, first strand: chain 'k' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY k 206 " --> pdb=" O   GLY k 202 " (cutoff:3.500A)
    Processing sheet with id=95, first strand: chain 'l' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA l 153 " --> pdb=" O   ALA l  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE l 148 " --> pdb=" O   ILE l 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY l 187 " --> pdb=" O   ILE l 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS l 150 " --> pdb=" O   GLY l 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU l 189 " --> pdb=" O   CYS l 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY l 152 " --> pdb=" O   LEU l 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS l 191 " --> pdb=" O   GLY l 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL l 154 " --> pdb=" O   CYS l 191 " (cutoff:3.500A)
    Processing sheet with id=96, first strand: chain 'l' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY l 206 " --> pdb=" O   GLY l 202 " (cutoff:3.500A)
    Processing sheet with id=97, first strand: chain 'm' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA m 153 " --> pdb=" O   ALA m  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE m 148 " --> pdb=" O   ILE m 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY m 187 " --> pdb=" O   ILE m 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS m 150 " --> pdb=" O   GLY m 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU m 189 " --> pdb=" O   CYS m 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY m 152 " --> pdb=" O   LEU m 189 " (cutoff:3.500A)
      removed outlier: 7.896A  pdb=" N   CYS m 191 " --> pdb=" O   GLY m 152 " (cutoff:3.500A)
      removed outlier: 6.032A  pdb=" N   VAL m 154 " --> pdb=" O   CYS m 191 " (cutoff:3.500A)
    Processing sheet with id=98, first strand: chain 'm' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY m 206 " --> pdb=" O   GLY m 202 " (cutoff:3.500A)
    Processing sheet with id=99, first strand: chain 'n' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA n 153 " --> pdb=" O   ALA n  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE n 148 " --> pdb=" O   ILE n 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY n 187 " --> pdb=" O   ILE n 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS n 150 " --> pdb=" O   GLY n 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU n 189 " --> pdb=" O   CYS n 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY n 152 " --> pdb=" O   LEU n 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS n 191 " --> pdb=" O   GLY n 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL n 154 " --> pdb=" O   CYS n 191 " (cutoff:3.500A)
    Processing sheet with id=100, first strand: chain 'n' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY n 206 " --> pdb=" O   GLY n 202 " (cutoff:3.500A)
    Processing sheet with id=101, first strand: chain 'o' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA o 153 " --> pdb=" O   ALA o  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE o 148 " --> pdb=" O   ILE o 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY o 187 " --> pdb=" O   ILE o 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS o 150 " --> pdb=" O   GLY o 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU o 189 " --> pdb=" O   CYS o 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY o 152 " --> pdb=" O   LEU o 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS o 191 " --> pdb=" O   GLY o 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL o 154 " --> pdb=" O   CYS o 191 " (cutoff:3.500A)
    Processing sheet with id=102, first strand: chain 'o' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY o 206 " --> pdb=" O   GLY o 202 " (cutoff:3.500A)
    Processing sheet with id=103, first strand: chain 'p' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA p 153 " --> pdb=" O   ALA p  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE p 148 " --> pdb=" O   ILE p 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY p 187 " --> pdb=" O   ILE p 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS p 150 " --> pdb=" O   GLY p 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU p 189 " --> pdb=" O   CYS p 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY p 152 " --> pdb=" O   LEU p 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS p 191 " --> pdb=" O   GLY p 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL p 154 " --> pdb=" O   CYS p 191 " (cutoff:3.500A)
    Processing sheet with id=104, first strand: chain 'p' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY p 206 " --> pdb=" O   GLY p 202 " (cutoff:3.500A)
    Processing sheet with id=105, first strand: chain 'q' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA q 153 " --> pdb=" O   ALA q  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE q 148 " --> pdb=" O   ILE q 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY q 187 " --> pdb=" O   ILE q 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS q 150 " --> pdb=" O   GLY q 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU q 189 " --> pdb=" O   CYS q 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY q 152 " --> pdb=" O   LEU q 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS q 191 " --> pdb=" O   GLY q 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL q 154 " --> pdb=" O   CYS q 191 " (cutoff:3.500A)
    Processing sheet with id=106, first strand: chain 'q' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY q 206 " --> pdb=" O   GLY q 202 " (cutoff:3.500A)
    Processing sheet with id=107, first strand: chain 'r' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA r 153 " --> pdb=" O   ALA r  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE r 148 " --> pdb=" O   ILE r 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY r 187 " --> pdb=" O   ILE r 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS r 150 " --> pdb=" O   GLY r 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU r 189 " --> pdb=" O   CYS r 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY r 152 " --> pdb=" O   LEU r 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS r 191 " --> pdb=" O   GLY r 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL r 154 " --> pdb=" O   CYS r 191 " (cutoff:3.500A)
    Processing sheet with id=108, first strand: chain 'r' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY r 206 " --> pdb=" O   GLY r 202 " (cutoff:3.500A)
    Processing sheet with id=109, first strand: chain 's' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA s 153 " --> pdb=" O   ALA s  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE s 148 " --> pdb=" O   ILE s 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY s 187 " --> pdb=" O   ILE s 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS s 150 " --> pdb=" O   GLY s 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU s 189 " --> pdb=" O   CYS s 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY s 152 " --> pdb=" O   LEU s 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS s 191 " --> pdb=" O   GLY s 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL s 154 " --> pdb=" O   CYS s 191 " (cutoff:3.500A)
    Processing sheet with id=110, first strand: chain 's' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY s 206 " --> pdb=" O   GLY s 202 " (cutoff:3.500A)
    Processing sheet with id=111, first strand: chain 't' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA t 153 " --> pdb=" O   ALA t  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE t 148 " --> pdb=" O   ILE t 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY t 187 " --> pdb=" O   ILE t 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS t 150 " --> pdb=" O   GLY t 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU t 189 " --> pdb=" O   CYS t 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY t 152 " --> pdb=" O   LEU t 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS t 191 " --> pdb=" O   GLY t 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL t 154 " --> pdb=" O   CYS t 191 " (cutoff:3.500A)
    Processing sheet with id=112, first strand: chain 't' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY t 206 " --> pdb=" O   GLY t 202 " (cutoff:3.500A)
    Processing sheet with id=113, first strand: chain 'u' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA u 153 " --> pdb=" O   ALA u  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE u 148 " --> pdb=" O   ILE u 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY u 187 " --> pdb=" O   ILE u 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS u 150 " --> pdb=" O   GLY u 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU u 189 " --> pdb=" O   CYS u 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY u 152 " --> pdb=" O   LEU u 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS u 191 " --> pdb=" O   GLY u 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL u 154 " --> pdb=" O   CYS u 191 " (cutoff:3.500A)
    Processing sheet with id=114, first strand: chain 'u' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY u 206 " --> pdb=" O   GLY u 202 " (cutoff:3.500A)
    Processing sheet with id=115, first strand: chain 'v' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA v 153 " --> pdb=" O   ALA v  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE v 148 " --> pdb=" O   ILE v 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY v 187 " --> pdb=" O   ILE v 148 " (cutoff:3.500A)
      removed outlier: 6.486A  pdb=" N   CYS v 150 " --> pdb=" O   GLY v 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU v 189 " --> pdb=" O   CYS v 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY v 152 " --> pdb=" O   LEU v 189 " (cutoff:3.500A)
      removed outlier: 7.896A  pdb=" N   CYS v 191 " --> pdb=" O   GLY v 152 " (cutoff:3.500A)
      removed outlier: 6.032A  pdb=" N   VAL v 154 " --> pdb=" O   CYS v 191 " (cutoff:3.500A)
    Processing sheet with id=116, first strand: chain 'v' and resid 201 through 203
      removed outlier: 5.835A  pdb=" N   GLY v 206 " --> pdb=" O   GLY v 202 " (cutoff:3.500A)
    Processing sheet with id=117, first strand: chain 'w' and resid 121 through 126
      removed outlier: 6.017A  pdb=" N   ALA w 153 " --> pdb=" O   ALA w  93 " (cutoff:3.500A)
      removed outlier: 6.785A  pdb=" N   ILE w 148 " --> pdb=" O   ILE w 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY w 187 " --> pdb=" O   ILE w 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS w 150 " --> pdb=" O   GLY w 187 " (cutoff:3.500A)
      removed outlier: 6.356A  pdb=" N   LEU w 189 " --> pdb=" O   CYS w 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY w 152 " --> pdb=" O   LEU w 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS w 191 " --> pdb=" O   GLY w 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL w 154 " --> pdb=" O   CYS w 191 " (cutoff:3.500A)
    Processing sheet with id=118, first strand: chain 'w' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY w 206 " --> pdb=" O   GLY w 202 " (cutoff:3.500A)
    Processing sheet with id=119, first strand: chain 'x' and resid 121 through 126
      removed outlier: 6.016A  pdb=" N   ALA x 153 " --> pdb=" O   ALA x  93 " (cutoff:3.500A)
      removed outlier: 6.786A  pdb=" N   ILE x 148 " --> pdb=" O   ILE x 185 " (cutoff:3.500A)
      removed outlier: 7.045A  pdb=" N   GLY x 187 " --> pdb=" O   ILE x 148 " (cutoff:3.500A)
      removed outlier: 6.487A  pdb=" N   CYS x 150 " --> pdb=" O   GLY x 187 " (cutoff:3.500A)
      removed outlier: 6.357A  pdb=" N   LEU x 189 " --> pdb=" O   CYS x 150 " (cutoff:3.500A)
      removed outlier: 6.393A  pdb=" N   GLY x 152 " --> pdb=" O   LEU x 189 " (cutoff:3.500A)
      removed outlier: 7.895A  pdb=" N   CYS x 191 " --> pdb=" O   GLY x 152 " (cutoff:3.500A)
      removed outlier: 6.031A  pdb=" N   VAL x 154 " --> pdb=" O   CYS x 191 " (cutoff:3.500A)
    Processing sheet with id=120, first strand: chain 'x' and resid 201 through 203
      removed outlier: 5.834A  pdb=" N   GLY x 206 " --> pdb=" O   GLY x 202 " (cutoff:3.500A)

    3780 hydrogen bonds defined for protein.
    11340 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: 28.46

  Time building geometry restraints manager: 15.26 seconds

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

  Histogram of bond lengths:
        1.23 -     1.35: 23940
        1.35 -     1.46: 14940
        1.46 -     1.58: 31200
        1.58 -     1.70: 0
        1.70 -     1.81: 480
  Bond restraints: 70560
  Sorted by residual:
  bond pdb=" N   VAL W  73 "
       pdb=" CA  VAL W  73 "
    ideal  model  delta    sigma   weight residual
    1.459  1.494 -0.035 1.19e-02 7.06e+03 8.69e+00
  bond pdb=" N   VAL u  73 "
       pdb=" CA  VAL u  73 "
    ideal  model  delta    sigma   weight residual
    1.459  1.494 -0.035 1.19e-02 7.06e+03 8.69e+00
  bond pdb=" N   VAL B  73 "
       pdb=" CA  VAL B  73 "
    ideal  model  delta    sigma   weight residual
    1.459  1.494 -0.035 1.19e-02 7.06e+03 8.69e+00
  bond pdb=" N   VAL 4  73 "
       pdb=" CA  VAL 4  73 "
    ideal  model  delta    sigma   weight residual
    1.459  1.494 -0.035 1.19e-02 7.06e+03 8.69e+00
  bond pdb=" N   VAL X  73 "
       pdb=" CA  VAL X  73 "
    ideal  model  delta    sigma   weight residual
    1.459  1.494 -0.035 1.19e-02 7.06e+03 8.69e+00
  ... (remaining 70555 not shown)

  Histogram of bond angle deviations from ideal:
        0.00 -     1.04: 91500
        1.04 -     2.08: 2448
        2.08 -     3.13: 1440
        3.13 -     4.17: 12
        4.17 -     5.21: 240
  Bond angle restraints: 95640
  Sorted by residual:
  angle pdb=" CA  ASP B 193 "
        pdb=" CB  ASP B 193 "
        pdb=" CG  ASP B 193 "
      ideal   model   delta    sigma   weight residual
     112.60  116.91   -4.31 1.00e+00 1.00e+00 1.85e+01
  angle pdb=" CA  ASP h 193 "
        pdb=" CB  ASP h 193 "
        pdb=" CG  ASP h 193 "
      ideal   model   delta    sigma   weight residual
     112.60  116.91   -4.31 1.00e+00 1.00e+00 1.85e+01
  angle pdb=" CA  ASP l 193 "
        pdb=" CB  ASP l 193 "
        pdb=" CG  ASP l 193 "
      ideal   model   delta    sigma   weight residual
     112.60  116.91   -4.31 1.00e+00 1.00e+00 1.85e+01
  angle pdb=" CA  ASP b 193 "
        pdb=" CB  ASP b 193 "
        pdb=" CG  ASP b 193 "
      ideal   model   delta    sigma   weight residual
     112.60  116.91   -4.31 1.00e+00 1.00e+00 1.85e+01
  angle pdb=" CA  ASP u 193 "
        pdb=" CB  ASP u 193 "
        pdb=" CG  ASP u 193 "
      ideal   model   delta    sigma   weight residual
     112.60  116.91   -4.31 1.00e+00 1.00e+00 1.85e+01
  ... (remaining 95635 not shown)

  Histogram of dihedral angle deviations from ideal:
        0.00 -    15.35: 38940
       15.35 -    30.70: 1500
       30.70 -    46.05: 780
       46.05 -    61.40: 60
       61.40 -    76.75: 60
  Dihedral angle restraints: 41340
    sinusoidal: 15120
      harmonic: 26220
  Sorted by residual:
  dihedral pdb=" CD  ARG h  74 "
           pdb=" NE  ARG h  74 "
           pdb=" CZ  ARG h  74 "
           pdb=" NH1 ARG h  74 "
      ideal   model   delta sinusoidal    sigma   weight residual
       0.00   33.14  -33.14     1      1.00e+01 1.00e-02 1.56e+01
  dihedral pdb=" CD  ARG I  74 "
           pdb=" NE  ARG I  74 "
           pdb=" CZ  ARG I  74 "
           pdb=" NH1 ARG I  74 "
      ideal   model   delta sinusoidal    sigma   weight residual
       0.00   33.14  -33.14     1      1.00e+01 1.00e-02 1.56e+01
  dihedral pdb=" CD  ARG W  74 "
           pdb=" NE  ARG W  74 "
           pdb=" CZ  ARG W  74 "
           pdb=" NH1 ARG W  74 "
      ideal   model   delta sinusoidal    sigma   weight residual
       0.00   33.14  -33.14     1      1.00e+01 1.00e-02 1.56e+01
  ... (remaining 41337 not shown)

  Histogram of chiral volume deviations from ideal:
       0.000 -    0.038: 7116
       0.038 -    0.076: 2628
       0.076 -    0.114: 1188
       0.114 -    0.152: 228
       0.152 -    0.191: 60
  Chirality restraints: 11220
  Sorted by residual:
  chirality pdb=" CA  VAL X  73 "
            pdb=" N   VAL X  73 "
            pdb=" C   VAL X  73 "
            pdb=" CB  VAL X  73 "
    both_signs  ideal   model   delta    sigma   weight residual
      False      2.44    2.63   -0.19 2.00e-01 2.50e+01 9.08e-01
  chirality pdb=" CA  VAL k  73 "
            pdb=" N   VAL k  73 "
            pdb=" C   VAL k  73 "
            pdb=" CB  VAL k  73 "
    both_signs  ideal   model   delta    sigma   weight residual
      False      2.44    2.63   -0.19 2.00e-01 2.50e+01 9.08e-01
  chirality pdb=" CA  VAL W  73 "
            pdb=" N   VAL W  73 "
            pdb=" C   VAL W  73 "
            pdb=" CB  VAL W  73 "
    both_signs  ideal   model   delta    sigma   weight residual
      False      2.44    2.63   -0.19 2.00e-01 2.50e+01 9.08e-01
  ... (remaining 11217 not shown)

  Planarity restraints: 12480
  Sorted by residual:
                                 delta    sigma   weight rms_deltas residual
  plane pdb=" CD  ARG m  74 "    0.596 9.50e-02 1.11e+02   2.67e-01 4.36e+01
        pdb=" NE  ARG m  74 "   -0.035 2.00e-02 2.50e+03
        pdb=" CZ  ARG m  74 "   -0.007 2.00e-02 2.50e+03
        pdb=" NH1 ARG m  74 "   -0.004 2.00e-02 2.50e+03
        pdb=" NH2 ARG m  74 "    0.020 2.00e-02 2.50e+03
                                 delta    sigma   weight rms_deltas residual
  plane pdb=" CD  ARG a  74 "    0.596 9.50e-02 1.11e+02   2.67e-01 4.36e+01
        pdb=" NE  ARG a  74 "   -0.035 2.00e-02 2.50e+03
        pdb=" CZ  ARG a  74 "   -0.007 2.00e-02 2.50e+03
        pdb=" NH1 ARG a  74 "   -0.004 2.00e-02 2.50e+03
        pdb=" NH2 ARG a  74 "    0.020 2.00e-02 2.50e+03
                                 delta    sigma   weight rms_deltas residual
  plane pdb=" CD  ARG Y  74 "   -0.596 9.50e-02 1.11e+02   2.67e-01 4.36e+01
        pdb=" NE  ARG Y  74 "    0.035 2.00e-02 2.50e+03
        pdb=" CZ  ARG Y  74 "    0.007 2.00e-02 2.50e+03
        pdb=" NH1 ARG Y  74 "    0.004 2.00e-02 2.50e+03
        pdb=" NH2 ARG Y  74 "   -0.020 2.00e-02 2.50e+03
  ... (remaining 12477 not shown)

  Histogram of nonbonded interaction distances:
        2.16 -     2.71: 1602
        2.71 -     3.26: 66816
        3.26 -     3.80: 119370
        3.80 -     4.35: 161610
        4.35 -     4.90: 259968
  Nonbonded interactions: 609366
  Sorted by model distance:
  nonbonded pdb=" OH  TYR W 114 "
            pdb=" OH  TYR 5 114 "
     model   vdw
     2.160 3.040
  nonbonded pdb=" OH  TYR C 114 "
            pdb=" OH  TYR u 114 "
     model   vdw
     2.160 3.040
  nonbonded pdb=" OH  TYR h 114 "
            pdb=" OH  TYR j 114 "
     model   vdw
     2.160 3.040
  nonbonded pdb=" OH  TYR i 114 "
            pdb=" OH  TYR k 114 "
     model   vdw
     2.160 3.040
  nonbonded pdb=" OH  TYR I 114 "
            pdb=" OH  TYR S 114 "
     model   vdw
     2.160 3.040
  ... (remaining 609361 not shown)

  NOTE: a complete listing of the restraints can be obtained by requesting
        output of .geo file.
Find NCS groups from input model
Time spend for trying shortcut: 0.53
Found NCS groups:
ncs_group {
  reference = chain '1'
  selection = chain '0'
  selection = chain '3'
  selection = chain '2'
  selection = chain '5'
  selection = chain '4'
  selection = chain '7'
  selection = chain '6'
  selection = chain '9'
  selection = chain '8'
  selection = chain 'A'
  selection = chain 'C'
  selection = chain 'B'
  selection = chain 'E'
  selection = chain 'D'
  selection = chain 'G'
  selection = chain 'F'
  selection = chain 'I'
  selection = chain 'H'
  selection = chain 'K'
  selection = chain 'J'
  selection = chain 'M'
  selection = chain 'L'
  selection = chain 'O'
  selection = chain 'N'
  selection = chain 'Q'
  selection = chain 'P'
  selection = chain 'S'
  selection = chain 'R'
  selection = chain 'U'
  selection = chain 'T'
  selection = chain 'W'
  selection = chain 'V'
  selection = chain 'Y'
  selection = chain 'X'
  selection = chain 'Z'
  selection = chain 'a'
  selection = chain 'c'
  selection = chain 'b'
  selection = chain 'e'
  selection = chain 'd'
  selection = chain 'g'
  selection = chain 'f'
  selection = chain 'i'
  selection = chain 'h'
  selection = chain 'k'
  selection = chain 'j'
  selection = chain 'm'
  selection = chain 'l'
  selection = chain 'o'
  selection = chain 'n'
  selection = chain 'q'
  selection = chain 'p'
  selection = chain 's'
  selection = chain 'r'
  selection = chain 'u'
  selection = chain 't'
  selection = chain 'w'
  selection = chain 'v'
  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:                  0.000
  Normalize map: mean=0, sd=1:             2.470
  Set stop_for_unknowns flag:              0.000
  Assert model is a single copy model:     0.000
  Assert all atoms have isotropic ADPs:    0.000
  Construct map_model_manager:             0.070
  Extract box with map and model:          1.900
  Check model and map are aligned:         0.390
  Set scattering table:                    0.470
  Process input model:                     101.100
  Find NCS groups from input model:        1.250
  Set up NCS constraints:                  0.880
  Set refine NCS operators:                0.000
  Adjust number of macro_cycles:           0.000
  Reset NCS operators:                     0.000
  Extract rigid body selections:           0.000
  Check and reset occupancies:             0.020
  Load rotamer database and sin/cos tables:9.930
  Set ADP refinement strategy:             0.000
  Make a string to write initial .geo file:0.000
  Internal consistency checks:             0.000
  Total:  118.480
-------------------------------------------------------------------------------
Set refinement monitor
**********************
-------------------------------------------------------------------------------
Setup refinement engine
***********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8373
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      :  0.003   0.035  70560  Z= 0.199
  Angle     :  0.541   5.212  95640  Z= 0.361
  Chirality :  0.049   0.191  11220
  Planarity :  0.019   0.267  12480
  Dihedral  : 10.649  76.746  24660
  Min Nonbonded Distance : 2.160

Molprobity Statistics.
  All-atom Clashscore : 5.49
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  0.00 %
    Favored  : 100.00 %
  Rotamer:
    Outliers :  3.36 %
    Allowed  :  4.20 %
    Favored  : 92.44 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  2.00 (0.10), residues: 9300
  helix:  2.50 (0.08), residues: 4200
  sheet: -0.66 (0.11), residues: 2280
  loop :  1.52 (0.13), residues: 2820

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.002   0.001   TRP G 125 
 HIS   0.002   0.001   HIS l  75 
 PHE   0.003   0.001   PHE D 186 
 TYR   0.003   0.001   TYR 9 114 
 ARG   0.002   0.000   ARG L 138 

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

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

  18600 Ramachandran restraints generated.
    9300 Oldfield, 0 Emsley, 9300 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  18600 Ramachandran restraints generated.
    9300 Oldfield, 0 Emsley, 9300 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  2520 residues out of total 7140 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 240
    poor density    : 2280
  time to evaluate  : 5.751 
Fit side-chains
REVERT: B  149 ILE cc_start: 0.8517 (mp) cc_final: 0.8310 (mt)
REVERT: B  194 MET cc_start: 0.8360 (OUTLIER) cc_final: 0.8018 (tpp)
REVERT: B  208 LYS cc_start: 0.8787 (tmtm) cc_final: 0.8458 (tttp)
REVERT: B  211 GLU cc_start: 0.7779 (mt-10) cc_final: 0.7480 (mt-10)
REVERT: B  228 GLN cc_start: 0.5683 (OUTLIER) cc_final: 0.5456 (mt0)
REVERT: C  131 GLU cc_start: 0.8109 (mp0) cc_final: 0.7727 (mp0)
REVERT: C  194 MET cc_start: 0.8481 (OUTLIER) cc_final: 0.8026 (tpt)
REVERT: D  131 GLU cc_start: 0.8107 (mp0) cc_final: 0.7715 (mp0)
REVERT: D  194 MET cc_start: 0.8477 (OUTLIER) cc_final: 0.8021 (tpt)
REVERT: E  131 GLU cc_start: 0.7689 (mp0) cc_final: 0.7348 (mm-30)
REVERT: E  167 ASN cc_start: 0.8455 (m110) cc_final: 0.8050 (m110)
REVERT: E  211 GLU cc_start: 0.8000 (mt-10) cc_final: 0.7721 (mt-10)
REVERT: E  228 GLN cc_start: 0.5987 (OUTLIER) cc_final: 0.5483 (mt0)
REVERT: F  131 GLU cc_start: 0.7845 (mp0) cc_final: 0.7500 (mp0)
REVERT: F  194 MET cc_start: 0.8370 (OUTLIER) cc_final: 0.7733 (ttm)
REVERT: F  196 GLN cc_start: 0.8291 (mt0) cc_final: 0.8035 (mt0)
REVERT: F  219 MET cc_start: 0.8890 (mmm) cc_final: 0.8530 (mmp)
REVERT: G  149 ILE cc_start: 0.8519 (mp) cc_final: 0.8313 (mt)
REVERT: G  194 MET cc_start: 0.8362 (OUTLIER) cc_final: 0.8029 (tpp)
REVERT: G  208 LYS cc_start: 0.8787 (tmtm) cc_final: 0.8465 (tttp)
REVERT: G  211 GLU cc_start: 0.7772 (mt-10) cc_final: 0.7443 (mt-10)
REVERT: G  228 GLN cc_start: 0.5687 (OUTLIER) cc_final: 0.5460 (mt0)
REVERT: H  131 GLU cc_start: 0.7688 (mp0) cc_final: 0.7346 (mm-30)
REVERT: H  167 ASN cc_start: 0.8448 (m110) cc_final: 0.8042 (m110)
REVERT: H  211 GLU cc_start: 0.8017 (mt-10) cc_final: 0.7754 (mt-10)
REVERT: H  228 GLN cc_start: 0.5989 (OUTLIER) cc_final: 0.5485 (mt0)
REVERT: I  194 MET cc_start: 0.8362 (OUTLIER) cc_final: 0.8020 (tpp)
REVERT: I  208 LYS cc_start: 0.8787 (tmtm) cc_final: 0.8473 (tttp)
REVERT: I  211 GLU cc_start: 0.7772 (mt-10) cc_final: 0.7437 (mt-10)
REVERT: I  228 GLN cc_start: 0.5687 (OUTLIER) cc_final: 0.5463 (mt0)
REVERT: J  131 GLU cc_start: 0.8114 (mp0) cc_final: 0.7727 (mp0)
REVERT: J  194 MET cc_start: 0.8476 (OUTLIER) cc_final: 0.8012 (tpt)
REVERT: K  131 GLU cc_start: 0.7836 (mp0) cc_final: 0.7502 (mp0)
REVERT: K  194 MET cc_start: 0.8370 (OUTLIER) cc_final: 0.7739 (ttm)
REVERT: K  196 GLN cc_start: 0.8294 (mt0) cc_final: 0.8033 (mt0)
REVERT: K  219 MET cc_start: 0.8907 (mmm) cc_final: 0.8559 (mmp)
REVERT: L  131 GLU cc_start: 0.7688 (mp0) cc_final: 0.7348 (mm-30)
REVERT: L  167 ASN cc_start: 0.8448 (m110) cc_final: 0.8042 (m110)
REVERT: L  211 GLU cc_start: 0.8017 (mt-10) cc_final: 0.7761 (mt-10)
REVERT: L  219 MET cc_start: 0.8895 (mmm) cc_final: 0.8692 (mmp)
REVERT: L  228 GLN cc_start: 0.5989 (OUTLIER) cc_final: 0.5499 (mt0)
REVERT: M  131 GLU cc_start: 0.7845 (mp0) cc_final: 0.7486 (mp0)
REVERT: M  194 MET cc_start: 0.8370 (OUTLIER) cc_final: 0.7730 (ttm)
REVERT: M  196 GLN cc_start: 0.8291 (mt0) cc_final: 0.8035 (mt0)
REVERT: M  219 MET cc_start: 0.8890 (mmm) cc_final: 0.8540 (mmp)
REVERT: N  131 GLU cc_start: 0.7685 (mp0) cc_final: 0.7361 (mm-30)
REVERT: N  167 ASN cc_start: 0.8458 (m110) cc_final: 0.8053 (m110)
REVERT: N  211 GLU cc_start: 0.8018 (mt-10) cc_final: 0.7748 (mt-10)
REVERT: N  228 GLN cc_start: 0.5993 (OUTLIER) cc_final: 0.5495 (mt0)
REVERT: O  131 GLU cc_start: 0.7852 (mp0) cc_final: 0.7516 (mp0)
REVERT: O  194 MET cc_start: 0.8374 (OUTLIER) cc_final: 0.7737 (ttm)
REVERT: O  196 GLN cc_start: 0.8291 (mt0) cc_final: 0.8034 (mt0)
REVERT: O  219 MET cc_start: 0.8884 (mmm) cc_final: 0.8539 (mmp)
REVERT: P  149 ILE cc_start: 0.8521 (mp) cc_final: 0.8314 (mt)
REVERT: P  194 MET cc_start: 0.8357 (OUTLIER) cc_final: 0.8024 (tpp)
REVERT: P  208 LYS cc_start: 0.8774 (tmtm) cc_final: 0.8451 (tttp)
REVERT: P  211 GLU cc_start: 0.7799 (mt-10) cc_final: 0.7490 (mt-10)
REVERT: P  228 GLN cc_start: 0.5683 (OUTLIER) cc_final: 0.5459 (mt0)
REVERT: Q  131 GLU cc_start: 0.7852 (mp0) cc_final: 0.7512 (mp0)
REVERT: Q  194 MET cc_start: 0.8374 (OUTLIER) cc_final: 0.7737 (ttm)
REVERT: Q  196 GLN cc_start: 0.8291 (mt0) cc_final: 0.8036 (mt0)
REVERT: Q  219 MET cc_start: 0.8884 (mmm) cc_final: 0.8539 (mmp)
REVERT: R  131 GLU cc_start: 0.7689 (mp0) cc_final: 0.7353 (mm-30)
REVERT: R  167 ASN cc_start: 0.8455 (m110) cc_final: 0.8058 (m110)
REVERT: R  194 MET cc_start: 0.8448 (OUTLIER) cc_final: 0.8167 (tpt)
REVERT: R  211 GLU cc_start: 0.8000 (mt-10) cc_final: 0.7720 (mt-10)
REVERT: R  219 MET cc_start: 0.8884 (mmm) cc_final: 0.8682 (mmp)
REVERT: R  228 GLN cc_start: 0.5987 (OUTLIER) cc_final: 0.5498 (mt0)
REVERT: S  131 GLU cc_start: 0.8109 (mp0) cc_final: 0.7731 (mp0)
REVERT: S  194 MET cc_start: 0.8481 (OUTLIER) cc_final: 0.8025 (tpt)
REVERT: T  131 GLU cc_start: 0.8107 (mp0) cc_final: 0.7712 (mp0)
REVERT: T  194 MET cc_start: 0.8477 (OUTLIER) cc_final: 0.8022 (tpt)
REVERT: U  131 GLU cc_start: 0.7836 (mp0) cc_final: 0.7500 (mp0)
REVERT: U  194 MET cc_start: 0.8370 (OUTLIER) cc_final: 0.7739 (ttm)
REVERT: U  196 GLN cc_start: 0.8294 (mt0) cc_final: 0.8035 (mt0)
REVERT: U  219 MET cc_start: 0.8907 (mmm) cc_final: 0.8560 (mmp)
REVERT: V  131 GLU cc_start: 0.7685 (mp0) cc_final: 0.7360 (mm-30)
REVERT: V  167 ASN cc_start: 0.8458 (m110) cc_final: 0.8062 (m110)
REVERT: V  194 MET cc_start: 0.8449 (OUTLIER) cc_final: 0.8167 (tpt)
REVERT: V  211 GLU cc_start: 0.8018 (mt-10) cc_final: 0.7737 (mt-10)
REVERT: V  228 GLN cc_start: 0.5993 (OUTLIER) cc_final: 0.5495 (mt0)
REVERT: W  149 ILE cc_start: 0.8521 (mp) cc_final: 0.8314 (mt)
REVERT: W  194 MET cc_start: 0.8357 (OUTLIER) cc_final: 0.8026 (tpp)
REVERT: W  208 LYS cc_start: 0.8774 (tmtm) cc_final: 0.8453 (tttp)
REVERT: W  211 GLU cc_start: 0.7799 (mt-10) cc_final: 0.7489 (mt-10)
REVERT: W  228 GLN cc_start: 0.5683 (OUTLIER) cc_final: 0.5458 (mt0)
REVERT: X  149 ILE cc_start: 0.8517 (mp) cc_final: 0.8311 (mt)
REVERT: X  194 MET cc_start: 0.8360 (OUTLIER) cc_final: 0.8026 (tpp)
REVERT: X  208 LYS cc_start: 0.8787 (tmtm) cc_final: 0.8460 (tttp)
REVERT: X  211 GLU cc_start: 0.7779 (mt-10) cc_final: 0.7483 (mt-10)
REVERT: X  228 GLN cc_start: 0.5683 (OUTLIER) cc_final: 0.5459 (mt0)
REVERT: Y  131 GLU cc_start: 0.8114 (mp0) cc_final: 0.7724 (mp0)
REVERT: Y  194 MET cc_start: 0.8476 (OUTLIER) cc_final: 0.8015 (tpt)
REVERT: 3  131 GLU cc_start: 0.7838 (mp0) cc_final: 0.7478 (mp0)
REVERT: 3  194 MET cc_start: 0.8363 (OUTLIER) cc_final: 0.7720 (ttm)
REVERT: 3  196 GLN cc_start: 0.8296 (mt0) cc_final: 0.8039 (mt0)
REVERT: 3  219 MET cc_start: 0.8880 (mmm) cc_final: 0.8539 (mmp)
REVERT: 4  194 MET cc_start: 0.8365 (OUTLIER) cc_final: 0.8017 (tpp)
REVERT: 4  208 LYS cc_start: 0.8780 (tmtm) cc_final: 0.8464 (tttp)
REVERT: 4  211 GLU cc_start: 0.7785 (mt-10) cc_final: 0.7469 (mt-10)
REVERT: 4  228 GLN cc_start: 0.5688 (OUTLIER) cc_final: 0.5459 (mt0)
REVERT: 5  131 GLU cc_start: 0.8114 (mp0) cc_final: 0.7728 (mp0)
REVERT: 5  194 MET cc_start: 0.8476 (OUTLIER) cc_final: 0.8008 (tpt)
REVERT: 6  131 GLU cc_start: 0.7689 (mp0) cc_final: 0.7348 (mm-30)
REVERT: 6  167 ASN cc_start: 0.8455 (m110) cc_final: 0.8048 (m110)
REVERT: 6  211 GLU cc_start: 0.8000 (mt-10) cc_final: 0.7722 (mt-10)
REVERT: 6  228 GLN cc_start: 0.5987 (OUTLIER) cc_final: 0.5484 (mt0)
REVERT: 7  131 GLU cc_start: 0.7838 (mp0) cc_final: 0.7478 (mp0)
REVERT: 7  194 MET cc_start: 0.8363 (OUTLIER) cc_final: 0.7720 (ttm)
REVERT: 7  196 GLN cc_start: 0.8296 (mt0) cc_final: 0.8040 (mt0)
REVERT: 7  219 MET cc_start: 0.8880 (mmm) cc_final: 0.8531 (mmp)
REVERT: 8  131 GLU cc_start: 0.7684 (mp0) cc_final: 0.7354 (mm-30)
REVERT: 8  167 ASN cc_start: 0.8453 (m110) cc_final: 0.8044 (m110)
REVERT: 8  211 GLU cc_start: 0.7995 (mt-10) cc_final: 0.7740 (mt-10)
REVERT: 8  219 MET cc_start: 0.8891 (mmm) cc_final: 0.8683 (mmp)
REVERT: 8  228 GLN cc_start: 0.5984 (OUTLIER) cc_final: 0.5489 (mt0)
REVERT: 9  131 GLU cc_start: 0.7836 (mp0) cc_final: 0.7485 (mp0)
REVERT: 9  194 MET cc_start: 0.8370 (OUTLIER) cc_final: 0.7736 (ttm)
REVERT: 9  196 GLN cc_start: 0.8294 (mt0) cc_final: 0.8034 (mt0)
REVERT: 9  219 MET cc_start: 0.8907 (mmm) cc_final: 0.8560 (mmp)
REVERT: a  131 GLU cc_start: 0.8109 (mp0) cc_final: 0.7730 (mp0)
REVERT: a  194 MET cc_start: 0.8481 (OUTLIER) cc_final: 0.8022 (tpt)
REVERT: b  194 MET cc_start: 0.8365 (OUTLIER) cc_final: 0.8020 (tpp)
REVERT: b  208 LYS cc_start: 0.8780 (tmtm) cc_final: 0.8466 (tttp)
REVERT: b  211 GLU cc_start: 0.7785 (mt-10) cc_final: 0.7468 (mt-10)
REVERT: b  228 GLN cc_start: 0.5688 (OUTLIER) cc_final: 0.5457 (mt0)
REVERT: c  131 GLU cc_start: 0.7684 (mp0) cc_final: 0.7353 (mm-30)
REVERT: c  167 ASN cc_start: 0.8453 (m110) cc_final: 0.8051 (m110)
REVERT: c  194 MET cc_start: 0.8445 (OUTLIER) cc_final: 0.8160 (tpt)
REVERT: c  211 GLU cc_start: 0.7995 (mt-10) cc_final: 0.7733 (mt-10)
REVERT: c  228 GLN cc_start: 0.5984 (OUTLIER) cc_final: 0.5485 (mt0)
REVERT: h  194 MET cc_start: 0.8360 (OUTLIER) cc_final: 0.8018 (tpp)
REVERT: h  208 LYS cc_start: 0.8787 (tmtm) cc_final: 0.8469 (tttp)
REVERT: h  211 GLU cc_start: 0.7779 (mt-10) cc_final: 0.7474 (mt-10)
REVERT: h  228 GLN cc_start: 0.5683 (OUTLIER) cc_final: 0.5456 (mt0)
REVERT: i  131 GLU cc_start: 0.8107 (mp0) cc_final: 0.7716 (mp0)
REVERT: i  194 MET cc_start: 0.8477 (OUTLIER) cc_final: 0.8018 (tpt)
REVERT: j  131 GLU cc_start: 0.8110 (mp0) cc_final: 0.7732 (mp0)
REVERT: j  194 MET cc_start: 0.8473 (OUTLIER) cc_final: 0.8020 (tpt)
REVERT: k  194 MET cc_start: 0.8365 (OUTLIER) cc_final: 0.8026 (tpp)
REVERT: k  208 LYS cc_start: 0.8780 (tmtm) cc_final: 0.8464 (tttp)
REVERT: k  211 GLU cc_start: 0.7785 (mt-10) cc_final: 0.7468 (mt-10)
REVERT: k  228 GLN cc_start: 0.5688 (OUTLIER) cc_final: 0.5455 (mt0)
REVERT: l  194 MET cc_start: 0.8357 (OUTLIER) cc_final: 0.8016 (tpp)
REVERT: l  208 LYS cc_start: 0.8774 (tmtm) cc_final: 0.8459 (tttp)
REVERT: l  211 GLU cc_start: 0.7799 (mt-10) cc_final: 0.7481 (mt-10)
REVERT: l  228 GLN cc_start: 0.5683 (OUTLIER) cc_final: 0.5461 (mt0)
REVERT: m  131 GLU cc_start: 0.8110 (mp0) cc_final: 0.7740 (mp0)
REVERT: m  194 MET cc_start: 0.8473 (OUTLIER) cc_final: 0.8015 (tpt)
REVERT: o  131 GLU cc_start: 0.7684 (mp0) cc_final: 0.7353 (mm-30)
REVERT: o  167 ASN cc_start: 0.8453 (m110) cc_final: 0.8050 (m110)
REVERT: o  194 MET cc_start: 0.8445 (OUTLIER) cc_final: 0.8160 (tpt)
REVERT: o  211 GLU cc_start: 0.7995 (mt-10) cc_final: 0.7728 (mt-10)
REVERT: o  219 MET cc_start: 0.8891 (mmm) cc_final: 0.8682 (mmp)
REVERT: o  228 GLN cc_start: 0.5984 (OUTLIER) cc_final: 0.5488 (mt0)
REVERT: p  131 GLU cc_start: 0.7852 (mp0) cc_final: 0.7500 (mp0)
REVERT: p  194 MET cc_start: 0.8374 (OUTLIER) cc_final: 0.7731 (ttm)
REVERT: p  196 GLN cc_start: 0.8291 (mt0) cc_final: 0.8032 (mt0)
REVERT: p  219 MET cc_start: 0.8884 (mmm) cc_final: 0.8532 (mmp)
REVERT: q  131 GLU cc_start: 0.7685 (mp0) cc_final: 0.7359 (mm-30)
REVERT: q  167 ASN cc_start: 0.8458 (m110) cc_final: 0.8058 (m110)
REVERT: q  194 MET cc_start: 0.8449 (OUTLIER) cc_final: 0.8164 (tpt)
REVERT: q  211 GLU cc_start: 0.8018 (mt-10) cc_final: 0.7743 (mt-10)
REVERT: q  228 GLN cc_start: 0.5993 (OUTLIER) cc_final: 0.5498 (mt0)
REVERT: r  131 GLU cc_start: 0.7845 (mp0) cc_final: 0.7487 (mp0)
REVERT: r  194 MET cc_start: 0.8370 (OUTLIER) cc_final: 0.7729 (ttm)
REVERT: r  196 GLN cc_start: 0.8291 (mt0) cc_final: 0.8033 (mt0)
REVERT: r  219 MET cc_start: 0.8890 (mmm) cc_final: 0.8533 (mmp)
REVERT: u  194 MET cc_start: 0.8362 (OUTLIER) cc_final: 0.8029 (tpp)
REVERT: u  208 LYS cc_start: 0.8787 (tmtm) cc_final: 0.8474 (tttp)
REVERT: u  211 GLU cc_start: 0.7772 (mt-10) cc_final: 0.7438 (mt-10)
REVERT: u  228 GLN cc_start: 0.5687 (OUTLIER) cc_final: 0.5459 (mt0)
REVERT: v  131 GLU cc_start: 0.8110 (mp0) cc_final: 0.7737 (mp0)
REVERT: v  194 MET cc_start: 0.8473 (OUTLIER) cc_final: 0.8017 (tpt)
REVERT: w  131 GLU cc_start: 0.7688 (mp0) cc_final: 0.7351 (mm-30)
REVERT: w  167 ASN cc_start: 0.8448 (m110) cc_final: 0.8050 (m110)
REVERT: w  194 MET cc_start: 0.8441 (OUTLIER) cc_final: 0.8148 (tpt)
REVERT: w  211 GLU cc_start: 0.8017 (mt-10) cc_final: 0.7751 (mt-10)
REVERT: w  219 MET cc_start: 0.8895 (mmm) cc_final: 0.8690 (mmp)
REVERT: w  228 GLN cc_start: 0.5989 (OUTLIER) cc_final: 0.5497 (mt0)
REVERT: x  131 GLU cc_start: 0.7838 (mp0) cc_final: 0.7478 (mp0)
REVERT: x  194 MET cc_start: 0.8363 (OUTLIER) cc_final: 0.7721 (ttm)
REVERT: x  196 GLN cc_start: 0.8296 (mt0) cc_final: 0.8038 (mt0)
REVERT: x  219 MET cc_start: 0.8880 (mmm) cc_final: 0.8530 (mmp)
  outliers start: 240
  outliers final: 96
  residues processed: 2400
  average time/residue: 1.8400
  time to fit residues: 5509.6723
Evaluate side-chains
  1974 residues out of total 7140 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 162
    poor density    : 1812
  time to evaluate  : 5.811 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   92 VAL
Chi-restraints excluded: chain A residue  193 ASP
Chi-restraints excluded: chain B residue  193 ASP
Chi-restraints excluded: chain B residue  194 MET
Chi-restraints excluded: chain B residue  228 GLN
Chi-restraints excluded: chain C residue  193 ASP
Chi-restraints excluded: chain C residue  194 MET
Chi-restraints excluded: chain D residue  193 ASP
Chi-restraints excluded: chain D residue  194 MET
Chi-restraints excluded: chain E residue   92 VAL
Chi-restraints excluded: chain E residue  193 ASP
Chi-restraints excluded: chain E residue  228 GLN
Chi-restraints excluded: chain F residue   92 VAL
Chi-restraints excluded: chain F residue  193 ASP
Chi-restraints excluded: chain F residue  194 MET
Chi-restraints excluded: chain G residue  193 ASP
Chi-restraints excluded: chain G residue  194 MET
Chi-restraints excluded: chain G residue  228 GLN
Chi-restraints excluded: chain H residue   92 VAL
Chi-restraints excluded: chain H residue  193 ASP
Chi-restraints excluded: chain H residue  228 GLN
Chi-restraints excluded: chain I residue  193 ASP
Chi-restraints excluded: chain I residue  194 MET
Chi-restraints excluded: chain I residue  228 GLN
Chi-restraints excluded: chain J residue  193 ASP
Chi-restraints excluded: chain J residue  194 MET
Chi-restraints excluded: chain K residue   92 VAL
Chi-restraints excluded: chain K residue  193 ASP
Chi-restraints excluded: chain K residue  194 MET
Chi-restraints excluded: chain L residue   92 VAL
Chi-restraints excluded: chain L residue  193 ASP
Chi-restraints excluded: chain L residue  228 GLN
Chi-restraints excluded: chain M residue   92 VAL
Chi-restraints excluded: chain M residue  193 ASP
Chi-restraints excluded: chain M residue  194 MET
Chi-restraints excluded: chain N residue   92 VAL
Chi-restraints excluded: chain N residue  193 ASP
Chi-restraints excluded: chain N residue  228 GLN
Chi-restraints excluded: chain O residue   92 VAL
Chi-restraints excluded: chain O residue  193 ASP
Chi-restraints excluded: chain O residue  194 MET
Chi-restraints excluded: chain P residue  193 ASP
Chi-restraints excluded: chain P residue  194 MET
Chi-restraints excluded: chain P residue  228 GLN
Chi-restraints excluded: chain Q residue   92 VAL
Chi-restraints excluded: chain Q residue  193 ASP
Chi-restraints excluded: chain Q residue  194 MET
Chi-restraints excluded: chain R residue   92 VAL
Chi-restraints excluded: chain R residue  193 ASP
Chi-restraints excluded: chain R residue  194 MET
Chi-restraints excluded: chain R residue  228 GLN
Chi-restraints excluded: chain S residue  193 ASP
Chi-restraints excluded: chain S residue  194 MET
Chi-restraints excluded: chain T residue  193 ASP
Chi-restraints excluded: chain T residue  194 MET
Chi-restraints excluded: chain U residue   92 VAL
Chi-restraints excluded: chain U residue  193 ASP
Chi-restraints excluded: chain U residue  194 MET
Chi-restraints excluded: chain V residue   92 VAL
Chi-restraints excluded: chain V residue  193 ASP
Chi-restraints excluded: chain V residue  194 MET
Chi-restraints excluded: chain V residue  228 GLN
Chi-restraints excluded: chain W residue  193 ASP
Chi-restraints excluded: chain W residue  194 MET
Chi-restraints excluded: chain W residue  228 GLN
Chi-restraints excluded: chain X residue  193 ASP
Chi-restraints excluded: chain X residue  194 MET
Chi-restraints excluded: chain X residue  228 GLN
Chi-restraints excluded: chain Y residue  193 ASP
Chi-restraints excluded: chain Y residue  194 MET
Chi-restraints excluded: chain Z residue   92 VAL
Chi-restraints excluded: chain Z residue  193 ASP
Chi-restraints excluded: chain 0 residue   92 VAL
Chi-restraints excluded: chain 0 residue  193 ASP
Chi-restraints excluded: chain 1 residue   92 VAL
Chi-restraints excluded: chain 1 residue  193 ASP
Chi-restraints excluded: chain 2 residue   92 VAL
Chi-restraints excluded: chain 2 residue  193 ASP
Chi-restraints excluded: chain 3 residue   92 VAL
Chi-restraints excluded: chain 3 residue  193 ASP
Chi-restraints excluded: chain 3 residue  194 MET
Chi-restraints excluded: chain 4 residue  193 ASP
Chi-restraints excluded: chain 4 residue  194 MET
Chi-restraints excluded: chain 4 residue  228 GLN
Chi-restraints excluded: chain 5 residue  193 ASP
Chi-restraints excluded: chain 5 residue  194 MET
Chi-restraints excluded: chain 6 residue   92 VAL
Chi-restraints excluded: chain 6 residue  193 ASP
Chi-restraints excluded: chain 6 residue  228 GLN
Chi-restraints excluded: chain 7 residue   92 VAL
Chi-restraints excluded: chain 7 residue  193 ASP
Chi-restraints excluded: chain 7 residue  194 MET
Chi-restraints excluded: chain 8 residue   92 VAL
Chi-restraints excluded: chain 8 residue  193 ASP
Chi-restraints excluded: chain 8 residue  228 GLN
Chi-restraints excluded: chain 9 residue   92 VAL
Chi-restraints excluded: chain 9 residue  193 ASP
Chi-restraints excluded: chain 9 residue  194 MET
Chi-restraints excluded: chain a residue  193 ASP
Chi-restraints excluded: chain a residue  194 MET
Chi-restraints excluded: chain b residue  193 ASP
Chi-restraints excluded: chain b residue  194 MET
Chi-restraints excluded: chain b residue  228 GLN
Chi-restraints excluded: chain c residue   92 VAL
Chi-restraints excluded: chain c residue  193 ASP
Chi-restraints excluded: chain c residue  194 MET
Chi-restraints excluded: chain c residue  228 GLN
Chi-restraints excluded: chain d residue   92 VAL
Chi-restraints excluded: chain d residue  193 ASP
Chi-restraints excluded: chain e residue   92 VAL
Chi-restraints excluded: chain e residue  193 ASP
Chi-restraints excluded: chain f residue   92 VAL
Chi-restraints excluded: chain f residue  193 ASP
Chi-restraints excluded: chain g residue   92 VAL
Chi-restraints excluded: chain g residue  193 ASP
Chi-restraints excluded: chain h residue  193 ASP
Chi-restraints excluded: chain h residue  194 MET
Chi-restraints excluded: chain h residue  228 GLN
Chi-restraints excluded: chain i residue  193 ASP
Chi-restraints excluded: chain i residue  194 MET
Chi-restraints excluded: chain j residue  193 ASP
Chi-restraints excluded: chain j residue  194 MET
Chi-restraints excluded: chain k residue  193 ASP
Chi-restraints excluded: chain k residue  194 MET
Chi-restraints excluded: chain k residue  228 GLN
Chi-restraints excluded: chain l residue  193 ASP
Chi-restraints excluded: chain l residue  194 MET
Chi-restraints excluded: chain l residue  228 GLN
Chi-restraints excluded: chain m residue  193 ASP
Chi-restraints excluded: chain m residue  194 MET
Chi-restraints excluded: chain n residue   92 VAL
Chi-restraints excluded: chain n residue  193 ASP
Chi-restraints excluded: chain o residue   92 VAL
Chi-restraints excluded: chain o residue  193 ASP
Chi-restraints excluded: chain o residue  194 MET
Chi-restraints excluded: chain o residue  228 GLN
Chi-restraints excluded: chain p residue   92 VAL
Chi-restraints excluded: chain p residue  193 ASP
Chi-restraints excluded: chain p residue  194 MET
Chi-restraints excluded: chain q residue   92 VAL
Chi-restraints excluded: chain q residue  193 ASP
Chi-restraints excluded: chain q residue  194 MET
Chi-restraints excluded: chain q residue  228 GLN
Chi-restraints excluded: chain r residue   92 VAL
Chi-restraints excluded: chain r residue  193 ASP
Chi-restraints excluded: chain r residue  194 MET
Chi-restraints excluded: chain s residue   92 VAL
Chi-restraints excluded: chain s residue  193 ASP
Chi-restraints excluded: chain t residue   92 VAL
Chi-restraints excluded: chain t residue  193 ASP
Chi-restraints excluded: chain u residue  193 ASP
Chi-restraints excluded: chain u residue  194 MET
Chi-restraints excluded: chain u residue  228 GLN
Chi-restraints excluded: chain v residue  193 ASP
Chi-restraints excluded: chain v residue  194 MET
Chi-restraints excluded: chain w residue   92 VAL
Chi-restraints excluded: chain w residue  193 ASP
Chi-restraints excluded: chain w residue  194 MET
Chi-restraints excluded: chain w residue  228 GLN
Chi-restraints excluded: chain x residue   92 VAL
Chi-restraints excluded: chain x residue  193 ASP
Chi-restraints excluded: chain x residue  194 MET
Rotamers are restrained with sigma=5.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 900
   random chunks:
   chunk 759 optimal weight:   10.0000
   chunk 682 optimal weight:    6.9990
   chunk 378 optimal weight:    1.9990
   chunk 233 optimal weight:   10.0000
   chunk 460 optimal weight:    0.6980
   chunk 364 optimal weight:    0.9990
   chunk 705 optimal weight:   10.0000
   chunk 272 optimal weight:    0.8980
   chunk 428 optimal weight:    7.9990
   chunk 525 optimal weight:    4.9990
   chunk 817 optimal weight:    7.9990
   overall best weight:    1.9186

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

Flipped N/Q/H residues before XYZ refinement:
A  75 HIS
B  75 HIS
C  75 HIS
D  75 HIS
E  75 HIS
E 196 GLN
F  75 HIS
G  75 HIS
H  75 HIS
H 196 GLN
I  75 HIS
J  75 HIS
K  75 HIS
L  75 HIS
L 196 GLN
M  75 HIS
N  75 HIS
N 196 GLN
O  75 HIS
P  75 HIS
Q  75 HIS
R  75 HIS
R 196 GLN
S  75 HIS
T  75 HIS
U  75 HIS
V  75 HIS
V 196 GLN
W  75 HIS
X  75 HIS
Y  75 HIS
Z  75 HIS
0  75 HIS
1  75 HIS
2  75 HIS
3  75 HIS
4  75 HIS
5  75 HIS
6  75 HIS
6 196 GLN
7  75 HIS
8  75 HIS
8 196 GLN
9  75 HIS
a  75 HIS
b  75 HIS
c  75 HIS
c 196 GLN
d  75 HIS
e  75 HIS
f  75 HIS
g  75 HIS
h  75 HIS
i  75 HIS
j  75 HIS
k  75 HIS
l  75 HIS
m  75 HIS
n  75 HIS
o  75 HIS
o 196 GLN
p  75 HIS
q  75 HIS
q 196 GLN
r  75 HIS
s  75 HIS
t  75 HIS
u  75 HIS
v  75 HIS
w  75 HIS
w 196 GLN
x  75 HIS

Total number of N/Q/H flips: 72

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3246 r_free = 0.3246 target = 0.115608 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 27)----------------|
| r_work = 0.2968 r_free = 0.2968 target = 0.095656 restraints weight = 74948.487|
|-----------------------------------------------------------------------------|
r_work (start): 0.2955 rms_B_bonded: 1.51
r_work: 0.2811 rms_B_bonded: 2.12 restraints_weight: 0.5000
r_work: 0.2661 rms_B_bonded: 3.52 restraints_weight: 0.2500
r_work (final): 0.2661
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8565
moved from start:          0.2070

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.029  70560  Z= 0.237
  Angle     :  0.463   5.043  95640  Z= 0.253
  Chirality :  0.049   0.151  11220
  Planarity :  0.004   0.033  12480
  Dihedral  :  5.863  79.159  10434
  Min Nonbonded Distance : 2.587

Molprobity Statistics.
  All-atom Clashscore : 5.39
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  0.52 %
    Favored  : 99.48 %
  Rotamer:
    Outliers :  3.88 %
    Allowed  :  9.73 %
    Favored  : 86.39 %
  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:  1.43 (0.09), residues: 9300
  helix:  1.93 (0.08), residues: 4500
  sheet: -1.23 (0.10), residues: 2280
  loop :  1.65 (0.14), residues: 2520

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.005   0.001   TRP e 125 
 HIS   0.004   0.001   HIS 8 146 
 PHE   0.009   0.002   PHE W 223 
 TYR   0.006   0.001   TYR o 114 
 ARG   0.003   0.000   ARG l 200 

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

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

  18600 Ramachandran restraints generated.
    9300 Oldfield, 0 Emsley, 9300 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  18600 Ramachandran restraints generated.
    9300 Oldfield, 0 Emsley, 9300 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  2223 residues out of total 7140 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 277
    poor density    : 1946
  time to evaluate  : 6.019 
Fit side-chains
REVERT: A  175 SER cc_start: 0.8829 (m) cc_final: 0.8479 (t)
REVERT: B   74 ARG cc_start: 0.8688 (OUTLIER) cc_final: 0.8375 (ttm170)
REVERT: B  105 GLU cc_start: 0.8377 (mm-30) cc_final: 0.8113 (mm-30)
REVERT: B  194 MET cc_start: 0.8601 (tpp) cc_final: 0.8354 (tpp)
REVERT: B  211 GLU cc_start: 0.8417 (mt-10) cc_final: 0.8137 (mt-10)
REVERT: B  228 GLN cc_start: 0.5965 (OUTLIER) cc_final: 0.5728 (mt0)
REVERT: C  105 GLU cc_start: 0.8629 (mm-30) cc_final: 0.8397 (mm-30)
REVERT: C  144 LYS cc_start: 0.8834 (mtmm) cc_final: 0.8448 (mtmm)
REVERT: D  105 GLU cc_start: 0.8623 (mm-30) cc_final: 0.8391 (mm-30)
REVERT: D  144 LYS cc_start: 0.8834 (mtmm) cc_final: 0.8441 (mtmm)
REVERT: E  105 GLU cc_start: 0.8382 (OUTLIER) cc_final: 0.7905 (mp0)
REVERT: E  131 GLU cc_start: 0.8299 (mp0) cc_final: 0.7971 (mm-30)
REVERT: E  167 ASN cc_start: 0.8502 (m110) cc_final: 0.8119 (m110)
REVERT: E  175 SER cc_start: 0.8922 (m) cc_final: 0.8663 (t)
REVERT: E  211 GLU cc_start: 0.8623 (mt-10) cc_final: 0.8326 (mt-10)
REVERT: E  228 GLN cc_start: 0.6283 (OUTLIER) cc_final: 0.5669 (mt0)
REVERT: F  196 GLN cc_start: 0.8633 (mt0) cc_final: 0.8301 (mt0)
REVERT: F  219 MET cc_start: 0.9117 (mmm) cc_final: 0.8837 (mmp)
REVERT: G   74 ARG cc_start: 0.8686 (OUTLIER) cc_final: 0.8373 (ttm170)
REVERT: G  105 GLU cc_start: 0.8378 (mm-30) cc_final: 0.8118 (mm-30)
REVERT: G  194 MET cc_start: 0.8613 (tpp) cc_final: 0.8353 (tpp)
REVERT: G  211 GLU cc_start: 0.8450 (mt-10) cc_final: 0.8168 (mt-10)
REVERT: G  228 GLN cc_start: 0.5949 (OUTLIER) cc_final: 0.5706 (mt0)
REVERT: H  105 GLU cc_start: 0.8383 (OUTLIER) cc_final: 0.7910 (mp0)
REVERT: H  131 GLU cc_start: 0.8297 (mp0) cc_final: 0.7971 (mm-30)
REVERT: H  167 ASN cc_start: 0.8501 (m110) cc_final: 0.8114 (m110)
REVERT: H  175 SER cc_start: 0.8931 (m) cc_final: 0.8671 (t)
REVERT: H  211 GLU cc_start: 0.8621 (mt-10) cc_final: 0.8334 (mt-10)
REVERT: H  228 GLN cc_start: 0.6259 (OUTLIER) cc_final: 0.5644 (mt0)
REVERT: I   74 ARG cc_start: 0.8676 (OUTLIER) cc_final: 0.8366 (ttm170)
REVERT: I  105 GLU cc_start: 0.8382 (mm-30) cc_final: 0.8129 (mm-30)
REVERT: I  194 MET cc_start: 0.8607 (tpp) cc_final: 0.8358 (tpp)
REVERT: I  211 GLU cc_start: 0.8427 (mt-10) cc_final: 0.8150 (mt-10)
REVERT: I  228 GLN cc_start: 0.5954 (OUTLIER) cc_final: 0.5721 (mt0)
REVERT: J  105 GLU cc_start: 0.8625 (mm-30) cc_final: 0.8398 (mm-30)
REVERT: J  144 LYS cc_start: 0.8823 (mtmm) cc_final: 0.8439 (mtmm)
REVERT: K  196 GLN cc_start: 0.8615 (mt0) cc_final: 0.8286 (mt0)
REVERT: K  219 MET cc_start: 0.9119 (mmm) cc_final: 0.8770 (mmp)
REVERT: L  105 GLU cc_start: 0.8376 (OUTLIER) cc_final: 0.7900 (mp0)
REVERT: L  131 GLU cc_start: 0.8317 (mp0) cc_final: 0.7994 (mm-30)
REVERT: L  167 ASN cc_start: 0.8487 (m110) cc_final: 0.8100 (m110)
REVERT: L  175 SER cc_start: 0.8937 (m) cc_final: 0.8681 (t)
REVERT: L  211 GLU cc_start: 0.8616 (mt-10) cc_final: 0.8313 (mt-10)
REVERT: L  219 MET cc_start: 0.9114 (mmm) cc_final: 0.8883 (mmp)
REVERT: L  228 GLN cc_start: 0.6271 (OUTLIER) cc_final: 0.5653 (mt0)
REVERT: M  196 GLN cc_start: 0.8629 (mt0) cc_final: 0.8294 (mt0)
REVERT: M  219 MET cc_start: 0.9118 (mmm) cc_final: 0.8763 (mmp)
REVERT: N  105 GLU cc_start: 0.8399 (OUTLIER) cc_final: 0.7923 (mp0)
REVERT: N  131 GLU cc_start: 0.8314 (mp0) cc_final: 0.7990 (mm-30)
REVERT: N  167 ASN cc_start: 0.8509 (m110) cc_final: 0.8128 (m110)
REVERT: N  175 SER cc_start: 0.8925 (m) cc_final: 0.8665 (t)
REVERT: N  211 GLU cc_start: 0.8621 (mt-10) cc_final: 0.8326 (mt-10)
REVERT: N  228 GLN cc_start: 0.6293 (OUTLIER) cc_final: 0.5675 (mt0)
REVERT: O  196 GLN cc_start: 0.8641 (mt0) cc_final: 0.8309 (mt0)
REVERT: O  219 MET cc_start: 0.9120 (mmm) cc_final: 0.8766 (mmp)
REVERT: P   74 ARG cc_start: 0.8690 (OUTLIER) cc_final: 0.8377 (ttm170)
REVERT: P  105 GLU cc_start: 0.8361 (mm-30) cc_final: 0.8093 (mm-30)
REVERT: P  194 MET cc_start: 0.8603 (tpp) cc_final: 0.8341 (tpp)
REVERT: P  211 GLU cc_start: 0.8433 (mt-10) cc_final: 0.8149 (mt-10)
REVERT: P  228 GLN cc_start: 0.5964 (OUTLIER) cc_final: 0.5724 (mt0)
REVERT: Q  196 GLN cc_start: 0.8629 (mt0) cc_final: 0.8295 (mt0)
REVERT: Q  219 MET cc_start: 0.9114 (mmm) cc_final: 0.8760 (mmp)
REVERT: R  105 GLU cc_start: 0.8372 (OUTLIER) cc_final: 0.7899 (mp0)
REVERT: R  131 GLU cc_start: 0.8315 (mp0) cc_final: 0.7991 (mm-30)
REVERT: R  167 ASN cc_start: 0.8495 (m110) cc_final: 0.8114 (m110)
REVERT: R  175 SER cc_start: 0.8924 (m) cc_final: 0.8668 (t)
REVERT: R  194 MET cc_start: 0.8836 (tpp) cc_final: 0.8244 (tpt)
REVERT: R  211 GLU cc_start: 0.8602 (mt-10) cc_final: 0.8294 (mt-10)
REVERT: R  219 MET cc_start: 0.9110 (mmm) cc_final: 0.8881 (mmp)
REVERT: R  228 GLN cc_start: 0.6278 (OUTLIER) cc_final: 0.5660 (mt0)
REVERT: S  105 GLU cc_start: 0.8613 (mm-30) cc_final: 0.8378 (mm-30)
REVERT: S  144 LYS cc_start: 0.8841 (mtmm) cc_final: 0.8454 (mtmm)
REVERT: T  105 GLU cc_start: 0.8614 (mm-30) cc_final: 0.8381 (mm-30)
REVERT: T  144 LYS cc_start: 0.8842 (mtmm) cc_final: 0.8450 (mtmm)
REVERT: U  196 GLN cc_start: 0.8613 (mt0) cc_final: 0.8282 (mt0)
REVERT: U  219 MET cc_start: 0.9121 (mmm) cc_final: 0.8773 (mmp)
REVERT: V  105 GLU cc_start: 0.8393 (OUTLIER) cc_final: 0.7913 (mp0)
REVERT: V  131 GLU cc_start: 0.8304 (mp0) cc_final: 0.7976 (mm-30)
REVERT: V  167 ASN cc_start: 0.8511 (m110) cc_final: 0.8130 (m110)
REVERT: V  175 SER cc_start: 0.8921 (m) cc_final: 0.8659 (t)
REVERT: V  194 MET cc_start: 0.8850 (tpp) cc_final: 0.8263 (tpt)
REVERT: V  211 GLU cc_start: 0.8619 (mt-10) cc_final: 0.8327 (mt-10)
REVERT: V  228 GLN cc_start: 0.6276 (OUTLIER) cc_final: 0.5659 (mt0)
REVERT: W   74 ARG cc_start: 0.8693 (OUTLIER) cc_final: 0.8375 (ttm170)
REVERT: W  105 GLU cc_start: 0.8373 (mm-30) cc_final: 0.8106 (mm-30)
REVERT: W  194 MET cc_start: 0.8604 (tpp) cc_final: 0.8347 (tpp)
REVERT: W  211 GLU cc_start: 0.8431 (mt-10) cc_final: 0.8148 (mt-10)
REVERT: W  228 GLN cc_start: 0.5951 (OUTLIER) cc_final: 0.5715 (mt0)
REVERT: X   74 ARG cc_start: 0.8696 (OUTLIER) cc_final: 0.8382 (ttm170)
REVERT: X  105 GLU cc_start: 0.8383 (mm-30) cc_final: 0.8117 (mm-30)
REVERT: X  194 MET cc_start: 0.8599 (tpp) cc_final: 0.8340 (tpp)
REVERT: X  211 GLU cc_start: 0.8421 (mt-10) cc_final: 0.8137 (mt-10)
REVERT: X  228 GLN cc_start: 0.5970 (OUTLIER) cc_final: 0.5737 (mt0)
REVERT: Y  105 GLU cc_start: 0.8613 (mm-30) cc_final: 0.8383 (mm-30)
REVERT: Y  144 LYS cc_start: 0.8821 (mtmm) cc_final: 0.8437 (mtmm)
REVERT: Z  175 SER cc_start: 0.8832 (m) cc_final: 0.8472 (t)
REVERT: 0  175 SER cc_start: 0.8841 (m) cc_final: 0.8487 (t)
REVERT: 1  175 SER cc_start: 0.8825 (m) cc_final: 0.8474 (t)
REVERT: 2  175 SER cc_start: 0.8841 (m) cc_final: 0.8491 (t)
REVERT: 3  196 GLN cc_start: 0.8649 (mt0) cc_final: 0.8314 (mt0)
REVERT: 3  219 MET cc_start: 0.9120 (mmm) cc_final: 0.8771 (mmp)
REVERT: 4   74 ARG cc_start: 0.8683 (OUTLIER) cc_final: 0.8379 (ttm170)
REVERT: 4  105 GLU cc_start: 0.8362 (mm-30) cc_final: 0.8104 (mm-30)
REVERT: 4  194 MET cc_start: 0.8593 (tpp) cc_final: 0.8349 (tpp)
REVERT: 4  211 GLU cc_start: 0.8421 (mt-10) cc_final: 0.8152 (mt-10)
REVERT: 4  228 GLN cc_start: 0.5979 (OUTLIER) cc_final: 0.5733 (mt0)
REVERT: 5  105 GLU cc_start: 0.8613 (mm-30) cc_final: 0.8383 (mm-30)
REVERT: 5  144 LYS cc_start: 0.8830 (mtmm) cc_final: 0.8446 (mtmm)
REVERT: 6  105 GLU cc_start: 0.8379 (OUTLIER) cc_final: 0.7903 (mp0)
REVERT: 6  131 GLU cc_start: 0.8311 (mp0) cc_final: 0.7985 (mm-30)
REVERT: 6  167 ASN cc_start: 0.8494 (m110) cc_final: 0.8110 (m110)
REVERT: 6  175 SER cc_start: 0.8924 (m) cc_final: 0.8665 (t)
REVERT: 6  211 GLU cc_start: 0.8609 (mt-10) cc_final: 0.8311 (mt-10)
REVERT: 6  228 GLN cc_start: 0.6263 (OUTLIER) cc_final: 0.5652 (mt0)
REVERT: 7  196 GLN cc_start: 0.8653 (mt0) cc_final: 0.8321 (mt0)
REVERT: 7  219 MET cc_start: 0.9110 (mmm) cc_final: 0.8830 (mmp)
REVERT: 8  105 GLU cc_start: 0.8395 (OUTLIER) cc_final: 0.7922 (mp0)
REVERT: 8  131 GLU cc_start: 0.8315 (mp0) cc_final: 0.7995 (mm-30)
REVERT: 8  167 ASN cc_start: 0.8496 (m110) cc_final: 0.8118 (m110)
REVERT: 8  175 SER cc_start: 0.8935 (m) cc_final: 0.8682 (t)
REVERT: 8  211 GLU cc_start: 0.8613 (mt-10) cc_final: 0.8314 (mt-10)
REVERT: 8  219 MET cc_start: 0.9107 (mmm) cc_final: 0.8879 (mmp)
REVERT: 8  228 GLN cc_start: 0.6287 (OUTLIER) cc_final: 0.5671 (mt0)
REVERT: 9  196 GLN cc_start: 0.8619 (mt0) cc_final: 0.8292 (mt0)
REVERT: 9  219 MET cc_start: 0.9121 (mmm) cc_final: 0.8774 (mmp)
REVERT: a  105 GLU cc_start: 0.8610 (mm-30) cc_final: 0.8376 (mm-30)
REVERT: a  144 LYS cc_start: 0.8841 (mtmm) cc_final: 0.8458 (mtmm)
REVERT: b   74 ARG cc_start: 0.8688 (OUTLIER) cc_final: 0.8378 (ttm170)
REVERT: b  105 GLU cc_start: 0.8370 (mm-30) cc_final: 0.8111 (mm-30)
REVERT: b  194 MET cc_start: 0.8601 (tpp) cc_final: 0.8354 (tpp)
REVERT: b  211 GLU cc_start: 0.8407 (mt-10) cc_final: 0.8135 (mt-10)
REVERT: b  228 GLN cc_start: 0.5956 (OUTLIER) cc_final: 0.5722 (mt0)
REVERT: c  105 GLU cc_start: 0.8384 (OUTLIER) cc_final: 0.7904 (mp0)
REVERT: c  131 GLU cc_start: 0.8303 (mp0) cc_final: 0.7984 (mm-30)
REVERT: c  167 ASN cc_start: 0.8489 (m110) cc_final: 0.8107 (m110)
REVERT: c  175 SER cc_start: 0.8938 (m) cc_final: 0.8674 (t)
REVERT: c  194 MET cc_start: 0.8857 (tpp) cc_final: 0.8272 (tpt)
REVERT: c  211 GLU cc_start: 0.8590 (mt-10) cc_final: 0.8299 (mt-10)
REVERT: c  228 GLN cc_start: 0.6264 (OUTLIER) cc_final: 0.5656 (mt0)
REVERT: d  175 SER cc_start: 0.8838 (m) cc_final: 0.8482 (t)
REVERT: e  175 SER cc_start: 0.8827 (m) cc_final: 0.8479 (t)
REVERT: f  175 SER cc_start: 0.8826 (m) cc_final: 0.8474 (t)
REVERT: g  175 SER cc_start: 0.8822 (m) cc_final: 0.8475 (t)
REVERT: h   74 ARG cc_start: 0.8684 (OUTLIER) cc_final: 0.8367 (ttm170)
REVERT: h  105 GLU cc_start: 0.8377 (mm-30) cc_final: 0.8118 (mm-30)
REVERT: h  194 MET cc_start: 0.8612 (tpp) cc_final: 0.8369 (tpp)
REVERT: h  211 GLU cc_start: 0.8403 (mt-10) cc_final: 0.8126 (mt-10)
REVERT: h  228 GLN cc_start: 0.5980 (OUTLIER) cc_final: 0.5746 (mt0)
REVERT: i  105 GLU cc_start: 0.8623 (mm-30) cc_final: 0.8391 (mm-30)
REVERT: i  144 LYS cc_start: 0.8842 (mtmm) cc_final: 0.8449 (mtmm)
REVERT: j  105 GLU cc_start: 0.8611 (mm-30) cc_final: 0.8380 (mm-30)
REVERT: j  144 LYS cc_start: 0.8845 (mtmm) cc_final: 0.8460 (mtmm)
REVERT: k   74 ARG cc_start: 0.8682 (OUTLIER) cc_final: 0.8376 (ttm170)
REVERT: k  105 GLU cc_start: 0.8377 (mm-30) cc_final: 0.8114 (mm-30)
REVERT: k  194 MET cc_start: 0.8605 (tpp) cc_final: 0.8346 (tpp)
REVERT: k  211 GLU cc_start: 0.8411 (mt-10) cc_final: 0.8139 (mt-10)
REVERT: k  228 GLN cc_start: 0.5951 (OUTLIER) cc_final: 0.5713 (mt0)
REVERT: l   74 ARG cc_start: 0.8683 (OUTLIER) cc_final: 0.8368 (ttm170)
REVERT: l  105 GLU cc_start: 0.8350 (mm-30) cc_final: 0.8089 (mm-30)
REVERT: l  194 MET cc_start: 0.8597 (tpp) cc_final: 0.8353 (tpp)
REVERT: l  211 GLU cc_start: 0.8407 (mt-10) cc_final: 0.8127 (mt-10)
REVERT: l  228 GLN cc_start: 0.5956 (OUTLIER) cc_final: 0.5722 (mt0)
REVERT: m  105 GLU cc_start: 0.8624 (mm-30) cc_final: 0.8395 (mm-30)
REVERT: m  144 LYS cc_start: 0.8848 (mtmm) cc_final: 0.8460 (mtmm)
REVERT: n  175 SER cc_start: 0.8823 (m) cc_final: 0.8476 (t)
REVERT: o  105 GLU cc_start: 0.8395 (OUTLIER) cc_final: 0.7920 (mp0)
REVERT: o  131 GLU cc_start: 0.8305 (mp0) cc_final: 0.7983 (mm-30)
REVERT: o  167 ASN cc_start: 0.8490 (m110) cc_final: 0.8109 (m110)
REVERT: o  175 SER cc_start: 0.8929 (m) cc_final: 0.8665 (t)
REVERT: o  194 MET cc_start: 0.8847 (tpp) cc_final: 0.8255 (tpt)
REVERT: o  211 GLU cc_start: 0.8603 (mt-10) cc_final: 0.8305 (mt-10)
REVERT: o  219 MET cc_start: 0.9103 (mmm) cc_final: 0.8874 (mmp)
REVERT: o  228 GLN cc_start: 0.6292 (OUTLIER) cc_final: 0.5679 (mt0)
REVERT: p  196 GLN cc_start: 0.8641 (mt0) cc_final: 0.8313 (mt0)
REVERT: p  219 MET cc_start: 0.9112 (mmm) cc_final: 0.8836 (mmp)
REVERT: q  105 GLU cc_start: 0.8398 (OUTLIER) cc_final: 0.7918 (mp0)
REVERT: q  131 GLU cc_start: 0.8305 (mp0) cc_final: 0.7977 (mm-30)
REVERT: q  167 ASN cc_start: 0.8506 (m110) cc_final: 0.8119 (m110)
REVERT: q  175 SER cc_start: 0.8918 (m) cc_final: 0.8654 (t)
REVERT: q  194 MET cc_start: 0.8851 (tpp) cc_final: 0.8258 (tpt)
REVERT: q  211 GLU cc_start: 0.8612 (mt-10) cc_final: 0.8319 (mt-10)
REVERT: q  228 GLN cc_start: 0.6277 (OUTLIER) cc_final: 0.5667 (mt0)
REVERT: r  196 GLN cc_start: 0.8642 (mt0) cc_final: 0.8311 (mt0)
REVERT: r  219 MET cc_start: 0.9124 (mmm) cc_final: 0.8845 (mmp)
REVERT: s  175 SER cc_start: 0.8835 (m) cc_final: 0.8478 (t)
REVERT: t  175 SER cc_start: 0.8829 (m) cc_final: 0.8475 (t)
REVERT: u   74 ARG cc_start: 0.8693 (OUTLIER) cc_final: 0.8384 (ttm170)
REVERT: u  105 GLU cc_start: 0.8377 (mm-30) cc_final: 0.8121 (mm-30)
REVERT: u  194 MET cc_start: 0.8605 (tpp) cc_final: 0.8343 (tpp)
REVERT: u  211 GLU cc_start: 0.8419 (mt-10) cc_final: 0.8138 (mt-10)
REVERT: u  228 GLN cc_start: 0.5961 (OUTLIER) cc_final: 0.5730 (mt0)
REVERT: v  105 GLU cc_start: 0.8603 (mm-30) cc_final: 0.8374 (mm-30)
REVERT: v  144 LYS cc_start: 0.8844 (mtmm) cc_final: 0.8453 (mtmm)
REVERT: w  105 GLU cc_start: 0.8385 (OUTLIER) cc_final: 0.7908 (mp0)
REVERT: w  131 GLU cc_start: 0.8306 (mp0) cc_final: 0.7979 (mm-30)
REVERT: w  167 ASN cc_start: 0.8504 (m110) cc_final: 0.8119 (m110)
REVERT: w  175 SER cc_start: 0.8934 (m) cc_final: 0.8674 (t)
REVERT: w  194 MET cc_start: 0.8846 (tpp) cc_final: 0.8250 (tpt)
REVERT: w  211 GLU cc_start: 0.8611 (mt-10) cc_final: 0.8307 (mt-10)
REVERT: w  219 MET cc_start: 0.9113 (mmm) cc_final: 0.8883 (mmp)
REVERT: w  228 GLN cc_start: 0.6262 (OUTLIER) cc_final: 0.5641 (mt0)
REVERT: x  196 GLN cc_start: 0.8647 (mt0) cc_final: 0.8315 (mt0)
REVERT: x  219 MET cc_start: 0.9126 (mmm) cc_final: 0.8850 (mmp)
  outliers start: 277
  outliers final: 139
  residues processed: 2047
  average time/residue: 1.8220
  time to fit residues: 4666.5135
Evaluate side-chains
  1992 residues out of total 7140 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 187
    poor density    : 1805
  time to evaluate  : 5.799 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   92 VAL
Chi-restraints excluded: chain B residue   74 ARG
Chi-restraints excluded: chain B residue  112 LYS
Chi-restraints excluded: chain B residue  159 THR
Chi-restraints excluded: chain B residue  228 GLN
Chi-restraints excluded: chain C residue  159 THR
Chi-restraints excluded: chain C residue  193 ASP
Chi-restraints excluded: chain D residue  159 THR
Chi-restraints excluded: chain D residue  193 ASP
Chi-restraints excluded: chain E residue   92 VAL
Chi-restraints excluded: chain E residue  105 GLU
Chi-restraints excluded: chain E residue  112 LYS
Chi-restraints excluded: chain E residue  228 GLN
Chi-restraints excluded: chain F residue   92 VAL
Chi-restraints excluded: chain F residue  171 SER
Chi-restraints excluded: chain F residue  178 LEU
Chi-restraints excluded: chain F residue  193 ASP
Chi-restraints excluded: chain G residue   74 ARG
Chi-restraints excluded: chain G residue  112 LYS
Chi-restraints excluded: chain G residue  159 THR
Chi-restraints excluded: chain G residue  228 GLN
Chi-restraints excluded: chain H residue   92 VAL
Chi-restraints excluded: chain H residue  105 GLU
Chi-restraints excluded: chain H residue  112 LYS
Chi-restraints excluded: chain H residue  228 GLN
Chi-restraints excluded: chain I residue   74 ARG
Chi-restraints excluded: chain I residue  112 LYS
Chi-restraints excluded: chain I residue  159 THR
Chi-restraints excluded: chain I residue  228 GLN
Chi-restraints excluded: chain J residue   77 THR
Chi-restraints excluded: chain J residue  159 THR
Chi-restraints excluded: chain J residue  193 ASP
Chi-restraints excluded: chain K residue   92 VAL
Chi-restraints excluded: chain K residue  171 SER
Chi-restraints excluded: chain K residue  178 LEU
Chi-restraints excluded: chain K residue  193 ASP
Chi-restraints excluded: chain L residue   92 VAL
Chi-restraints excluded: chain L residue  105 GLU
Chi-restraints excluded: chain L residue  112 LYS
Chi-restraints excluded: chain L residue  228 GLN
Chi-restraints excluded: chain M residue   92 VAL
Chi-restraints excluded: chain M residue  171 SER
Chi-restraints excluded: chain M residue  178 LEU
Chi-restraints excluded: chain M residue  193 ASP
Chi-restraints excluded: chain N residue   92 VAL
Chi-restraints excluded: chain N residue  105 GLU
Chi-restraints excluded: chain N residue  112 LYS
Chi-restraints excluded: chain N residue  228 GLN
Chi-restraints excluded: chain O residue   92 VAL
Chi-restraints excluded: chain O residue  171 SER
Chi-restraints excluded: chain O residue  178 LEU
Chi-restraints excluded: chain O residue  193 ASP
Chi-restraints excluded: chain P residue   74 ARG
Chi-restraints excluded: chain P residue  112 LYS
Chi-restraints excluded: chain P residue  159 THR
Chi-restraints excluded: chain P residue  228 GLN
Chi-restraints excluded: chain Q residue   92 VAL
Chi-restraints excluded: chain Q residue  171 SER
Chi-restraints excluded: chain Q residue  178 LEU
Chi-restraints excluded: chain Q residue  193 ASP
Chi-restraints excluded: chain R residue   92 VAL
Chi-restraints excluded: chain R residue  105 GLU
Chi-restraints excluded: chain R residue  112 LYS
Chi-restraints excluded: chain R residue  228 GLN
Chi-restraints excluded: chain S residue   77 THR
Chi-restraints excluded: chain S residue  159 THR
Chi-restraints excluded: chain S residue  193 ASP
Chi-restraints excluded: chain T residue  159 THR
Chi-restraints excluded: chain T residue  193 ASP
Chi-restraints excluded: chain U residue   92 VAL
Chi-restraints excluded: chain U residue  171 SER
Chi-restraints excluded: chain U residue  178 LEU
Chi-restraints excluded: chain U residue  193 ASP
Chi-restraints excluded: chain V residue   92 VAL
Chi-restraints excluded: chain V residue  105 GLU
Chi-restraints excluded: chain V residue  112 LYS
Chi-restraints excluded: chain V residue  228 GLN
Chi-restraints excluded: chain W residue   74 ARG
Chi-restraints excluded: chain W residue  112 LYS
Chi-restraints excluded: chain W residue  159 THR
Chi-restraints excluded: chain W residue  228 GLN
Chi-restraints excluded: chain X residue   74 ARG
Chi-restraints excluded: chain X residue  112 LYS
Chi-restraints excluded: chain X residue  159 THR
Chi-restraints excluded: chain X residue  228 GLN
Chi-restraints excluded: chain Y residue  159 THR
Chi-restraints excluded: chain Y residue  193 ASP
Chi-restraints excluded: chain Z residue   92 VAL
Chi-restraints excluded: chain 0 residue   92 VAL
Chi-restraints excluded: chain 1 residue   92 VAL
Chi-restraints excluded: chain 2 residue   92 VAL
Chi-restraints excluded: chain 3 residue   92 VAL
Chi-restraints excluded: chain 3 residue  171 SER
Chi-restraints excluded: chain 3 residue  178 LEU
Chi-restraints excluded: chain 3 residue  193 ASP
Chi-restraints excluded: chain 4 residue   74 ARG
Chi-restraints excluded: chain 4 residue  112 LYS
Chi-restraints excluded: chain 4 residue  159 THR
Chi-restraints excluded: chain 4 residue  228 GLN
Chi-restraints excluded: chain 5 residue   77 THR
Chi-restraints excluded: chain 5 residue  159 THR
Chi-restraints excluded: chain 5 residue  193 ASP
Chi-restraints excluded: chain 6 residue   92 VAL
Chi-restraints excluded: chain 6 residue  105 GLU
Chi-restraints excluded: chain 6 residue  112 LYS
Chi-restraints excluded: chain 6 residue  228 GLN
Chi-restraints excluded: chain 7 residue   92 VAL
Chi-restraints excluded: chain 7 residue  171 SER
Chi-restraints excluded: chain 7 residue  178 LEU
Chi-restraints excluded: chain 7 residue  193 ASP
Chi-restraints excluded: chain 8 residue   92 VAL
Chi-restraints excluded: chain 8 residue  105 GLU
Chi-restraints excluded: chain 8 residue  112 LYS
Chi-restraints excluded: chain 8 residue  228 GLN
Chi-restraints excluded: chain 9 residue   92 VAL
Chi-restraints excluded: chain 9 residue  171 SER
Chi-restraints excluded: chain 9 residue  178 LEU
Chi-restraints excluded: chain 9 residue  193 ASP
Chi-restraints excluded: chain a residue   77 THR
Chi-restraints excluded: chain a residue  159 THR
Chi-restraints excluded: chain a residue  193 ASP
Chi-restraints excluded: chain b residue   74 ARG
Chi-restraints excluded: chain b residue  112 LYS
Chi-restraints excluded: chain b residue  159 THR
Chi-restraints excluded: chain b residue  228 GLN
Chi-restraints excluded: chain c residue   92 VAL
Chi-restraints excluded: chain c residue  105 GLU
Chi-restraints excluded: chain c residue  112 LYS
Chi-restraints excluded: chain c residue  228 GLN
Chi-restraints excluded: chain d residue   92 VAL
Chi-restraints excluded: chain e residue   92 VAL
Chi-restraints excluded: chain f residue   92 VAL
Chi-restraints excluded: chain g residue   92 VAL
Chi-restraints excluded: chain h residue   74 ARG
Chi-restraints excluded: chain h residue  112 LYS
Chi-restraints excluded: chain h residue  159 THR
Chi-restraints excluded: chain h residue  228 GLN
Chi-restraints excluded: chain i residue   77 THR
Chi-restraints excluded: chain i residue  159 THR
Chi-restraints excluded: chain i residue  193 ASP
Chi-restraints excluded: chain j residue  159 THR
Chi-restraints excluded: chain j residue  193 ASP
Chi-restraints excluded: chain k residue   74 ARG
Chi-restraints excluded: chain k residue  112 LYS
Chi-restraints excluded: chain k residue  159 THR
Chi-restraints excluded: chain k residue  228 GLN
Chi-restraints excluded: chain l residue   74 ARG
Chi-restraints excluded: chain l residue  112 LYS
Chi-restraints excluded: chain l residue  159 THR
Chi-restraints excluded: chain l residue  228 GLN
Chi-restraints excluded: chain m residue   77 THR
Chi-restraints excluded: chain m residue  159 THR
Chi-restraints excluded: chain m residue  193 ASP
Chi-restraints excluded: chain n residue   92 VAL
Chi-restraints excluded: chain o residue   92 VAL
Chi-restraints excluded: chain o residue  105 GLU
Chi-restraints excluded: chain o residue  112 LYS
Chi-restraints excluded: chain o residue  228 GLN
Chi-restraints excluded: chain p residue   92 VAL
Chi-restraints excluded: chain p residue  171 SER
Chi-restraints excluded: chain p residue  178 LEU
Chi-restraints excluded: chain p residue  193 ASP
Chi-restraints excluded: chain q residue   92 VAL
Chi-restraints excluded: chain q residue  105 GLU
Chi-restraints excluded: chain q residue  112 LYS
Chi-restraints excluded: chain q residue  228 GLN
Chi-restraints excluded: chain r residue   92 VAL
Chi-restraints excluded: chain r residue  171 SER
Chi-restraints excluded: chain r residue  178 LEU
Chi-restraints excluded: chain r residue  193 ASP
Chi-restraints excluded: chain s residue   92 VAL
Chi-restraints excluded: chain t residue   92 VAL
Chi-restraints excluded: chain u residue   74 ARG
Chi-restraints excluded: chain u residue  112 LYS
Chi-restraints excluded: chain u residue  159 THR
Chi-restraints excluded: chain u residue  228 GLN
Chi-restraints excluded: chain v residue   77 THR
Chi-restraints excluded: chain v residue  159 THR
Chi-restraints excluded: chain v residue  193 ASP
Chi-restraints excluded: chain w residue   92 VAL
Chi-restraints excluded: chain w residue  105 GLU
Chi-restraints excluded: chain w residue  112 LYS
Chi-restraints excluded: chain w residue  228 GLN
Chi-restraints excluded: chain x residue   92 VAL
Chi-restraints excluded: chain x residue  171 SER
Chi-restraints excluded: chain x residue  178 LEU
Chi-restraints excluded: chain x residue  193 ASP
Rotamers are restrained with sigma=4.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 900
   random chunks:
   chunk 551 optimal weight:    0.0670
   chunk 211 optimal weight:    6.9990
   chunk 576 optimal weight:    1.9990
   chunk 289 optimal weight:    1.9990
   chunk 386 optimal weight:    0.9980
   chunk 814 optimal weight:    6.9990
   chunk 110 optimal weight:    7.9990
   chunk 338 optimal weight:    8.9990
   chunk 705 optimal weight:    9.9990
   chunk 175 optimal weight:    6.9990
   chunk 27 optimal weight:    8.9990
   overall best weight:    2.4124

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

Flipped N/Q/H residues before XYZ refinement:
A 196 GLN
E 196 GLN
H 196 GLN
L 196 GLN
N 196 GLN
R 196 GLN
V 196 GLN
Z 196 GLN
0 196 GLN
1 196 GLN
2 196 GLN
6 196 GLN
8 196 GLN
c 196 GLN
d 167 ASN
d 196 GLN
e 196 GLN
f 196 GLN
g 167 ASN
g 196 GLN
n 196 GLN
o 196 GLN
q 196 GLN
s 196 GLN
t 196 GLN
w 196 GLN

Total number of N/Q/H flips: 26

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3212 r_free = 0.3212 target = 0.113343 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 36)----------------|
| r_work = 0.2933 r_free = 0.2933 target = 0.093481 restraints weight = 74520.866|
|-----------------------------------------------------------------------------|
r_work (start): 0.2928 rms_B_bonded: 1.51
r_work: 0.2786 rms_B_bonded: 2.10 restraints_weight: 0.5000
r_work: 0.2637 rms_B_bonded: 3.47 restraints_weight: 0.2500
r_work (final): 0.2637
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8583
moved from start:          0.2458

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.029  70560  Z= 0.277
  Angle     :  0.475   4.962  95640  Z= 0.259
  Chirality :  0.049   0.143  11220
  Planarity :  0.004   0.040  12480
  Dihedral  :  5.923  84.524  10236
  Min Nonbonded Distance : 2.580

Molprobity Statistics.
  All-atom Clashscore : 4.87
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  1.08 %
    Favored  : 98.92 %
  Rotamer:
    Outliers :  4.09 %
    Allowed  : 11.13 %
    Favored  : 84.78 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  0.87 (0.09), residues: 9300
  helix:  1.52 (0.08), residues: 4500
  sheet: -1.59 (0.10), residues: 2280
  loop :  1.39 (0.13), residues: 2520

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.004   0.001   TRP X 125 
 HIS   0.005   0.001   HIS q 146 
 PHE   0.009   0.002   PHE B 223 
 TYR   0.008   0.001   TYR g 114 
 ARG   0.002   0.000   ARG P 138 

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

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

  18600 Ramachandran restraints generated.
    9300 Oldfield, 0 Emsley, 9300 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  18600 Ramachandran restraints generated.
    9300 Oldfield, 0 Emsley, 9300 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  2090 residues out of total 7140 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 292
    poor density    : 1798
  time to evaluate  : 5.825 
Fit side-chains
REVERT: A  156 ARG cc_start: 0.7964 (mtp-110) cc_final: 0.7719 (mtm110)
REVERT: B   74 ARG cc_start: 0.8650 (OUTLIER) cc_final: 0.8333 (ttm170)
REVERT: B  112 LYS cc_start: 0.8803 (OUTLIER) cc_final: 0.8448 (tppt)
REVERT: B  193 ASP cc_start: 0.8132 (m-30) cc_final: 0.7798 (t0)
REVERT: B  194 MET cc_start: 0.8611 (tpp) cc_final: 0.8075 (tpp)
REVERT: B  211 GLU cc_start: 0.8498 (mt-10) cc_final: 0.8149 (mt-10)
REVERT: B  218 GLU cc_start: 0.8715 (tt0) cc_final: 0.8501 (tt0)
REVERT: B  228 GLN cc_start: 0.6019 (OUTLIER) cc_final: 0.5728 (mt0)
REVERT: C  105 GLU cc_start: 0.8599 (mm-30) cc_final: 0.8326 (mm-30)
REVERT: C  144 LYS cc_start: 0.8846 (mtmm) cc_final: 0.8440 (mtmm)
REVERT: C  192 GLU cc_start: 0.8886 (OUTLIER) cc_final: 0.8508 (mm-30)
REVERT: D  105 GLU cc_start: 0.8598 (mm-30) cc_final: 0.8324 (mm-30)
REVERT: D  144 LYS cc_start: 0.8848 (mtmm) cc_final: 0.8439 (mtmm)
REVERT: D  192 GLU cc_start: 0.8899 (OUTLIER) cc_final: 0.8529 (mm-30)
REVERT: E  105 GLU cc_start: 0.8411 (OUTLIER) cc_final: 0.7947 (mp0)
REVERT: E  131 GLU cc_start: 0.8529 (mp0) cc_final: 0.8145 (mm-30)
REVERT: E  167 ASN cc_start: 0.8483 (m110) cc_final: 0.8087 (m110)
REVERT: E  175 SER cc_start: 0.8807 (m) cc_final: 0.8588 (t)
REVERT: E  211 GLU cc_start: 0.8506 (mt-10) cc_final: 0.8207 (mt-10)
REVERT: F  105 GLU cc_start: 0.8357 (OUTLIER) cc_final: 0.8107 (mp0)
REVERT: F  131 GLU cc_start: 0.8608 (mp0) cc_final: 0.8197 (mp0)
REVERT: F  196 GLN cc_start: 0.8707 (mt0) cc_final: 0.8380 (mt0)
REVERT: F  219 MET cc_start: 0.9132 (mmm) cc_final: 0.8815 (mmp)
REVERT: G   74 ARG cc_start: 0.8650 (OUTLIER) cc_final: 0.8331 (ttm170)
REVERT: G  112 LYS cc_start: 0.8811 (OUTLIER) cc_final: 0.8357 (tptp)
REVERT: G  193 ASP cc_start: 0.8125 (m-30) cc_final: 0.7807 (t0)
REVERT: G  194 MET cc_start: 0.8645 (tpp) cc_final: 0.8088 (tpp)
REVERT: G  195 ASP cc_start: 0.7471 (t70) cc_final: 0.7051 (t70)
REVERT: G  211 GLU cc_start: 0.8504 (mt-10) cc_final: 0.8158 (mt-10)
REVERT: G  218 GLU cc_start: 0.8719 (tt0) cc_final: 0.8485 (tt0)
REVERT: G  228 GLN cc_start: 0.6010 (OUTLIER) cc_final: 0.5717 (mt0)
REVERT: H  105 GLU cc_start: 0.8424 (OUTLIER) cc_final: 0.7968 (mp0)
REVERT: H  131 GLU cc_start: 0.8543 (mp0) cc_final: 0.8163 (mm-30)
REVERT: H  167 ASN cc_start: 0.8488 (m110) cc_final: 0.8083 (m110)
REVERT: H  175 SER cc_start: 0.8802 (m) cc_final: 0.8580 (t)
REVERT: H  211 GLU cc_start: 0.8530 (mt-10) cc_final: 0.8241 (mt-10)
REVERT: I   74 ARG cc_start: 0.8626 (OUTLIER) cc_final: 0.8307 (ttm170)
REVERT: I  112 LYS cc_start: 0.8825 (OUTLIER) cc_final: 0.8378 (tptp)
REVERT: I  193 ASP cc_start: 0.8129 (m-30) cc_final: 0.7808 (t0)
REVERT: I  194 MET cc_start: 0.8612 (tpp) cc_final: 0.8071 (tpp)
REVERT: I  211 GLU cc_start: 0.8416 (mt-10) cc_final: 0.8161 (mt-10)
REVERT: I  228 GLN cc_start: 0.6018 (OUTLIER) cc_final: 0.5732 (mt0)
REVERT: J  105 GLU cc_start: 0.8597 (mm-30) cc_final: 0.8329 (mm-30)
REVERT: J  144 LYS cc_start: 0.8837 (mtmm) cc_final: 0.8435 (mtmm)
REVERT: J  192 GLU cc_start: 0.8880 (OUTLIER) cc_final: 0.8509 (mm-30)
REVERT: K  105 GLU cc_start: 0.8387 (OUTLIER) cc_final: 0.8151 (mp0)
REVERT: K  131 GLU cc_start: 0.8602 (mp0) cc_final: 0.8192 (mp0)
REVERT: K  196 GLN cc_start: 0.8694 (mt0) cc_final: 0.8370 (mt0)
REVERT: K  219 MET cc_start: 0.9138 (mmm) cc_final: 0.8781 (mmp)
REVERT: L  105 GLU cc_start: 0.8415 (OUTLIER) cc_final: 0.7958 (mp0)
REVERT: L  131 GLU cc_start: 0.8545 (mp0) cc_final: 0.8166 (mm-30)
REVERT: L  167 ASN cc_start: 0.8493 (m110) cc_final: 0.8084 (m110)
REVERT: L  175 SER cc_start: 0.8814 (m) cc_final: 0.8597 (t)
REVERT: L  211 GLU cc_start: 0.8517 (mt-10) cc_final: 0.8209 (mt-10)
REVERT: L  219 MET cc_start: 0.9136 (mmm) cc_final: 0.8891 (mmp)
REVERT: M  105 GLU cc_start: 0.8363 (OUTLIER) cc_final: 0.8112 (mp0)
REVERT: M  131 GLU cc_start: 0.8640 (mp0) cc_final: 0.8336 (mp0)
REVERT: M  196 GLN cc_start: 0.8700 (mt0) cc_final: 0.8372 (mt0)
REVERT: M  219 MET cc_start: 0.9138 (mmm) cc_final: 0.8777 (mmp)
REVERT: N  105 GLU cc_start: 0.8440 (OUTLIER) cc_final: 0.7978 (mp0)
REVERT: N  131 GLU cc_start: 0.8536 (mp0) cc_final: 0.8156 (mm-30)
REVERT: N  167 ASN cc_start: 0.8510 (m110) cc_final: 0.8114 (m110)
REVERT: N  175 SER cc_start: 0.8816 (m) cc_final: 0.8597 (t)
REVERT: N  211 GLU cc_start: 0.8510 (mt-10) cc_final: 0.8215 (mt-10)
REVERT: O  105 GLU cc_start: 0.8371 (OUTLIER) cc_final: 0.8136 (mp0)
REVERT: O  131 GLU cc_start: 0.8611 (mp0) cc_final: 0.8201 (mp0)
REVERT: O  196 GLN cc_start: 0.8705 (mt0) cc_final: 0.8381 (mt0)
REVERT: O  219 MET cc_start: 0.9136 (mmm) cc_final: 0.8781 (mmp)
REVERT: P   74 ARG cc_start: 0.8650 (OUTLIER) cc_final: 0.8331 (ttm170)
REVERT: P  112 LYS cc_start: 0.8812 (OUTLIER) cc_final: 0.8454 (tppt)
REVERT: P  193 ASP cc_start: 0.8108 (m-30) cc_final: 0.7802 (t0)
REVERT: P  194 MET cc_start: 0.8626 (tpp) cc_final: 0.8077 (tpp)
REVERT: P  195 ASP cc_start: 0.7471 (t70) cc_final: 0.7058 (t70)
REVERT: P  211 GLU cc_start: 0.8486 (mt-10) cc_final: 0.8133 (mt-10)
REVERT: P  218 GLU cc_start: 0.8719 (tt0) cc_final: 0.8503 (tt0)
REVERT: P  228 GLN cc_start: 0.6010 (OUTLIER) cc_final: 0.5718 (mt0)
REVERT: Q  105 GLU cc_start: 0.8378 (OUTLIER) cc_final: 0.8143 (mp0)
REVERT: Q  131 GLU cc_start: 0.8622 (mp0) cc_final: 0.8217 (mp0)
REVERT: Q  196 GLN cc_start: 0.8697 (mt0) cc_final: 0.8371 (mt0)
REVERT: Q  219 MET cc_start: 0.9134 (mmm) cc_final: 0.8776 (mmp)
REVERT: R  105 GLU cc_start: 0.8376 (OUTLIER) cc_final: 0.7959 (mp0)
REVERT: R  131 GLU cc_start: 0.8526 (mp0) cc_final: 0.8147 (mm-30)
REVERT: R  167 ASN cc_start: 0.8492 (m110) cc_final: 0.8094 (m110)
REVERT: R  175 SER cc_start: 0.8803 (m) cc_final: 0.8582 (t)
REVERT: R  211 GLU cc_start: 0.8501 (mt-10) cc_final: 0.8190 (mt-10)
REVERT: R  219 MET cc_start: 0.9152 (mmm) cc_final: 0.8909 (mmp)
REVERT: S  105 GLU cc_start: 0.8610 (mm-30) cc_final: 0.8338 (mm-30)
REVERT: S  144 LYS cc_start: 0.8855 (mtmm) cc_final: 0.8450 (mtmm)
REVERT: S  192 GLU cc_start: 0.8894 (OUTLIER) cc_final: 0.8516 (mm-30)
REVERT: T  105 GLU cc_start: 0.8592 (mm-30) cc_final: 0.8319 (mm-30)
REVERT: T  144 LYS cc_start: 0.8860 (mtmm) cc_final: 0.8452 (mtmm)
REVERT: T  192 GLU cc_start: 0.8902 (OUTLIER) cc_final: 0.8536 (mm-30)
REVERT: U  105 GLU cc_start: 0.8366 (OUTLIER) cc_final: 0.8128 (mp0)
REVERT: U  131 GLU cc_start: 0.8600 (mp0) cc_final: 0.8194 (mp0)
REVERT: U  196 GLN cc_start: 0.8702 (mt0) cc_final: 0.8377 (mt0)
REVERT: U  219 MET cc_start: 0.9128 (mmm) cc_final: 0.8766 (mmp)
REVERT: V  105 GLU cc_start: 0.8398 (OUTLIER) cc_final: 0.7984 (mp0)
REVERT: V  131 GLU cc_start: 0.8546 (mp0) cc_final: 0.8171 (mm-30)
REVERT: V  167 ASN cc_start: 0.8510 (m110) cc_final: 0.8113 (m110)
REVERT: V  175 SER cc_start: 0.8812 (m) cc_final: 0.8588 (t)
REVERT: V  211 GLU cc_start: 0.8507 (mt-10) cc_final: 0.8209 (mt-10)
REVERT: W   74 ARG cc_start: 0.8652 (OUTLIER) cc_final: 0.8323 (ttm170)
REVERT: W  112 LYS cc_start: 0.8803 (OUTLIER) cc_final: 0.8447 (tppt)
REVERT: W  193 ASP cc_start: 0.8108 (m-30) cc_final: 0.7798 (t0)
REVERT: W  194 MET cc_start: 0.8618 (tpp) cc_final: 0.8074 (tpp)
REVERT: W  195 ASP cc_start: 0.7493 (t70) cc_final: 0.7083 (t70)
REVERT: W  211 GLU cc_start: 0.8501 (mt-10) cc_final: 0.8149 (mt-10)
REVERT: W  218 GLU cc_start: 0.8720 (tt0) cc_final: 0.8506 (tt0)
REVERT: W  228 GLN cc_start: 0.6006 (OUTLIER) cc_final: 0.5717 (mt0)
REVERT: X   74 ARG cc_start: 0.8656 (OUTLIER) cc_final: 0.8339 (ttm170)
REVERT: X  112 LYS cc_start: 0.8823 (OUTLIER) cc_final: 0.8472 (tppt)
REVERT: X  193 ASP cc_start: 0.8120 (m-30) cc_final: 0.7789 (t0)
REVERT: X  194 MET cc_start: 0.8613 (tpp) cc_final: 0.8069 (tpp)
REVERT: X  195 ASP cc_start: 0.7492 (t70) cc_final: 0.7078 (t70)
REVERT: X  211 GLU cc_start: 0.8500 (mt-10) cc_final: 0.8153 (mt-10)
REVERT: X  218 GLU cc_start: 0.8707 (tt0) cc_final: 0.8491 (tt0)
REVERT: X  228 GLN cc_start: 0.6014 (OUTLIER) cc_final: 0.5724 (mt0)
REVERT: Y  105 GLU cc_start: 0.8598 (mm-30) cc_final: 0.8330 (mm-30)
REVERT: Y  144 LYS cc_start: 0.8833 (mtmm) cc_final: 0.8432 (mtmm)
REVERT: Y  192 GLU cc_start: 0.8873 (OUTLIER) cc_final: 0.8499 (mm-30)
REVERT: Z  156 ARG cc_start: 0.7969 (mtp-110) cc_final: 0.7729 (mtm110)
REVERT: 0  156 ARG cc_start: 0.7953 (mtp-110) cc_final: 0.7715 (mtm110)
REVERT: 1  156 ARG cc_start: 0.7951 (mtp-110) cc_final: 0.7712 (mtm110)
REVERT: 2  156 ARG cc_start: 0.7952 (mtp-110) cc_final: 0.7708 (mtm110)
REVERT: 3  105 GLU cc_start: 0.8383 (OUTLIER) cc_final: 0.8133 (mp0)
REVERT: 3  131 GLU cc_start: 0.8645 (mp0) cc_final: 0.8342 (mp0)
REVERT: 3  196 GLN cc_start: 0.8706 (mt0) cc_final: 0.8381 (mt0)
REVERT: 3  219 MET cc_start: 0.9150 (mmm) cc_final: 0.8796 (mmp)
REVERT: 4   74 ARG cc_start: 0.8628 (OUTLIER) cc_final: 0.8310 (ttm170)
REVERT: 4  112 LYS cc_start: 0.8835 (OUTLIER) cc_final: 0.8393 (tptp)
REVERT: 4  193 ASP cc_start: 0.8118 (m-30) cc_final: 0.7797 (t0)
REVERT: 4  194 MET cc_start: 0.8633 (tpp) cc_final: 0.8084 (tpp)
REVERT: 4  211 GLU cc_start: 0.8409 (mt-10) cc_final: 0.8159 (mt-10)
REVERT: 4  228 GLN cc_start: 0.6032 (OUTLIER) cc_final: 0.5738 (mt0)
REVERT: 5  105 GLU cc_start: 0.8599 (mm-30) cc_final: 0.8333 (mm-30)
REVERT: 5  144 LYS cc_start: 0.8841 (mtmm) cc_final: 0.8436 (mtmm)
REVERT: 5  192 GLU cc_start: 0.8873 (OUTLIER) cc_final: 0.8501 (mm-30)
REVERT: 6  105 GLU cc_start: 0.8415 (OUTLIER) cc_final: 0.7952 (mp0)
REVERT: 6  131 GLU cc_start: 0.8533 (mp0) cc_final: 0.8158 (mm-30)
REVERT: 6  167 ASN cc_start: 0.8490 (m110) cc_final: 0.8093 (m110)
REVERT: 6  175 SER cc_start: 0.8808 (m) cc_final: 0.8592 (t)
REVERT: 6  211 GLU cc_start: 0.8500 (mt-10) cc_final: 0.8197 (mt-10)
REVERT: 7  105 GLU cc_start: 0.8368 (OUTLIER) cc_final: 0.8118 (mp0)
REVERT: 7  131 GLU cc_start: 0.8639 (mp0) cc_final: 0.8335 (mp0)
REVERT: 7  196 GLN cc_start: 0.8716 (mt0) cc_final: 0.8390 (mt0)
REVERT: 7  219 MET cc_start: 0.9129 (mmm) cc_final: 0.8810 (mmp)
REVERT: 8  105 GLU cc_start: 0.8446 (OUTLIER) cc_final: 0.7993 (mp0)
REVERT: 8  131 GLU cc_start: 0.8536 (mp0) cc_final: 0.8157 (mm-30)
REVERT: 8  167 ASN cc_start: 0.8495 (m110) cc_final: 0.8097 (m110)
REVERT: 8  175 SER cc_start: 0.8819 (m) cc_final: 0.8604 (t)
REVERT: 8  211 GLU cc_start: 0.8508 (mt-10) cc_final: 0.8210 (mt-10)
REVERT: 8  219 MET cc_start: 0.9136 (mmm) cc_final: 0.8895 (mmp)
REVERT: 8  228 GLN cc_start: 0.6299 (OUTLIER) cc_final: 0.5683 (mt0)
REVERT: 9  105 GLU cc_start: 0.8371 (OUTLIER) cc_final: 0.8118 (mp0)
REVERT: 9  131 GLU cc_start: 0.8631 (mp0) cc_final: 0.8329 (mp0)
REVERT: 9  196 GLN cc_start: 0.8700 (mt0) cc_final: 0.8375 (mt0)
REVERT: 9  219 MET cc_start: 0.9142 (mmm) cc_final: 0.8781 (mmp)
REVERT: a  105 GLU cc_start: 0.8599 (mm-30) cc_final: 0.8327 (mm-30)
REVERT: a  144 LYS cc_start: 0.8858 (mtmm) cc_final: 0.8454 (mtmm)
REVERT: a  192 GLU cc_start: 0.8896 (OUTLIER) cc_final: 0.8522 (mm-30)
REVERT: b   74 ARG cc_start: 0.8630 (OUTLIER) cc_final: 0.8307 (ttm170)
REVERT: b  112 LYS cc_start: 0.8833 (OUTLIER) cc_final: 0.8388 (tptp)
REVERT: b  193 ASP cc_start: 0.8116 (m-30) cc_final: 0.7793 (t0)
REVERT: b  194 MET cc_start: 0.8622 (tpp) cc_final: 0.8075 (tpp)
REVERT: b  211 GLU cc_start: 0.8412 (mt-10) cc_final: 0.8161 (mt-10)
REVERT: b  228 GLN cc_start: 0.6014 (OUTLIER) cc_final: 0.5718 (mt0)
REVERT: c  105 GLU cc_start: 0.8399 (OUTLIER) cc_final: 0.7983 (mp0)
REVERT: c  131 GLU cc_start: 0.8540 (mp0) cc_final: 0.8168 (mm-30)
REVERT: c  167 ASN cc_start: 0.8484 (m110) cc_final: 0.8086 (m110)
REVERT: c  175 SER cc_start: 0.8817 (m) cc_final: 0.8593 (t)
REVERT: c  211 GLU cc_start: 0.8494 (mt-10) cc_final: 0.8204 (mt-10)
REVERT: d  156 ARG cc_start: 0.7973 (mtp-110) cc_final: 0.7729 (mtm110)
REVERT: e  156 ARG cc_start: 0.7957 (mtp-110) cc_final: 0.7722 (mtm110)
REVERT: f  156 ARG cc_start: 0.7968 (mtp-110) cc_final: 0.7726 (mtm110)
REVERT: g  156 ARG cc_start: 0.7964 (mtp-110) cc_final: 0.7722 (mtm110)
REVERT: h   74 ARG cc_start: 0.8618 (OUTLIER) cc_final: 0.8294 (ttm170)
REVERT: h  112 LYS cc_start: 0.8834 (OUTLIER) cc_final: 0.8384 (tptp)
REVERT: h  193 ASP cc_start: 0.8112 (m-30) cc_final: 0.7792 (t0)
REVERT: h  194 MET cc_start: 0.8629 (tpp) cc_final: 0.8084 (tpp)
REVERT: h  211 GLU cc_start: 0.8401 (mt-10) cc_final: 0.8146 (mt-10)
REVERT: h  228 GLN cc_start: 0.6013 (OUTLIER) cc_final: 0.5725 (mt0)
REVERT: i  105 GLU cc_start: 0.8597 (mm-30) cc_final: 0.8324 (mm-30)
REVERT: i  144 LYS cc_start: 0.8853 (mtmm) cc_final: 0.8442 (mtmm)
REVERT: i  192 GLU cc_start: 0.8897 (OUTLIER) cc_final: 0.8531 (mm-30)
REVERT: j  105 GLU cc_start: 0.8599 (mm-30) cc_final: 0.8325 (mm-30)
REVERT: j  144 LYS cc_start: 0.8855 (mtmm) cc_final: 0.8454 (mtmm)
REVERT: j  192 GLU cc_start: 0.8883 (OUTLIER) cc_final: 0.8510 (mm-30)
REVERT: k   74 ARG cc_start: 0.8628 (OUTLIER) cc_final: 0.8312 (ttm170)
REVERT: k  112 LYS cc_start: 0.8833 (OUTLIER) cc_final: 0.8391 (tptp)
REVERT: k  193 ASP cc_start: 0.8125 (m-30) cc_final: 0.7788 (t0)
REVERT: k  194 MET cc_start: 0.8635 (tpp) cc_final: 0.8079 (tpp)
REVERT: k  195 ASP cc_start: 0.7485 (t70) cc_final: 0.7071 (t70)
REVERT: k  211 GLU cc_start: 0.8411 (mt-10) cc_final: 0.8164 (mt-10)
REVERT: k  228 GLN cc_start: 0.6021 (OUTLIER) cc_final: 0.5731 (mt0)
REVERT: l   74 ARG cc_start: 0.8620 (OUTLIER) cc_final: 0.8302 (ttm170)
REVERT: l  112 LYS cc_start: 0.8828 (OUTLIER) cc_final: 0.8380 (tptp)
REVERT: l  193 ASP cc_start: 0.8113 (m-30) cc_final: 0.7805 (t0)
REVERT: l  194 MET cc_start: 0.8609 (tpp) cc_final: 0.8068 (tpp)
REVERT: l  211 GLU cc_start: 0.8396 (mt-10) cc_final: 0.8140 (mt-10)
REVERT: l  228 GLN cc_start: 0.6015 (OUTLIER) cc_final: 0.5723 (mt0)
REVERT: m  105 GLU cc_start: 0.8607 (mm-30) cc_final: 0.8335 (mm-30)
REVERT: m  144 LYS cc_start: 0.8857 (mtmm) cc_final: 0.8450 (mtmm)
REVERT: m  192 GLU cc_start: 0.8884 (OUTLIER) cc_final: 0.8515 (mm-30)
REVERT: n  156 ARG cc_start: 0.7944 (mtp-110) cc_final: 0.7711 (mtm110)
REVERT: o  105 GLU cc_start: 0.8404 (OUTLIER) cc_final: 0.7991 (mp0)
REVERT: o  131 GLU cc_start: 0.8538 (mp0) cc_final: 0.8164 (mm-30)
REVERT: o  167 ASN cc_start: 0.8486 (m110) cc_final: 0.8087 (m110)
REVERT: o  175 SER cc_start: 0.8813 (m) cc_final: 0.8590 (t)
REVERT: o  211 GLU cc_start: 0.8507 (mt-10) cc_final: 0.8206 (mt-10)
REVERT: o  219 MET cc_start: 0.9126 (mmm) cc_final: 0.8890 (mmp)
REVERT: o  228 GLN cc_start: 0.6281 (OUTLIER) cc_final: 0.5673 (mt0)
REVERT: p  105 GLU cc_start: 0.8372 (OUTLIER) cc_final: 0.8118 (mp0)
REVERT: p  131 GLU cc_start: 0.8642 (mp0) cc_final: 0.8341 (mp0)
REVERT: p  196 GLN cc_start: 0.8715 (mt0) cc_final: 0.8392 (mt0)
REVERT: p  219 MET cc_start: 0.9131 (mmm) cc_final: 0.8815 (mmp)
REVERT: q  105 GLU cc_start: 0.8394 (OUTLIER) cc_final: 0.7977 (mp0)
REVERT: q  131 GLU cc_start: 0.8549 (mp0) cc_final: 0.8177 (mm-30)
REVERT: q  167 ASN cc_start: 0.8506 (m110) cc_final: 0.8108 (m110)
REVERT: q  175 SER cc_start: 0.8811 (m) cc_final: 0.8590 (t)
REVERT: q  211 GLU cc_start: 0.8505 (mt-10) cc_final: 0.8209 (mt-10)
REVERT: r  105 GLU cc_start: 0.8360 (OUTLIER) cc_final: 0.8110 (mp0)
REVERT: r  131 GLU cc_start: 0.8639 (mp0) cc_final: 0.8336 (mp0)
REVERT: r  196 GLN cc_start: 0.8710 (mt0) cc_final: 0.8384 (mt0)
REVERT: r  219 MET cc_start: 0.9140 (mmm) cc_final: 0.8823 (mmp)
REVERT: s  156 ARG cc_start: 0.7968 (mtp-110) cc_final: 0.7723 (mtm110)
REVERT: t  156 ARG cc_start: 0.7956 (mtp-110) cc_final: 0.7717 (mtm110)
REVERT: u   74 ARG cc_start: 0.8628 (OUTLIER) cc_final: 0.8305 (ttm170)
REVERT: u  112 LYS cc_start: 0.8828 (OUTLIER) cc_final: 0.8385 (tptp)
REVERT: u  193 ASP cc_start: 0.8117 (m-30) cc_final: 0.7800 (t0)
REVERT: u  194 MET cc_start: 0.8626 (tpp) cc_final: 0.8078 (tpp)
REVERT: u  195 ASP cc_start: 0.7464 (t70) cc_final: 0.7049 (t70)
REVERT: u  211 GLU cc_start: 0.8411 (mt-10) cc_final: 0.8158 (mt-10)
REVERT: u  228 GLN cc_start: 0.6011 (OUTLIER) cc_final: 0.5728 (mt0)
REVERT: v  105 GLU cc_start: 0.8594 (mm-30) cc_final: 0.8320 (mm-30)
REVERT: v  144 LYS cc_start: 0.8857 (mtmm) cc_final: 0.8450 (mtmm)
REVERT: v  192 GLU cc_start: 0.8870 (OUTLIER) cc_final: 0.8502 (mm-30)
REVERT: w  105 GLU cc_start: 0.8392 (OUTLIER) cc_final: 0.7979 (mp0)
REVERT: w  131 GLU cc_start: 0.8540 (mp0) cc_final: 0.8168 (mm-30)
REVERT: w  167 ASN cc_start: 0.8500 (m110) cc_final: 0.8093 (m110)
REVERT: w  175 SER cc_start: 0.8806 (m) cc_final: 0.8585 (t)
REVERT: w  211 GLU cc_start: 0.8523 (mt-10) cc_final: 0.8222 (mt-10)
REVERT: w  219 MET cc_start: 0.9147 (mmm) cc_final: 0.8901 (mmp)
REVERT: x  105 GLU cc_start: 0.8373 (OUTLIER) cc_final: 0.8120 (mp0)
REVERT: x  131 GLU cc_start: 0.8649 (mp0) cc_final: 0.8345 (mp0)
REVERT: x  196 GLN cc_start: 0.8711 (mt0) cc_final: 0.8386 (mt0)
REVERT: x  219 MET cc_start: 0.9145 (mmm) cc_final: 0.8827 (mmp)
  outliers start: 292
  outliers final: 123
  residues processed: 1921
  average time/residue: 1.8657
  time to fit residues: 4463.5907
Evaluate side-chains
  1979 residues out of total 7140 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 197
    poor density    : 1782
  time to evaluate  : 5.859 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   92 VAL
Chi-restraints excluded: chain A residue  178 LEU
Chi-restraints excluded: chain B residue   74 ARG
Chi-restraints excluded: chain B residue  112 LYS
Chi-restraints excluded: chain B residue  159 THR
Chi-restraints excluded: chain B residue  228 GLN
Chi-restraints excluded: chain C residue   77 THR
Chi-restraints excluded: chain C residue  159 THR
Chi-restraints excluded: chain C residue  192 GLU
Chi-restraints excluded: chain D residue   77 THR
Chi-restraints excluded: chain D residue  159 THR
Chi-restraints excluded: chain D residue  192 GLU
Chi-restraints excluded: chain E residue   92 VAL
Chi-restraints excluded: chain E residue  105 GLU
Chi-restraints excluded: chain F residue  105 GLU
Chi-restraints excluded: chain F residue  171 SER
Chi-restraints excluded: chain F residue  178 LEU
Chi-restraints excluded: chain F residue  190 THR
Chi-restraints excluded: chain F residue  193 ASP
Chi-restraints excluded: chain F residue  224 GLU
Chi-restraints excluded: chain G residue   74 ARG
Chi-restraints excluded: chain G residue  112 LYS
Chi-restraints excluded: chain G residue  159 THR
Chi-restraints excluded: chain G residue  228 GLN
Chi-restraints excluded: chain H residue   92 VAL
Chi-restraints excluded: chain H residue  105 GLU
Chi-restraints excluded: chain I residue   74 ARG
Chi-restraints excluded: chain I residue  112 LYS
Chi-restraints excluded: chain I residue  159 THR
Chi-restraints excluded: chain I residue  228 GLN
Chi-restraints excluded: chain J residue  159 THR
Chi-restraints excluded: chain J residue  192 GLU
Chi-restraints excluded: chain K residue  105 GLU
Chi-restraints excluded: chain K residue  171 SER
Chi-restraints excluded: chain K residue  178 LEU
Chi-restraints excluded: chain K residue  190 THR
Chi-restraints excluded: chain K residue  193 ASP
Chi-restraints excluded: chain K residue  224 GLU
Chi-restraints excluded: chain L residue   92 VAL
Chi-restraints excluded: chain L residue  105 GLU
Chi-restraints excluded: chain M residue  105 GLU
Chi-restraints excluded: chain M residue  171 SER
Chi-restraints excluded: chain M residue  178 LEU
Chi-restraints excluded: chain M residue  190 THR
Chi-restraints excluded: chain M residue  193 ASP
Chi-restraints excluded: chain M residue  224 GLU
Chi-restraints excluded: chain N residue   92 VAL
Chi-restraints excluded: chain N residue  105 GLU
Chi-restraints excluded: chain O residue  105 GLU
Chi-restraints excluded: chain O residue  171 SER
Chi-restraints excluded: chain O residue  178 LEU
Chi-restraints excluded: chain O residue  190 THR
Chi-restraints excluded: chain O residue  193 ASP
Chi-restraints excluded: chain P residue   74 ARG
Chi-restraints excluded: chain P residue  112 LYS
Chi-restraints excluded: chain P residue  159 THR
Chi-restraints excluded: chain P residue  228 GLN
Chi-restraints excluded: chain Q residue  105 GLU
Chi-restraints excluded: chain Q residue  171 SER
Chi-restraints excluded: chain Q residue  178 LEU
Chi-restraints excluded: chain Q residue  190 THR
Chi-restraints excluded: chain Q residue  193 ASP
Chi-restraints excluded: chain R residue   92 VAL
Chi-restraints excluded: chain R residue  105 GLU
Chi-restraints excluded: chain S residue  159 THR
Chi-restraints excluded: chain S residue  192 GLU
Chi-restraints excluded: chain T residue   77 THR
Chi-restraints excluded: chain T residue  159 THR
Chi-restraints excluded: chain T residue  192 GLU
Chi-restraints excluded: chain U residue  105 GLU
Chi-restraints excluded: chain U residue  171 SER
Chi-restraints excluded: chain U residue  178 LEU
Chi-restraints excluded: chain U residue  190 THR
Chi-restraints excluded: chain U residue  193 ASP
Chi-restraints excluded: chain U residue  224 GLU
Chi-restraints excluded: chain V residue   92 VAL
Chi-restraints excluded: chain V residue  105 GLU
Chi-restraints excluded: chain W residue   74 ARG
Chi-restraints excluded: chain W residue  112 LYS
Chi-restraints excluded: chain W residue  159 THR
Chi-restraints excluded: chain W residue  228 GLN
Chi-restraints excluded: chain X residue   74 ARG
Chi-restraints excluded: chain X residue  112 LYS
Chi-restraints excluded: chain X residue  159 THR
Chi-restraints excluded: chain X residue  228 GLN
Chi-restraints excluded: chain Y residue   77 THR
Chi-restraints excluded: chain Y residue  159 THR
Chi-restraints excluded: chain Y residue  192 GLU
Chi-restraints excluded: chain Z residue   92 VAL
Chi-restraints excluded: chain Z residue  178 LEU
Chi-restraints excluded: chain 0 residue   92 VAL
Chi-restraints excluded: chain 0 residue  178 LEU
Chi-restraints excluded: chain 1 residue   92 VAL
Chi-restraints excluded: chain 1 residue  178 LEU
Chi-restraints excluded: chain 2 residue   92 VAL
Chi-restraints excluded: chain 2 residue  178 LEU
Chi-restraints excluded: chain 3 residue  105 GLU
Chi-restraints excluded: chain 3 residue  171 SER
Chi-restraints excluded: chain 3 residue  178 LEU
Chi-restraints excluded: chain 3 residue  190 THR
Chi-restraints excluded: chain 3 residue  193 ASP
Chi-restraints excluded: chain 3 residue  224 GLU
Chi-restraints excluded: chain 4 residue   74 ARG
Chi-restraints excluded: chain 4 residue  112 LYS
Chi-restraints excluded: chain 4 residue  159 THR
Chi-restraints excluded: chain 4 residue  228 GLN
Chi-restraints excluded: chain 5 residue  159 THR
Chi-restraints excluded: chain 5 residue  192 GLU
Chi-restraints excluded: chain 6 residue   92 VAL
Chi-restraints excluded: chain 6 residue  105 GLU
Chi-restraints excluded: chain 7 residue  105 GLU
Chi-restraints excluded: chain 7 residue  171 SER
Chi-restraints excluded: chain 7 residue  178 LEU
Chi-restraints excluded: chain 7 residue  190 THR
Chi-restraints excluded: chain 7 residue  193 ASP
Chi-restraints excluded: chain 7 residue  224 GLU
Chi-restraints excluded: chain 8 residue   92 VAL
Chi-restraints excluded: chain 8 residue  105 GLU
Chi-restraints excluded: chain 8 residue  228 GLN
Chi-restraints excluded: chain 9 residue  105 GLU
Chi-restraints excluded: chain 9 residue  171 SER
Chi-restraints excluded: chain 9 residue  178 LEU
Chi-restraints excluded: chain 9 residue  190 THR
Chi-restraints excluded: chain 9 residue  193 ASP
Chi-restraints excluded: chain 9 residue  224 GLU
Chi-restraints excluded: chain a residue  159 THR
Chi-restraints excluded: chain a residue  192 GLU
Chi-restraints excluded: chain b residue   74 ARG
Chi-restraints excluded: chain b residue  112 LYS
Chi-restraints excluded: chain b residue  159 THR
Chi-restraints excluded: chain b residue  228 GLN
Chi-restraints excluded: chain c residue   92 VAL
Chi-restraints excluded: chain c residue  105 GLU
Chi-restraints excluded: chain d residue   92 VAL
Chi-restraints excluded: chain d residue  178 LEU
Chi-restraints excluded: chain e residue   92 VAL
Chi-restraints excluded: chain e residue  178 LEU
Chi-restraints excluded: chain f residue   92 VAL
Chi-restraints excluded: chain f residue  178 LEU
Chi-restraints excluded: chain g residue   92 VAL
Chi-restraints excluded: chain g residue  178 LEU
Chi-restraints excluded: chain h residue   74 ARG
Chi-restraints excluded: chain h residue  112 LYS
Chi-restraints excluded: chain h residue  159 THR
Chi-restraints excluded: chain h residue  228 GLN
Chi-restraints excluded: chain i residue  159 THR
Chi-restraints excluded: chain i residue  192 GLU
Chi-restraints excluded: chain j residue   77 THR
Chi-restraints excluded: chain j residue  159 THR
Chi-restraints excluded: chain j residue  192 GLU
Chi-restraints excluded: chain k residue   74 ARG
Chi-restraints excluded: chain k residue  112 LYS
Chi-restraints excluded: chain k residue  159 THR
Chi-restraints excluded: chain k residue  228 GLN
Chi-restraints excluded: chain l residue   74 ARG
Chi-restraints excluded: chain l residue  112 LYS
Chi-restraints excluded: chain l residue  159 THR
Chi-restraints excluded: chain l residue  228 GLN
Chi-restraints excluded: chain m residue  159 THR
Chi-restraints excluded: chain m residue  192 GLU
Chi-restraints excluded: chain n residue   92 VAL
Chi-restraints excluded: chain n residue  178 LEU
Chi-restraints excluded: chain o residue   92 VAL
Chi-restraints excluded: chain o residue  105 GLU
Chi-restraints excluded: chain o residue  228 GLN
Chi-restraints excluded: chain p residue  105 GLU
Chi-restraints excluded: chain p residue  171 SER
Chi-restraints excluded: chain p residue  178 LEU
Chi-restraints excluded: chain p residue  190 THR
Chi-restraints excluded: chain p residue  193 ASP
Chi-restraints excluded: chain p residue  224 GLU
Chi-restraints excluded: chain q residue   92 VAL
Chi-restraints excluded: chain q residue  105 GLU
Chi-restraints excluded: chain r residue  105 GLU
Chi-restraints excluded: chain r residue  171 SER
Chi-restraints excluded: chain r residue  178 LEU
Chi-restraints excluded: chain r residue  190 THR
Chi-restraints excluded: chain r residue  193 ASP
Chi-restraints excluded: chain r residue  224 GLU
Chi-restraints excluded: chain s residue   92 VAL
Chi-restraints excluded: chain s residue  178 LEU
Chi-restraints excluded: chain t residue   92 VAL
Chi-restraints excluded: chain t residue  178 LEU
Chi-restraints excluded: chain u residue   74 ARG
Chi-restraints excluded: chain u residue  112 LYS
Chi-restraints excluded: chain u residue  159 THR
Chi-restraints excluded: chain u residue  228 GLN
Chi-restraints excluded: chain v residue  159 THR
Chi-restraints excluded: chain v residue  192 GLU
Chi-restraints excluded: chain w residue   92 VAL
Chi-restraints excluded: chain w residue  105 GLU
Chi-restraints excluded: chain x residue  105 GLU
Chi-restraints excluded: chain x residue  171 SER
Chi-restraints excluded: chain x residue  178 LEU
Chi-restraints excluded: chain x residue  190 THR
Chi-restraints excluded: chain x residue  193 ASP
Chi-restraints excluded: chain x residue  224 GLU
Rotamers are restrained with sigma=4.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 900
   random chunks:
   chunk 332 optimal weight:    2.9990
   chunk 863 optimal weight:   10.0000
   chunk 237 optimal weight:    1.9990
   chunk 414 optimal weight:    9.9990
   chunk 777 optimal weight:    7.9990
   chunk 476 optimal weight:    0.4980
   chunk 881 optimal weight:    5.9990
   chunk 24 optimal weight:    6.9990
   chunk 215 optimal weight:    3.9990
   chunk 475 optimal weight:    0.8980
   chunk 210 optimal weight:   10.0000
   overall best weight:    2.0786

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

Flipped N/Q/H residues before XYZ refinement:
A 196 GLN
E 161 HIS
E 179 ASN
H 161 HIS
H 179 ASN
L 179 ASN
N 161 HIS
N 179 ASN
R 161 HIS
R 179 ASN
R 196 GLN
V 161 HIS
V 179 ASN
V 196 GLN
Z 167 ASN
Z 196 GLN
0 167 ASN
0 196 GLN
1 167 ASN
1 196 GLN
2 196 GLN
6 161 HIS
6 179 ASN
8 161 HIS
8 179 ASN
c 161 HIS
c 179 ASN
c 196 GLN
d 196 GLN
e 167 ASN
e 196 GLN
f 167 ASN
f 196 GLN
g 196 GLN
n 196 GLN
o 161 HIS
o 179 ASN
o 196 GLN
q 161 HIS
q 179 ASN
q 196 GLN
s 196 GLN
t 167 ASN
t 196 GLN
w 161 HIS
w 179 ASN
w 196 GLN

Total number of N/Q/H flips: 47

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3220 r_free = 0.3220 target = 0.113848 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 37)----------------|
| r_work = 0.2942 r_free = 0.2942 target = 0.093963 restraints weight = 76323.123|
|-----------------------------------------------------------------------------|
r_work (start): 0.2936 rms_B_bonded: 1.53
r_work: 0.2794 rms_B_bonded: 2.13 restraints_weight: 0.5000
r_work: 0.2645 rms_B_bonded: 3.53 restraints_weight: 0.2500
r_work (final): 0.2645
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8574
moved from start:          0.2582

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.028  70560  Z= 0.246
  Angle     :  0.451   4.901  95640  Z= 0.247
  Chirality :  0.048   0.139  11220
  Planarity :  0.004   0.038  12480
  Dihedral  :  5.169  85.790  10170
  Min Nonbonded Distance : 2.583

Molprobity Statistics.
  All-atom Clashscore : 5.06
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  1.10 %
    Favored  : 98.90 %
  Rotamer:
    Outliers :  3.92 %
    Allowed  : 12.30 %
    Favored  : 83.78 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  0.77 (0.09), residues: 9300
  helix:  1.51 (0.08), residues: 4500
  sheet: -1.77 (0.10), residues: 2280
  loop :  1.34 (0.13), residues: 2520

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.004   0.001   TRP G 125 
 HIS   0.004   0.001   HIS w 146 
 PHE   0.008   0.001   PHE V 186 
 TYR   0.008   0.001   TYR 0 114 
 ARG   0.003   0.000   ARG 7  94 

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

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

  18600 Ramachandran restraints generated.
    9300 Oldfield, 0 Emsley, 9300 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  18600 Ramachandran restraints generated.
    9300 Oldfield, 0 Emsley, 9300 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  2083 residues out of total 7140 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 280
    poor density    : 1803
  time to evaluate  : 6.199 
Fit side-chains
REVERT: B   74 ARG cc_start: 0.8691 (OUTLIER) cc_final: 0.8402 (ttm170)
REVERT: B  112 LYS cc_start: 0.8817 (OUTLIER) cc_final: 0.8352 (tptp)
REVERT: B  211 GLU cc_start: 0.8467 (mt-10) cc_final: 0.8121 (mt-10)
REVERT: B  218 GLU cc_start: 0.8712 (OUTLIER) cc_final: 0.8467 (tt0)
REVERT: B  228 GLN cc_start: 0.6020 (OUTLIER) cc_final: 0.5738 (mt0)
REVERT: C  144 LYS cc_start: 0.8849 (mtmm) cc_final: 0.8448 (mtmm)
REVERT: C  192 GLU cc_start: 0.8852 (OUTLIER) cc_final: 0.8387 (mm-30)
REVERT: D  144 LYS cc_start: 0.8856 (mtmm) cc_final: 0.8451 (mtmm)
REVERT: D  192 GLU cc_start: 0.8865 (OUTLIER) cc_final: 0.8417 (mm-30)
REVERT: E  105 GLU cc_start: 0.8387 (OUTLIER) cc_final: 0.7894 (mp0)
REVERT: E  131 GLU cc_start: 0.8565 (mp0) cc_final: 0.8143 (mm-30)
REVERT: E  167 ASN cc_start: 0.8489 (m110) cc_final: 0.8078 (m110)
REVERT: E  175 SER cc_start: 0.8848 (m) cc_final: 0.8564 (t)
REVERT: E  211 GLU cc_start: 0.8553 (mt-10) cc_final: 0.8249 (mt-10)
REVERT: F  105 GLU cc_start: 0.8370 (OUTLIER) cc_final: 0.8129 (mp0)
REVERT: F  112 LYS cc_start: 0.9085 (OUTLIER) cc_final: 0.8699 (tttm)
REVERT: F  131 GLU cc_start: 0.8646 (mp0) cc_final: 0.8296 (mp0)
REVERT: F  196 GLN cc_start: 0.8680 (mt0) cc_final: 0.8364 (mt0)
REVERT: F  219 MET cc_start: 0.9132 (mmm) cc_final: 0.8833 (mmp)
REVERT: G   74 ARG cc_start: 0.8698 (OUTLIER) cc_final: 0.8412 (ttm170)
REVERT: G  112 LYS cc_start: 0.8815 (OUTLIER) cc_final: 0.8352 (tptp)
REVERT: G  211 GLU cc_start: 0.8467 (mt-10) cc_final: 0.8128 (mt-10)
REVERT: G  218 GLU cc_start: 0.8721 (OUTLIER) cc_final: 0.8473 (tt0)
REVERT: G  228 GLN cc_start: 0.6016 (OUTLIER) cc_final: 0.5733 (mt0)
REVERT: H  105 GLU cc_start: 0.8398 (OUTLIER) cc_final: 0.7913 (mp0)
REVERT: H  131 GLU cc_start: 0.8590 (mp0) cc_final: 0.8165 (mm-30)
REVERT: H  167 ASN cc_start: 0.8498 (m110) cc_final: 0.8079 (m110)
REVERT: H  175 SER cc_start: 0.8837 (m) cc_final: 0.8559 (t)
REVERT: H  211 GLU cc_start: 0.8577 (mt-10) cc_final: 0.8283 (mt-10)
REVERT: I   74 ARG cc_start: 0.8604 (OUTLIER) cc_final: 0.8321 (ttm170)
REVERT: I  112 LYS cc_start: 0.8793 (OUTLIER) cc_final: 0.8351 (tptp)
REVERT: I  211 GLU cc_start: 0.8418 (mt-10) cc_final: 0.8096 (mt-10)
REVERT: I  228 GLN cc_start: 0.6018 (OUTLIER) cc_final: 0.5747 (mt0)
REVERT: J  144 LYS cc_start: 0.8840 (mtmm) cc_final: 0.8445 (mtmm)
REVERT: J  192 GLU cc_start: 0.8857 (OUTLIER) cc_final: 0.8393 (mm-30)
REVERT: K  105 GLU cc_start: 0.8381 (OUTLIER) cc_final: 0.8141 (mp0)
REVERT: K  112 LYS cc_start: 0.9100 (OUTLIER) cc_final: 0.8718 (tttm)
REVERT: K  131 GLU cc_start: 0.8642 (mp0) cc_final: 0.8293 (mp0)
REVERT: K  196 GLN cc_start: 0.8675 (mt0) cc_final: 0.8354 (mt0)
REVERT: K  219 MET cc_start: 0.9203 (mmm) cc_final: 0.8975 (mmp)
REVERT: L  105 GLU cc_start: 0.8398 (OUTLIER) cc_final: 0.7914 (mp0)
REVERT: L  131 GLU cc_start: 0.8591 (mp0) cc_final: 0.8164 (mm-30)
REVERT: L  167 ASN cc_start: 0.8503 (m110) cc_final: 0.8083 (m110)
REVERT: L  175 SER cc_start: 0.8845 (m) cc_final: 0.8589 (t)
REVERT: L  211 GLU cc_start: 0.8529 (mt-10) cc_final: 0.8229 (mt-10)
REVERT: L  219 MET cc_start: 0.9119 (mmm) cc_final: 0.8909 (mmp)
REVERT: M  105 GLU cc_start: 0.8372 (OUTLIER) cc_final: 0.8129 (mp0)
REVERT: M  112 LYS cc_start: 0.9090 (OUTLIER) cc_final: 0.8703 (tttm)
REVERT: M  131 GLU cc_start: 0.8759 (mp0) cc_final: 0.8454 (mp0)
REVERT: M  196 GLN cc_start: 0.8683 (mt0) cc_final: 0.8368 (mt0)
REVERT: M  219 MET cc_start: 0.9204 (mmm) cc_final: 0.8974 (mmp)
REVERT: N  105 GLU cc_start: 0.8413 (OUTLIER) cc_final: 0.7921 (mp0)
REVERT: N  131 GLU cc_start: 0.8586 (mp0) cc_final: 0.8164 (mm-30)
REVERT: N  167 ASN cc_start: 0.8510 (m110) cc_final: 0.8103 (m110)
REVERT: N  175 SER cc_start: 0.8846 (m) cc_final: 0.8563 (t)
REVERT: N  211 GLU cc_start: 0.8570 (mt-10) cc_final: 0.8271 (mt-10)
REVERT: O  105 GLU cc_start: 0.8383 (OUTLIER) cc_final: 0.8140 (mp0)
REVERT: O  112 LYS cc_start: 0.9090 (OUTLIER) cc_final: 0.8707 (tttm)
REVERT: O  131 GLU cc_start: 0.8643 (mp0) cc_final: 0.8300 (mp0)
REVERT: O  196 GLN cc_start: 0.8684 (mt0) cc_final: 0.8368 (mt0)
REVERT: O  219 MET cc_start: 0.9202 (mmm) cc_final: 0.8974 (mmp)
REVERT: P   74 ARG cc_start: 0.8696 (OUTLIER) cc_final: 0.8406 (ttm170)
REVERT: P  112 LYS cc_start: 0.8817 (OUTLIER) cc_final: 0.8354 (tptp)
REVERT: P  211 GLU cc_start: 0.8445 (mt-10) cc_final: 0.8094 (mt-10)
REVERT: P  218 GLU cc_start: 0.8720 (OUTLIER) cc_final: 0.8471 (tt0)
REVERT: P  228 GLN cc_start: 0.6022 (OUTLIER) cc_final: 0.5743 (mt0)
REVERT: Q  105 GLU cc_start: 0.8387 (OUTLIER) cc_final: 0.8147 (mp0)
REVERT: Q  112 LYS cc_start: 0.9096 (OUTLIER) cc_final: 0.8720 (tttm)
REVERT: Q  131 GLU cc_start: 0.8653 (mp0) cc_final: 0.8313 (mp0)
REVERT: Q  196 GLN cc_start: 0.8685 (mt0) cc_final: 0.8372 (mt0)
REVERT: Q  219 MET cc_start: 0.9204 (mmm) cc_final: 0.8977 (mmp)
REVERT: R  105 GLU cc_start: 0.8391 (OUTLIER) cc_final: 0.7951 (mp0)
REVERT: R  131 GLU cc_start: 0.8586 (mp0) cc_final: 0.8163 (mm-30)
REVERT: R  167 ASN cc_start: 0.8493 (m110) cc_final: 0.8082 (m110)
REVERT: R  175 SER cc_start: 0.8843 (m) cc_final: 0.8579 (t)
REVERT: R  211 GLU cc_start: 0.8496 (mt-10) cc_final: 0.8180 (mt-10)
REVERT: R  219 MET cc_start: 0.9125 (mmm) cc_final: 0.8916 (mmp)
REVERT: S  144 LYS cc_start: 0.8856 (mtmm) cc_final: 0.8453 (mtmm)
REVERT: S  192 GLU cc_start: 0.8859 (OUTLIER) cc_final: 0.8407 (mm-30)
REVERT: T  144 LYS cc_start: 0.8863 (mtmm) cc_final: 0.8459 (mtmm)
REVERT: T  192 GLU cc_start: 0.8874 (OUTLIER) cc_final: 0.8431 (mm-30)
REVERT: U  105 GLU cc_start: 0.8371 (OUTLIER) cc_final: 0.8130 (mp0)
REVERT: U  112 LYS cc_start: 0.9090 (OUTLIER) cc_final: 0.8710 (tttm)
REVERT: U  131 GLU cc_start: 0.8639 (mp0) cc_final: 0.8294 (mp0)
REVERT: U  196 GLN cc_start: 0.8679 (mt0) cc_final: 0.8359 (mt0)
REVERT: U  219 MET cc_start: 0.9198 (mmm) cc_final: 0.8969 (mmp)
REVERT: V  105 GLU cc_start: 0.8405 (OUTLIER) cc_final: 0.7962 (mp0)
REVERT: V  131 GLU cc_start: 0.8583 (mp0) cc_final: 0.8160 (mm-30)
REVERT: V  167 ASN cc_start: 0.8503 (m110) cc_final: 0.8093 (m110)
REVERT: V  175 SER cc_start: 0.8845 (m) cc_final: 0.8560 (t)
REVERT: V  211 GLU cc_start: 0.8562 (mt-10) cc_final: 0.8260 (mt-10)
REVERT: W   74 ARG cc_start: 0.8695 (OUTLIER) cc_final: 0.8399 (ttm170)
REVERT: W  112 LYS cc_start: 0.8816 (OUTLIER) cc_final: 0.8355 (tptp)
REVERT: W  211 GLU cc_start: 0.8464 (mt-10) cc_final: 0.8118 (mt-10)
REVERT: W  218 GLU cc_start: 0.8715 (OUTLIER) cc_final: 0.8467 (tt0)
REVERT: W  228 GLN cc_start: 0.6001 (OUTLIER) cc_final: 0.5728 (mt0)
REVERT: X   74 ARG cc_start: 0.8693 (OUTLIER) cc_final: 0.8405 (ttm170)
REVERT: X  112 LYS cc_start: 0.8830 (OUTLIER) cc_final: 0.8370 (tptp)
REVERT: X  211 GLU cc_start: 0.8479 (mt-10) cc_final: 0.8138 (mt-10)
REVERT: X  218 GLU cc_start: 0.8710 (OUTLIER) cc_final: 0.8463 (tt0)
REVERT: X  228 GLN cc_start: 0.6011 (OUTLIER) cc_final: 0.5736 (mt0)
REVERT: Y  144 LYS cc_start: 0.8834 (mtmm) cc_final: 0.8437 (mtmm)
REVERT: Y  192 GLU cc_start: 0.8843 (OUTLIER) cc_final: 0.8377 (mm-30)
REVERT: 3  105 GLU cc_start: 0.8377 (OUTLIER) cc_final: 0.8140 (mp0)
REVERT: 3  112 LYS cc_start: 0.9100 (OUTLIER) cc_final: 0.8721 (tttm)
REVERT: 3  131 GLU cc_start: 0.8752 (mp0) cc_final: 0.8447 (mp0)
REVERT: 3  196 GLN cc_start: 0.8692 (mt0) cc_final: 0.8374 (mt0)
REVERT: 3  219 MET cc_start: 0.9214 (mmm) cc_final: 0.8988 (mmp)
REVERT: 4   74 ARG cc_start: 0.8610 (OUTLIER) cc_final: 0.8329 (ttm170)
REVERT: 4  112 LYS cc_start: 0.8808 (OUTLIER) cc_final: 0.8369 (tptp)
REVERT: 4  211 GLU cc_start: 0.8406 (mt-10) cc_final: 0.8084 (mt-10)
REVERT: 4  228 GLN cc_start: 0.6029 (OUTLIER) cc_final: 0.5758 (mt0)
REVERT: 5  144 LYS cc_start: 0.8843 (mtmm) cc_final: 0.8446 (mtmm)
REVERT: 5  192 GLU cc_start: 0.8843 (OUTLIER) cc_final: 0.8375 (mm-30)
REVERT: 6  105 GLU cc_start: 0.8398 (OUTLIER) cc_final: 0.7903 (mp0)
REVERT: 6  131 GLU cc_start: 0.8582 (mp0) cc_final: 0.8156 (mm-30)
REVERT: 6  167 ASN cc_start: 0.8494 (m110) cc_final: 0.8083 (m110)
REVERT: 6  175 SER cc_start: 0.8843 (m) cc_final: 0.8559 (t)
REVERT: 6  211 GLU cc_start: 0.8548 (mt-10) cc_final: 0.8241 (mt-10)
REVERT: 7  105 GLU cc_start: 0.8369 (OUTLIER) cc_final: 0.8131 (mp0)
REVERT: 7  112 LYS cc_start: 0.9096 (OUTLIER) cc_final: 0.8717 (tttm)
REVERT: 7  131 GLU cc_start: 0.8748 (mp0) cc_final: 0.8445 (mp0)
REVERT: 7  196 GLN cc_start: 0.8702 (mt0) cc_final: 0.8388 (mt0)
REVERT: 7  219 MET cc_start: 0.9132 (mmm) cc_final: 0.8834 (mmp)
REVERT: 8  105 GLU cc_start: 0.8420 (OUTLIER) cc_final: 0.7937 (mp0)
REVERT: 8  131 GLU cc_start: 0.8576 (mp0) cc_final: 0.8153 (mm-30)
REVERT: 8  167 ASN cc_start: 0.8495 (m110) cc_final: 0.8083 (m110)
REVERT: 8  175 SER cc_start: 0.8856 (m) cc_final: 0.8593 (t)
REVERT: 8  211 GLU cc_start: 0.8510 (mt-10) cc_final: 0.8208 (mt-10)
REVERT: 8  219 MET cc_start: 0.9118 (mmm) cc_final: 0.8914 (mmp)
REVERT: 9  105 GLU cc_start: 0.8368 (OUTLIER) cc_final: 0.8127 (mp0)
REVERT: 9  112 LYS cc_start: 0.9092 (OUTLIER) cc_final: 0.8711 (tttm)
REVERT: 9  131 GLU cc_start: 0.8755 (mp0) cc_final: 0.8477 (mp0)
REVERT: 9  196 GLN cc_start: 0.8682 (mt0) cc_final: 0.8364 (mt0)
REVERT: 9  219 MET cc_start: 0.9211 (mmm) cc_final: 0.8982 (mmp)
REVERT: a  144 LYS cc_start: 0.8855 (mtmm) cc_final: 0.8456 (mtmm)
REVERT: a  192 GLU cc_start: 0.8860 (OUTLIER) cc_final: 0.8453 (mm-30)
REVERT: b   74 ARG cc_start: 0.8611 (OUTLIER) cc_final: 0.8323 (ttm170)
REVERT: b  112 LYS cc_start: 0.8800 (OUTLIER) cc_final: 0.8360 (tptp)
REVERT: b  211 GLU cc_start: 0.8407 (mt-10) cc_final: 0.8085 (mt-10)
REVERT: b  228 GLN cc_start: 0.6010 (OUTLIER) cc_final: 0.5736 (mt0)
REVERT: c  105 GLU cc_start: 0.8402 (OUTLIER) cc_final: 0.7956 (mp0)
REVERT: c  131 GLU cc_start: 0.8581 (mp0) cc_final: 0.8153 (mm-30)
REVERT: c  167 ASN cc_start: 0.8485 (m110) cc_final: 0.8071 (m110)
REVERT: c  175 SER cc_start: 0.8859 (m) cc_final: 0.8572 (t)
REVERT: c  211 GLU cc_start: 0.8541 (mt-10) cc_final: 0.8243 (mt-10)
REVERT: h   74 ARG cc_start: 0.8593 (OUTLIER) cc_final: 0.8299 (ttm170)
REVERT: h  112 LYS cc_start: 0.8802 (OUTLIER) cc_final: 0.8353 (tptp)
REVERT: h  211 GLU cc_start: 0.8406 (mt-10) cc_final: 0.8081 (mt-10)
REVERT: h  228 GLN cc_start: 0.6013 (OUTLIER) cc_final: 0.5743 (mt0)
REVERT: i  144 LYS cc_start: 0.8863 (mtmm) cc_final: 0.8460 (mtmm)
REVERT: i  192 GLU cc_start: 0.8870 (OUTLIER) cc_final: 0.8414 (mm-30)
REVERT: j  144 LYS cc_start: 0.8849 (mtmm) cc_final: 0.8451 (mtmm)
REVERT: j  192 GLU cc_start: 0.8853 (OUTLIER) cc_final: 0.8403 (mm-30)
REVERT: k   74 ARG cc_start: 0.8607 (OUTLIER) cc_final: 0.8326 (ttm170)
REVERT: k  112 LYS cc_start: 0.8798 (OUTLIER) cc_final: 0.8363 (tptp)
REVERT: k  211 GLU cc_start: 0.8406 (mt-10) cc_final: 0.8087 (mt-10)
REVERT: k  228 GLN cc_start: 0.6024 (OUTLIER) cc_final: 0.5746 (mt0)
REVERT: l   74 ARG cc_start: 0.8594 (OUTLIER) cc_final: 0.8304 (ttm170)
REVERT: l  112 LYS cc_start: 0.8810 (OUTLIER) cc_final: 0.8372 (tptp)
REVERT: l  211 GLU cc_start: 0.8387 (mt-10) cc_final: 0.8053 (mt-10)
REVERT: l  228 GLN cc_start: 0.6019 (OUTLIER) cc_final: 0.5737 (mt0)
REVERT: m  144 LYS cc_start: 0.8853 (mtmm) cc_final: 0.8452 (mtmm)
REVERT: m  192 GLU cc_start: 0.8853 (OUTLIER) cc_final: 0.8403 (mm-30)
REVERT: o  105 GLU cc_start: 0.8412 (OUTLIER) cc_final: 0.7972 (mp0)
REVERT: o  131 GLU cc_start: 0.8578 (mp0) cc_final: 0.8149 (mm-30)
REVERT: o  167 ASN cc_start: 0.8485 (m110) cc_final: 0.8066 (m110)
REVERT: o  175 SER cc_start: 0.8845 (m) cc_final: 0.8571 (t)
REVERT: o  211 GLU cc_start: 0.8496 (mt-10) cc_final: 0.8190 (mt-10)
REVERT: o  219 MET cc_start: 0.9109 (mmm) cc_final: 0.8904 (mmp)
REVERT: p  105 GLU cc_start: 0.8378 (OUTLIER) cc_final: 0.8137 (mp0)
REVERT: p  112 LYS cc_start: 0.9098 (OUTLIER) cc_final: 0.8718 (tttm)
REVERT: p  131 GLU cc_start: 0.8747 (mp0) cc_final: 0.8444 (mp0)
REVERT: p  196 GLN cc_start: 0.8689 (mt0) cc_final: 0.8375 (mt0)
REVERT: p  219 MET cc_start: 0.9140 (mmm) cc_final: 0.8847 (mmp)
REVERT: q  105 GLU cc_start: 0.8413 (OUTLIER) cc_final: 0.7967 (mp0)
REVERT: q  131 GLU cc_start: 0.8591 (mp0) cc_final: 0.8164 (mm-30)
REVERT: q  167 ASN cc_start: 0.8503 (m110) cc_final: 0.8089 (m110)
REVERT: q  175 SER cc_start: 0.8848 (m) cc_final: 0.8561 (t)
REVERT: q  211 GLU cc_start: 0.8564 (mt-10) cc_final: 0.8264 (mt-10)
REVERT: r  105 GLU cc_start: 0.8356 (OUTLIER) cc_final: 0.8116 (mp0)
REVERT: r  112 LYS cc_start: 0.9098 (OUTLIER) cc_final: 0.8710 (tttm)
REVERT: r  131 GLU cc_start: 0.8757 (mp0) cc_final: 0.8453 (mp0)
REVERT: r  196 GLN cc_start: 0.8691 (mt0) cc_final: 0.8375 (mt0)
REVERT: r  219 MET cc_start: 0.9143 (mmm) cc_final: 0.8848 (mmp)
REVERT: u   74 ARG cc_start: 0.8609 (OUTLIER) cc_final: 0.8318 (ttm170)
REVERT: u  112 LYS cc_start: 0.8794 (OUTLIER) cc_final: 0.8350 (tptp)
REVERT: u  211 GLU cc_start: 0.8415 (mt-10) cc_final: 0.8093 (mt-10)
REVERT: u  228 GLN cc_start: 0.6013 (OUTLIER) cc_final: 0.5743 (mt0)
REVERT: v  144 LYS cc_start: 0.8857 (mtmm) cc_final: 0.8457 (mtmm)
REVERT: v  192 GLU cc_start: 0.8850 (OUTLIER) cc_final: 0.8402 (mm-30)
REVERT: w  105 GLU cc_start: 0.8410 (OUTLIER) cc_final: 0.7971 (mp0)
REVERT: w  131 GLU cc_start: 0.8581 (mp0) cc_final: 0.8155 (mm-30)
REVERT: w  167 ASN cc_start: 0.8501 (m110) cc_final: 0.8077 (m110)
REVERT: w  175 SER cc_start: 0.8840 (m) cc_final: 0.8577 (t)
REVERT: w  211 GLU cc_start: 0.8518 (mt-10) cc_final: 0.8215 (mt-10)
REVERT: w  219 MET cc_start: 0.9132 (mmm) cc_final: 0.8925 (mmp)
REVERT: x  105 GLU cc_start: 0.8374 (OUTLIER) cc_final: 0.8135 (mp0)
REVERT: x  112 LYS cc_start: 0.9101 (OUTLIER) cc_final: 0.8725 (tttm)
REVERT: x  131 GLU cc_start: 0.8752 (mp0) cc_final: 0.8447 (mp0)
REVERT: x  196 GLN cc_start: 0.8697 (mt0) cc_final: 0.8385 (mt0)
REVERT: x  219 MET cc_start: 0.9144 (mmm) cc_final: 0.8849 (mmp)
  outliers start: 280
  outliers final: 115
  residues processed: 1921
  average time/residue: 1.8225
  time to fit residues: 4371.6614
Evaluate side-chains
  1963 residues out of total 7140 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 204
    poor density    : 1759
  time to evaluate  : 5.845 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   92 VAL
Chi-restraints excluded: chain B residue   74 ARG
Chi-restraints excluded: chain B residue  112 LYS
Chi-restraints excluded: chain B residue  178 LEU
Chi-restraints excluded: chain B residue  218 GLU
Chi-restraints excluded: chain B residue  228 GLN
Chi-restraints excluded: chain C residue   77 THR
Chi-restraints excluded: chain C residue  159 THR
Chi-restraints excluded: chain C residue  192 GLU
Chi-restraints excluded: chain D residue   77 THR
Chi-restraints excluded: chain D residue  159 THR
Chi-restraints excluded: chain D residue  192 GLU
Chi-restraints excluded: chain E residue  105 GLU
Chi-restraints excluded: chain E residue  112 LYS
Chi-restraints excluded: chain F residue   92 VAL
Chi-restraints excluded: chain F residue  105 GLU
Chi-restraints excluded: chain F residue  112 LYS
Chi-restraints excluded: chain F residue  171 SER
Chi-restraints excluded: chain F residue  178 LEU
Chi-restraints excluded: chain F residue  190 THR
Chi-restraints excluded: chain F residue  224 GLU
Chi-restraints excluded: chain G residue   74 ARG
Chi-restraints excluded: chain G residue  112 LYS
Chi-restraints excluded: chain G residue  178 LEU
Chi-restraints excluded: chain G residue  218 GLU
Chi-restraints excluded: chain G residue  228 GLN
Chi-restraints excluded: chain H residue  105 GLU
Chi-restraints excluded: chain H residue  112 LYS
Chi-restraints excluded: chain I residue   74 ARG
Chi-restraints excluded: chain I residue  112 LYS
Chi-restraints excluded: chain I residue  178 LEU
Chi-restraints excluded: chain I residue  228 GLN
Chi-restraints excluded: chain J residue   77 THR
Chi-restraints excluded: chain J residue  159 THR
Chi-restraints excluded: chain J residue  192 GLU
Chi-restraints excluded: chain K residue   92 VAL
Chi-restraints excluded: chain K residue  105 GLU
Chi-restraints excluded: chain K residue  112 LYS
Chi-restraints excluded: chain K residue  171 SER
Chi-restraints excluded: chain K residue  178 LEU
Chi-restraints excluded: chain K residue  190 THR
Chi-restraints excluded: chain K residue  224 GLU
Chi-restraints excluded: chain L residue  105 GLU
Chi-restraints excluded: chain L residue  112 LYS
Chi-restraints excluded: chain M residue   92 VAL
Chi-restraints excluded: chain M residue  105 GLU
Chi-restraints excluded: chain M residue  112 LYS
Chi-restraints excluded: chain M residue  171 SER
Chi-restraints excluded: chain M residue  178 LEU
Chi-restraints excluded: chain M residue  190 THR
Chi-restraints excluded: chain M residue  224 GLU
Chi-restraints excluded: chain N residue  105 GLU
Chi-restraints excluded: chain N residue  112 LYS
Chi-restraints excluded: chain O residue   92 VAL
Chi-restraints excluded: chain O residue  105 GLU
Chi-restraints excluded: chain O residue  112 LYS
Chi-restraints excluded: chain O residue  171 SER
Chi-restraints excluded: chain O residue  178 LEU
Chi-restraints excluded: chain O residue  190 THR
Chi-restraints excluded: chain P residue   74 ARG
Chi-restraints excluded: chain P residue  112 LYS
Chi-restraints excluded: chain P residue  178 LEU
Chi-restraints excluded: chain P residue  218 GLU
Chi-restraints excluded: chain P residue  228 GLN
Chi-restraints excluded: chain Q residue   92 VAL
Chi-restraints excluded: chain Q residue  105 GLU
Chi-restraints excluded: chain Q residue  112 LYS
Chi-restraints excluded: chain Q residue  171 SER
Chi-restraints excluded: chain Q residue  178 LEU
Chi-restraints excluded: chain Q residue  190 THR
Chi-restraints excluded: chain R residue  105 GLU
Chi-restraints excluded: chain R residue  112 LYS
Chi-restraints excluded: chain S residue   77 THR
Chi-restraints excluded: chain S residue  159 THR
Chi-restraints excluded: chain S residue  192 GLU
Chi-restraints excluded: chain T residue   77 THR
Chi-restraints excluded: chain T residue  159 THR
Chi-restraints excluded: chain T residue  192 GLU
Chi-restraints excluded: chain U residue   92 VAL
Chi-restraints excluded: chain U residue  105 GLU
Chi-restraints excluded: chain U residue  112 LYS
Chi-restraints excluded: chain U residue  171 SER
Chi-restraints excluded: chain U residue  178 LEU
Chi-restraints excluded: chain U residue  190 THR
Chi-restraints excluded: chain U residue  224 GLU
Chi-restraints excluded: chain V residue  105 GLU
Chi-restraints excluded: chain V residue  112 LYS
Chi-restraints excluded: chain W residue   74 ARG
Chi-restraints excluded: chain W residue  112 LYS
Chi-restraints excluded: chain W residue  178 LEU
Chi-restraints excluded: chain W residue  218 GLU
Chi-restraints excluded: chain W residue  228 GLN
Chi-restraints excluded: chain X residue   74 ARG
Chi-restraints excluded: chain X residue  112 LYS
Chi-restraints excluded: chain X residue  178 LEU
Chi-restraints excluded: chain X residue  218 GLU
Chi-restraints excluded: chain X residue  228 GLN
Chi-restraints excluded: chain Y residue   77 THR
Chi-restraints excluded: chain Y residue  159 THR
Chi-restraints excluded: chain Y residue  192 GLU
Chi-restraints excluded: chain Z residue   92 VAL
Chi-restraints excluded: chain 0 residue   92 VAL
Chi-restraints excluded: chain 1 residue   92 VAL
Chi-restraints excluded: chain 2 residue   92 VAL
Chi-restraints excluded: chain 3 residue   92 VAL
Chi-restraints excluded: chain 3 residue  105 GLU
Chi-restraints excluded: chain 3 residue  112 LYS
Chi-restraints excluded: chain 3 residue  178 LEU
Chi-restraints excluded: chain 3 residue  190 THR
Chi-restraints excluded: chain 3 residue  224 GLU
Chi-restraints excluded: chain 4 residue   74 ARG
Chi-restraints excluded: chain 4 residue  112 LYS
Chi-restraints excluded: chain 4 residue  178 LEU
Chi-restraints excluded: chain 4 residue  228 GLN
Chi-restraints excluded: chain 5 residue   77 THR
Chi-restraints excluded: chain 5 residue  159 THR
Chi-restraints excluded: chain 5 residue  192 GLU
Chi-restraints excluded: chain 6 residue  105 GLU
Chi-restraints excluded: chain 6 residue  112 LYS
Chi-restraints excluded: chain 7 residue   92 VAL
Chi-restraints excluded: chain 7 residue  105 GLU
Chi-restraints excluded: chain 7 residue  112 LYS
Chi-restraints excluded: chain 7 residue  178 LEU
Chi-restraints excluded: chain 7 residue  190 THR
Chi-restraints excluded: chain 7 residue  224 GLU
Chi-restraints excluded: chain 8 residue  105 GLU
Chi-restraints excluded: chain 8 residue  112 LYS
Chi-restraints excluded: chain 9 residue   92 VAL
Chi-restraints excluded: chain 9 residue  105 GLU
Chi-restraints excluded: chain 9 residue  112 LYS
Chi-restraints excluded: chain 9 residue  171 SER
Chi-restraints excluded: chain 9 residue  178 LEU
Chi-restraints excluded: chain 9 residue  190 THR
Chi-restraints excluded: chain 9 residue  224 GLU
Chi-restraints excluded: chain a residue   77 THR
Chi-restraints excluded: chain a residue  159 THR
Chi-restraints excluded: chain a residue  192 GLU
Chi-restraints excluded: chain b residue   74 ARG
Chi-restraints excluded: chain b residue  112 LYS
Chi-restraints excluded: chain b residue  178 LEU
Chi-restraints excluded: chain b residue  228 GLN
Chi-restraints excluded: chain c residue  105 GLU
Chi-restraints excluded: chain c residue  112 LYS
Chi-restraints excluded: chain d residue   92 VAL
Chi-restraints excluded: chain e residue   92 VAL
Chi-restraints excluded: chain f residue   92 VAL
Chi-restraints excluded: chain g residue   92 VAL
Chi-restraints excluded: chain h residue   74 ARG
Chi-restraints excluded: chain h residue  112 LYS
Chi-restraints excluded: chain h residue  178 LEU
Chi-restraints excluded: chain h residue  228 GLN
Chi-restraints excluded: chain i residue   77 THR
Chi-restraints excluded: chain i residue  159 THR
Chi-restraints excluded: chain i residue  192 GLU
Chi-restraints excluded: chain j residue   77 THR
Chi-restraints excluded: chain j residue  159 THR
Chi-restraints excluded: chain j residue  192 GLU
Chi-restraints excluded: chain k residue   74 ARG
Chi-restraints excluded: chain k residue  112 LYS
Chi-restraints excluded: chain k residue  178 LEU
Chi-restraints excluded: chain k residue  228 GLN
Chi-restraints excluded: chain l residue   74 ARG
Chi-restraints excluded: chain l residue  112 LYS
Chi-restraints excluded: chain l residue  178 LEU
Chi-restraints excluded: chain l residue  228 GLN
Chi-restraints excluded: chain m residue   77 THR
Chi-restraints excluded: chain m residue  159 THR
Chi-restraints excluded: chain m residue  192 GLU
Chi-restraints excluded: chain n residue   92 VAL
Chi-restraints excluded: chain o residue  105 GLU
Chi-restraints excluded: chain o residue  112 LYS
Chi-restraints excluded: chain p residue   92 VAL
Chi-restraints excluded: chain p residue  105 GLU
Chi-restraints excluded: chain p residue  112 LYS
Chi-restraints excluded: chain p residue  171 SER
Chi-restraints excluded: chain p residue  178 LEU
Chi-restraints excluded: chain p residue  190 THR
Chi-restraints excluded: chain p residue  224 GLU
Chi-restraints excluded: chain q residue  105 GLU
Chi-restraints excluded: chain q residue  112 LYS
Chi-restraints excluded: chain r residue   92 VAL
Chi-restraints excluded: chain r residue  105 GLU
Chi-restraints excluded: chain r residue  112 LYS
Chi-restraints excluded: chain r residue  171 SER
Chi-restraints excluded: chain r residue  178 LEU
Chi-restraints excluded: chain r residue  190 THR
Chi-restraints excluded: chain r residue  224 GLU
Chi-restraints excluded: chain s residue   92 VAL
Chi-restraints excluded: chain t residue   92 VAL
Chi-restraints excluded: chain u residue   74 ARG
Chi-restraints excluded: chain u residue  112 LYS
Chi-restraints excluded: chain u residue  178 LEU
Chi-restraints excluded: chain u residue  228 GLN
Chi-restraints excluded: chain v residue   77 THR
Chi-restraints excluded: chain v residue  159 THR
Chi-restraints excluded: chain v residue  192 GLU
Chi-restraints excluded: chain w residue  105 GLU
Chi-restraints excluded: chain w residue  112 LYS
Chi-restraints excluded: chain x residue   92 VAL
Chi-restraints excluded: chain x residue  105 GLU
Chi-restraints excluded: chain x residue  112 LYS
Chi-restraints excluded: chain x residue  178 LEU
Chi-restraints excluded: chain x residue  190 THR
Chi-restraints excluded: chain x residue  224 GLU
Rotamers are restrained with sigma=3.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 900
   random chunks:
   chunk 555 optimal weight:    8.9990
   chunk 409 optimal weight:    5.9990
   chunk 887 optimal weight:    3.9990
   chunk 230 optimal weight:    8.9990
   chunk 257 optimal weight:    6.9990
   chunk 490 optimal weight:    2.9990
   chunk 214 optimal weight:    3.9990
   chunk 76 optimal weight:    6.9990
   chunk 828 optimal weight:    0.6980
   chunk 166 optimal weight:    5.9990
   chunk 308 optimal weight:    0.1980
   overall best weight:    2.3786

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

Flipped N/Q/H residues before XYZ refinement:
E 179 ASN
E 196 GLN
H 179 ASN
H 196 GLN
L 161 HIS
L 179 ASN
L 196 GLN
N 179 ASN
N 196 GLN
R 179 ASN
V 179 ASN
6 179 ASN
6 196 GLN
8 179 ASN
8 196 GLN
c 179 ASN
o 179 ASN
q 179 ASN
s 167 ASN
w 179 ASN

Total number of N/Q/H flips: 20

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3215 r_free = 0.3215 target = 0.113387 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 30)----------------|
| r_work = 0.2937 r_free = 0.2937 target = 0.093559 restraints weight = 76043.909|
|-----------------------------------------------------------------------------|
r_work (start): 0.2929 rms_B_bonded: 1.52
r_work: 0.2788 rms_B_bonded: 2.12 restraints_weight: 0.5000
r_work: 0.2638 rms_B_bonded: 3.50 restraints_weight: 0.2500
r_work (final): 0.2638
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8582
moved from start:          0.2681

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.031  70560  Z= 0.274
  Angle     :  0.468   4.959  95640  Z= 0.255
  Chirality :  0.049   0.139  11220
  Planarity :  0.004   0.040  12480
  Dihedral  :  5.078  87.537  10128
  Min Nonbonded Distance : 2.572

Molprobity Statistics.
  All-atom Clashscore : 4.87
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  1.46 %
    Favored  : 98.54 %
  Rotamer:
    Outliers :  4.20 %
    Allowed  : 11.69 %
    Favored  : 84.10 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  0.64 (0.09), residues: 9300
  helix:  1.43 (0.08), residues: 4500
  sheet: -1.91 (0.10), residues: 2280
  loop :  1.33 (0.13), residues: 2520

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.005   0.001   TRP B 125 
 HIS   0.005   0.001   HIS o 146 
 PHE   0.008   0.002   PHE 6 186 
 TYR   0.008   0.001   TYR 0 114 
 ARG   0.004   0.000   ARG p  94 

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

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

  18600 Ramachandran restraints generated.
    9300 Oldfield, 0 Emsley, 9300 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  18600 Ramachandran restraints generated.
    9300 Oldfield, 0 Emsley, 9300 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  2088 residues out of total 7140 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 300
    poor density    : 1788
  time to evaluate  : 5.866 
Fit side-chains
REVERT: B   74 ARG cc_start: 0.8597 (OUTLIER) cc_final: 0.8344 (ttm170)
REVERT: B  112 LYS cc_start: 0.8831 (OUTLIER) cc_final: 0.8361 (tptp)
REVERT: B  193 ASP cc_start: 0.8044 (OUTLIER) cc_final: 0.7831 (t0)
REVERT: B  211 GLU cc_start: 0.8520 (mt-10) cc_final: 0.8208 (mt-10)
REVERT: B  218 GLU cc_start: 0.8707 (OUTLIER) cc_final: 0.8465 (tt0)
REVERT: B  228 GLN cc_start: 0.6140 (OUTLIER) cc_final: 0.5734 (mt0)
REVERT: C  105 GLU cc_start: 0.8589 (mm-30) cc_final: 0.8358 (mm-30)
REVERT: C  144 LYS cc_start: 0.8930 (mtmm) cc_final: 0.8521 (mtmm)
REVERT: C  192 GLU cc_start: 0.8863 (OUTLIER) cc_final: 0.8432 (mm-30)
REVERT: D  105 GLU cc_start: 0.8579 (mm-30) cc_final: 0.8344 (mm-30)
REVERT: D  144 LYS cc_start: 0.8932 (mtmm) cc_final: 0.8522 (mtmm)
REVERT: D  192 GLU cc_start: 0.8875 (OUTLIER) cc_final: 0.8434 (mm-30)
REVERT: E  105 GLU cc_start: 0.8385 (OUTLIER) cc_final: 0.7922 (mp0)
REVERT: E  131 GLU cc_start: 0.8568 (mp0) cc_final: 0.8169 (mm-30)
REVERT: E  167 ASN cc_start: 0.8488 (m110) cc_final: 0.8079 (m110)
REVERT: E  175 SER cc_start: 0.8858 (m) cc_final: 0.8578 (t)
REVERT: E  211 GLU cc_start: 0.8539 (mt-10) cc_final: 0.8239 (mt-10)
REVERT: F  105 GLU cc_start: 0.8376 (OUTLIER) cc_final: 0.8131 (mp0)
REVERT: F  112 LYS cc_start: 0.9096 (OUTLIER) cc_final: 0.8726 (tttm)
REVERT: F  131 GLU cc_start: 0.8546 (mp0) cc_final: 0.8176 (mp0)
REVERT: F  192 GLU cc_start: 0.8845 (OUTLIER) cc_final: 0.8223 (mp0)
REVERT: F  196 GLN cc_start: 0.8704 (mt0) cc_final: 0.8389 (mt0)
REVERT: F  219 MET cc_start: 0.9125 (mmm) cc_final: 0.8811 (mmp)
REVERT: G   74 ARG cc_start: 0.8600 (OUTLIER) cc_final: 0.8349 (ttm170)
REVERT: G  112 LYS cc_start: 0.8833 (OUTLIER) cc_final: 0.8370 (tptp)
REVERT: G  195 ASP cc_start: 0.7437 (t70) cc_final: 0.7033 (t70)
REVERT: G  211 GLU cc_start: 0.8515 (mt-10) cc_final: 0.8208 (mt-10)
REVERT: G  218 GLU cc_start: 0.8724 (OUTLIER) cc_final: 0.8476 (tt0)
REVERT: G  228 GLN cc_start: 0.6127 (OUTLIER) cc_final: 0.5715 (mt0)
REVERT: H  105 GLU cc_start: 0.8406 (OUTLIER) cc_final: 0.7950 (mp0)
REVERT: H  131 GLU cc_start: 0.8589 (mp0) cc_final: 0.8190 (mm-30)
REVERT: H  167 ASN cc_start: 0.8489 (m110) cc_final: 0.8070 (m110)
REVERT: H  175 SER cc_start: 0.8850 (m) cc_final: 0.8572 (t)
REVERT: H  211 GLU cc_start: 0.8575 (mt-10) cc_final: 0.8288 (mt-10)
REVERT: I   74 ARG cc_start: 0.8599 (OUTLIER) cc_final: 0.8363 (ttm170)
REVERT: I  112 LYS cc_start: 0.8819 (OUTLIER) cc_final: 0.8350 (tptp)
REVERT: I  193 ASP cc_start: 0.7938 (OUTLIER) cc_final: 0.7731 (t0)
REVERT: I  211 GLU cc_start: 0.8483 (mt-10) cc_final: 0.8158 (mt-10)
REVERT: I  228 GLN cc_start: 0.6138 (OUTLIER) cc_final: 0.5728 (mt0)
REVERT: J  105 GLU cc_start: 0.8568 (mm-30) cc_final: 0.8341 (mm-30)
REVERT: J  144 LYS cc_start: 0.8919 (mtmm) cc_final: 0.8512 (mtmm)
REVERT: J  192 GLU cc_start: 0.8862 (OUTLIER) cc_final: 0.8484 (mm-30)
REVERT: K  105 GLU cc_start: 0.8384 (OUTLIER) cc_final: 0.8140 (mp0)
REVERT: K  112 LYS cc_start: 0.9109 (OUTLIER) cc_final: 0.8737 (tttm)
REVERT: K  131 GLU cc_start: 0.8548 (mp0) cc_final: 0.8184 (mp0)
REVERT: K  192 GLU cc_start: 0.8876 (OUTLIER) cc_final: 0.8255 (mp0)
REVERT: K  196 GLN cc_start: 0.8703 (mt0) cc_final: 0.8390 (mt0)
REVERT: K  218 GLU cc_start: 0.8738 (OUTLIER) cc_final: 0.8459 (tt0)
REVERT: K  219 MET cc_start: 0.9180 (mmm) cc_final: 0.8947 (mmp)
REVERT: L  105 GLU cc_start: 0.8404 (OUTLIER) cc_final: 0.7949 (mp0)
REVERT: L  131 GLU cc_start: 0.8594 (mp0) cc_final: 0.8191 (mm-30)
REVERT: L  167 ASN cc_start: 0.8513 (m110) cc_final: 0.8092 (m110)
REVERT: L  175 SER cc_start: 0.8864 (m) cc_final: 0.8591 (t)
REVERT: L  211 GLU cc_start: 0.8588 (mt-10) cc_final: 0.8269 (mt-10)
REVERT: L  219 MET cc_start: 0.9132 (mmm) cc_final: 0.8911 (mmp)
REVERT: M  105 GLU cc_start: 0.8368 (OUTLIER) cc_final: 0.8123 (mp0)
REVERT: M  112 LYS cc_start: 0.9094 (OUTLIER) cc_final: 0.8715 (tttm)
REVERT: M  131 GLU cc_start: 0.8787 (mp0) cc_final: 0.8471 (mp0)
REVERT: M  192 GLU cc_start: 0.8863 (OUTLIER) cc_final: 0.8246 (mp0)
REVERT: M  196 GLN cc_start: 0.8704 (mt0) cc_final: 0.8392 (mt0)
REVERT: M  218 GLU cc_start: 0.8753 (OUTLIER) cc_final: 0.8477 (tt0)
REVERT: M  219 MET cc_start: 0.9181 (mmm) cc_final: 0.8948 (mmp)
REVERT: N  105 GLU cc_start: 0.8413 (OUTLIER) cc_final: 0.7950 (mp0)
REVERT: N  131 GLU cc_start: 0.8587 (mp0) cc_final: 0.8189 (mm-30)
REVERT: N  167 ASN cc_start: 0.8505 (m110) cc_final: 0.8097 (m110)
REVERT: N  175 SER cc_start: 0.8862 (m) cc_final: 0.8591 (t)
REVERT: N  211 GLU cc_start: 0.8561 (mt-10) cc_final: 0.8269 (mt-10)
REVERT: O  105 GLU cc_start: 0.8388 (OUTLIER) cc_final: 0.8146 (mp0)
REVERT: O  112 LYS cc_start: 0.9094 (OUTLIER) cc_final: 0.8718 (tttm)
REVERT: O  131 GLU cc_start: 0.8544 (mp0) cc_final: 0.8182 (mp0)
REVERT: O  192 GLU cc_start: 0.8872 (OUTLIER) cc_final: 0.8251 (mp0)
REVERT: O  196 GLN cc_start: 0.8707 (mt0) cc_final: 0.8393 (mt0)
REVERT: O  218 GLU cc_start: 0.8735 (OUTLIER) cc_final: 0.8462 (tt0)
REVERT: O  219 MET cc_start: 0.9185 (mmm) cc_final: 0.8953 (mmp)
REVERT: P   74 ARG cc_start: 0.8599 (OUTLIER) cc_final: 0.8344 (ttm170)
REVERT: P  112 LYS cc_start: 0.8829 (OUTLIER) cc_final: 0.8362 (tptp)
REVERT: P  193 ASP cc_start: 0.8019 (OUTLIER) cc_final: 0.7818 (t0)
REVERT: P  195 ASP cc_start: 0.7436 (t70) cc_final: 0.7033 (t70)
REVERT: P  211 GLU cc_start: 0.8496 (mt-10) cc_final: 0.8179 (mt-10)
REVERT: P  218 GLU cc_start: 0.8716 (OUTLIER) cc_final: 0.8473 (tt0)
REVERT: P  228 GLN cc_start: 0.6143 (OUTLIER) cc_final: 0.5736 (mt0)
REVERT: Q  105 GLU cc_start: 0.8394 (OUTLIER) cc_final: 0.8151 (mp0)
REVERT: Q  112 LYS cc_start: 0.9092 (OUTLIER) cc_final: 0.8720 (tttm)
REVERT: Q  131 GLU cc_start: 0.8554 (mp0) cc_final: 0.8195 (mp0)
REVERT: Q  192 GLU cc_start: 0.8855 (OUTLIER) cc_final: 0.8229 (mp0)
REVERT: Q  196 GLN cc_start: 0.8701 (mt0) cc_final: 0.8389 (mt0)
REVERT: Q  218 GLU cc_start: 0.8738 (OUTLIER) cc_final: 0.8466 (tt0)
REVERT: Q  219 MET cc_start: 0.9177 (mmm) cc_final: 0.8946 (mmp)
REVERT: R  105 GLU cc_start: 0.8387 (OUTLIER) cc_final: 0.7927 (mp0)
REVERT: R  131 GLU cc_start: 0.8579 (mp0) cc_final: 0.8181 (mm-30)
REVERT: R  167 ASN cc_start: 0.8485 (m110) cc_final: 0.8074 (m110)
REVERT: R  175 SER cc_start: 0.8858 (m) cc_final: 0.8583 (t)
REVERT: R  211 GLU cc_start: 0.8483 (mt-10) cc_final: 0.8165 (mt-10)
REVERT: R  219 MET cc_start: 0.9137 (mmm) cc_final: 0.8915 (mmp)
REVERT: S  105 GLU cc_start: 0.8585 (mm-30) cc_final: 0.8352 (mm-30)
REVERT: S  144 LYS cc_start: 0.8931 (mtmm) cc_final: 0.8519 (mtmm)
REVERT: S  192 GLU cc_start: 0.8876 (OUTLIER) cc_final: 0.8430 (mm-30)
REVERT: T  105 GLU cc_start: 0.8563 (mm-30) cc_final: 0.8330 (mm-30)
REVERT: T  144 LYS cc_start: 0.8939 (mtmm) cc_final: 0.8532 (mtmm)
REVERT: T  192 GLU cc_start: 0.8886 (OUTLIER) cc_final: 0.8451 (mm-30)
REVERT: U  105 GLU cc_start: 0.8375 (OUTLIER) cc_final: 0.8131 (mp0)
REVERT: U  112 LYS cc_start: 0.9103 (OUTLIER) cc_final: 0.8735 (tttm)
REVERT: U  131 GLU cc_start: 0.8545 (mp0) cc_final: 0.8184 (mp0)
REVERT: U  192 GLU cc_start: 0.8862 (OUTLIER) cc_final: 0.8239 (mp0)
REVERT: U  196 GLN cc_start: 0.8707 (mt0) cc_final: 0.8391 (mt0)
REVERT: U  218 GLU cc_start: 0.8752 (OUTLIER) cc_final: 0.8476 (tt0)
REVERT: U  219 MET cc_start: 0.9180 (mmm) cc_final: 0.8946 (mmp)
REVERT: V  105 GLU cc_start: 0.8409 (OUTLIER) cc_final: 0.7942 (mp0)
REVERT: V  131 GLU cc_start: 0.8582 (mp0) cc_final: 0.8183 (mm-30)
REVERT: V  167 ASN cc_start: 0.8496 (m110) cc_final: 0.8083 (m110)
REVERT: V  175 SER cc_start: 0.8856 (m) cc_final: 0.8582 (t)
REVERT: V  211 GLU cc_start: 0.8547 (mt-10) cc_final: 0.8252 (mt-10)
REVERT: W   74 ARG cc_start: 0.8598 (OUTLIER) cc_final: 0.8341 (ttm170)
REVERT: W  112 LYS cc_start: 0.8819 (OUTLIER) cc_final: 0.8353 (tptp)
REVERT: W  193 ASP cc_start: 0.8029 (OUTLIER) cc_final: 0.7828 (t0)
REVERT: W  195 ASP cc_start: 0.7467 (t70) cc_final: 0.7069 (t70)
REVERT: W  211 GLU cc_start: 0.8515 (mt-10) cc_final: 0.8204 (mt-10)
REVERT: W  218 GLU cc_start: 0.8716 (OUTLIER) cc_final: 0.8469 (tt0)
REVERT: W  228 GLN cc_start: 0.6129 (OUTLIER) cc_final: 0.5723 (mt0)
REVERT: X   74 ARG cc_start: 0.8603 (OUTLIER) cc_final: 0.8354 (ttm170)
REVERT: X  112 LYS cc_start: 0.8839 (OUTLIER) cc_final: 0.8375 (tptp)
REVERT: X  193 ASP cc_start: 0.8041 (OUTLIER) cc_final: 0.7824 (t0)
REVERT: X  195 ASP cc_start: 0.7482 (t70) cc_final: 0.7085 (t70)
REVERT: X  211 GLU cc_start: 0.8528 (mt-10) cc_final: 0.8220 (mt-10)
REVERT: X  218 GLU cc_start: 0.8715 (OUTLIER) cc_final: 0.8469 (tt0)
REVERT: X  228 GLN cc_start: 0.6133 (OUTLIER) cc_final: 0.5730 (mt0)
REVERT: Y  105 GLU cc_start: 0.8568 (mm-30) cc_final: 0.8341 (mm-30)
REVERT: Y  144 LYS cc_start: 0.8917 (mtmm) cc_final: 0.8509 (mtmm)
REVERT: Y  192 GLU cc_start: 0.8847 (OUTLIER) cc_final: 0.8464 (mm-30)
REVERT: 0   94 ARG cc_start: 0.9009 (ttm110) cc_final: 0.8767 (ttm110)
REVERT: 2   94 ARG cc_start: 0.9012 (ttm110) cc_final: 0.8773 (ttm110)
REVERT: 3  105 GLU cc_start: 0.8384 (OUTLIER) cc_final: 0.8144 (mp0)
REVERT: 3  112 LYS cc_start: 0.9098 (OUTLIER) cc_final: 0.8725 (tttm)
REVERT: 3  131 GLU cc_start: 0.8778 (mp0) cc_final: 0.8448 (mp0)
REVERT: 3  192 GLU cc_start: 0.8870 (OUTLIER) cc_final: 0.8259 (mp0)
REVERT: 3  196 GLN cc_start: 0.8714 (mt0) cc_final: 0.8404 (mt0)
REVERT: 3  218 GLU cc_start: 0.8742 (OUTLIER) cc_final: 0.8465 (tt0)
REVERT: 3  219 MET cc_start: 0.9193 (mmm) cc_final: 0.8964 (mmp)
REVERT: 4   74 ARG cc_start: 0.8601 (OUTLIER) cc_final: 0.8368 (ttm170)
REVERT: 4  112 LYS cc_start: 0.8827 (OUTLIER) cc_final: 0.8363 (tptp)
REVERT: 4  193 ASP cc_start: 0.8062 (OUTLIER) cc_final: 0.7841 (t0)
REVERT: 4  211 GLU cc_start: 0.8472 (mt-10) cc_final: 0.8148 (mt-10)
REVERT: 4  228 GLN cc_start: 0.6141 (OUTLIER) cc_final: 0.5731 (mt0)
REVERT: 5  105 GLU cc_start: 0.8568 (mm-30) cc_final: 0.8341 (mm-30)
REVERT: 5  144 LYS cc_start: 0.8927 (mtmm) cc_final: 0.8520 (mtmm)
REVERT: 5  192 GLU cc_start: 0.8847 (OUTLIER) cc_final: 0.8465 (mm-30)
REVERT: 6  105 GLU cc_start: 0.8403 (OUTLIER) cc_final: 0.7940 (mp0)
REVERT: 6  131 GLU cc_start: 0.8578 (mp0) cc_final: 0.8182 (mm-30)
REVERT: 6  167 ASN cc_start: 0.8493 (m110) cc_final: 0.8085 (m110)
REVERT: 6  175 SER cc_start: 0.8856 (m) cc_final: 0.8579 (t)
REVERT: 6  211 GLU cc_start: 0.8537 (mt-10) cc_final: 0.8238 (mt-10)
REVERT: 7  105 GLU cc_start: 0.8373 (OUTLIER) cc_final: 0.8132 (mp0)
REVERT: 7  112 LYS cc_start: 0.9095 (OUTLIER) cc_final: 0.8724 (tttm)
REVERT: 7  131 GLU cc_start: 0.8777 (mp0) cc_final: 0.8453 (mp0)
REVERT: 7  192 GLU cc_start: 0.8858 (OUTLIER) cc_final: 0.8243 (mp0)
REVERT: 7  196 GLN cc_start: 0.8724 (mt0) cc_final: 0.8413 (mt0)
REVERT: 7  219 MET cc_start: 0.9125 (mmm) cc_final: 0.8808 (mmp)
REVERT: 8  105 GLU cc_start: 0.8423 (OUTLIER) cc_final: 0.7969 (mp0)
REVERT: 8  131 GLU cc_start: 0.8583 (mp0) cc_final: 0.8184 (mm-30)
REVERT: 8  167 ASN cc_start: 0.8488 (m110) cc_final: 0.8078 (m110)
REVERT: 8  175 SER cc_start: 0.8874 (m) cc_final: 0.8601 (t)
REVERT: 8  211 GLU cc_start: 0.8564 (mt-10) cc_final: 0.8243 (mt-10)
REVERT: 8  219 MET cc_start: 0.9134 (mmm) cc_final: 0.8915 (mmp)
REVERT: 9  105 GLU cc_start: 0.8365 (OUTLIER) cc_final: 0.8121 (mp0)
REVERT: 9  112 LYS cc_start: 0.9110 (OUTLIER) cc_final: 0.8743 (tttm)
REVERT: 9  131 GLU cc_start: 0.8773 (mp0) cc_final: 0.8450 (mp0)
REVERT: 9  192 GLU cc_start: 0.8877 (OUTLIER) cc_final: 0.8257 (mp0)
REVERT: 9  196 GLN cc_start: 0.8709 (mt0) cc_final: 0.8401 (mt0)
REVERT: 9  218 GLU cc_start: 0.8751 (OUTLIER) cc_final: 0.8477 (tt0)
REVERT: 9  219 MET cc_start: 0.9194 (mmm) cc_final: 0.8962 (mmp)
REVERT: a  105 GLU cc_start: 0.8573 (mm-30) cc_final: 0.8342 (mm-30)
REVERT: a  144 LYS cc_start: 0.8932 (mtmm) cc_final: 0.8525 (mtmm)
REVERT: a  192 GLU cc_start: 0.8866 (OUTLIER) cc_final: 0.8436 (mm-30)
REVERT: b   74 ARG cc_start: 0.8601 (OUTLIER) cc_final: 0.8360 (ttm170)
REVERT: b  112 LYS cc_start: 0.8834 (OUTLIER) cc_final: 0.8372 (tptp)
REVERT: b  193 ASP cc_start: 0.8038 (OUTLIER) cc_final: 0.7825 (t0)
REVERT: b  211 GLU cc_start: 0.8476 (mt-10) cc_final: 0.8157 (mt-10)
REVERT: b  228 GLN cc_start: 0.6120 (OUTLIER) cc_final: 0.5714 (mt0)
REVERT: c  105 GLU cc_start: 0.8396 (OUTLIER) cc_final: 0.7932 (mp0)
REVERT: c  131 GLU cc_start: 0.8578 (mp0) cc_final: 0.8178 (mm-30)
REVERT: c  167 ASN cc_start: 0.8485 (m110) cc_final: 0.8073 (m110)
REVERT: c  175 SER cc_start: 0.8870 (m) cc_final: 0.8591 (t)
REVERT: c  211 GLU cc_start: 0.8529 (mt-10) cc_final: 0.8240 (mt-10)
REVERT: d   94 ARG cc_start: 0.9023 (ttm110) cc_final: 0.8784 (ttm110)
REVERT: e   94 ARG cc_start: 0.9021 (ttm110) cc_final: 0.8779 (ttm110)
REVERT: g   94 ARG cc_start: 0.9019 (ttm110) cc_final: 0.8781 (ttm110)
REVERT: h   74 ARG cc_start: 0.8590 (OUTLIER) cc_final: 0.8350 (ttm170)
REVERT: h  112 LYS cc_start: 0.8830 (OUTLIER) cc_final: 0.8360 (tptp)
REVERT: h  193 ASP cc_start: 0.8029 (OUTLIER) cc_final: 0.7822 (t0)
REVERT: h  211 GLU cc_start: 0.8472 (mt-10) cc_final: 0.8149 (mt-10)
REVERT: h  228 GLN cc_start: 0.6129 (OUTLIER) cc_final: 0.5728 (mt0)
REVERT: i  105 GLU cc_start: 0.8572 (mm-30) cc_final: 0.8338 (mm-30)
REVERT: i  144 LYS cc_start: 0.8938 (mtmm) cc_final: 0.8529 (mtmm)
REVERT: i  192 GLU cc_start: 0.8884 (OUTLIER) cc_final: 0.8448 (mm-30)
REVERT: j  105 GLU cc_start: 0.8569 (mm-30) cc_final: 0.8338 (mm-30)
REVERT: j  144 LYS cc_start: 0.8940 (mtmm) cc_final: 0.8537 (mtmm)
REVERT: j  192 GLU cc_start: 0.8857 (OUTLIER) cc_final: 0.8412 (mm-30)
REVERT: k   74 ARG cc_start: 0.8595 (OUTLIER) cc_final: 0.8358 (ttm170)
REVERT: k  112 LYS cc_start: 0.8829 (OUTLIER) cc_final: 0.8371 (tptp)
REVERT: k  193 ASP cc_start: 0.8057 (OUTLIER) cc_final: 0.7834 (t0)
REVERT: k  195 ASP cc_start: 0.7460 (t70) cc_final: 0.7061 (t70)
REVERT: k  211 GLU cc_start: 0.8485 (mt-10) cc_final: 0.8169 (mt-10)
REVERT: k  228 GLN cc_start: 0.6137 (OUTLIER) cc_final: 0.5730 (mt0)
REVERT: l   74 ARG cc_start: 0.8587 (OUTLIER) cc_final: 0.8352 (ttm170)
REVERT: l  112 LYS cc_start: 0.8831 (OUTLIER) cc_final: 0.8365 (tptp)
REVERT: l  211 GLU cc_start: 0.8459 (mt-10) cc_final: 0.8123 (mt-10)
REVERT: l  228 GLN cc_start: 0.6144 (OUTLIER) cc_final: 0.5739 (mt0)
REVERT: m  105 GLU cc_start: 0.8578 (mm-30) cc_final: 0.8347 (mm-30)
REVERT: m  144 LYS cc_start: 0.8937 (mtmm) cc_final: 0.8529 (mtmm)
REVERT: m  192 GLU cc_start: 0.8858 (OUTLIER) cc_final: 0.8413 (mm-30)
REVERT: n   94 ARG cc_start: 0.9016 (ttm110) cc_final: 0.8776 (ttm110)
REVERT: o  105 GLU cc_start: 0.8414 (OUTLIER) cc_final: 0.7957 (mp0)
REVERT: o  131 GLU cc_start: 0.8583 (mp0) cc_final: 0.8184 (mm-30)
REVERT: o  167 ASN cc_start: 0.8475 (m110) cc_final: 0.8060 (m110)
REVERT: o  175 SER cc_start: 0.8860 (m) cc_final: 0.8577 (t)
REVERT: o  211 GLU cc_start: 0.8491 (mt-10) cc_final: 0.8186 (mt-10)
REVERT: o  219 MET cc_start: 0.9129 (mmm) cc_final: 0.8910 (mmp)
REVERT: p  105 GLU cc_start: 0.8392 (OUTLIER) cc_final: 0.8151 (mp0)
REVERT: p  112 LYS cc_start: 0.9098 (OUTLIER) cc_final: 0.8728 (tttm)
REVERT: p  131 GLU cc_start: 0.8773 (mp0) cc_final: 0.8445 (mp0)
REVERT: p  192 GLU cc_start: 0.8847 (OUTLIER) cc_final: 0.8216 (mp0)
REVERT: p  196 GLN cc_start: 0.8706 (mt0) cc_final: 0.8392 (mt0)
REVERT: p  219 MET cc_start: 0.9135 (mmm) cc_final: 0.8823 (mmp)
REVERT: q  105 GLU cc_start: 0.8412 (OUTLIER) cc_final: 0.7946 (mp0)
REVERT: q  131 GLU cc_start: 0.8583 (mp0) cc_final: 0.8182 (mm-30)
REVERT: q  167 ASN cc_start: 0.8500 (m110) cc_final: 0.8089 (m110)
REVERT: q  175 SER cc_start: 0.8861 (m) cc_final: 0.8586 (t)
REVERT: q  211 GLU cc_start: 0.8549 (mt-10) cc_final: 0.8258 (mt-10)
REVERT: r  105 GLU cc_start: 0.8365 (OUTLIER) cc_final: 0.8123 (mp0)
REVERT: r  112 LYS cc_start: 0.9106 (OUTLIER) cc_final: 0.8731 (tttm)
REVERT: r  131 GLU cc_start: 0.8778 (mp0) cc_final: 0.8455 (mp0)
REVERT: r  192 GLU cc_start: 0.8849 (OUTLIER) cc_final: 0.8227 (mp0)
REVERT: r  196 GLN cc_start: 0.8707 (mt0) cc_final: 0.8395 (mt0)
REVERT: r  219 MET cc_start: 0.9144 (mmm) cc_final: 0.8831 (mmp)
REVERT: t   94 ARG cc_start: 0.9012 (ttm110) cc_final: 0.8772 (ttm110)
REVERT: u   74 ARG cc_start: 0.8605 (OUTLIER) cc_final: 0.8362 (ttm170)
REVERT: u  112 LYS cc_start: 0.8821 (OUTLIER) cc_final: 0.8355 (tptp)
REVERT: u  195 ASP cc_start: 0.7439 (t70) cc_final: 0.7039 (t70)
REVERT: u  211 GLU cc_start: 0.8480 (mt-10) cc_final: 0.8162 (mt-10)
REVERT: u  228 GLN cc_start: 0.6115 (OUTLIER) cc_final: 0.5711 (mt0)
REVERT: v  105 GLU cc_start: 0.8581 (mm-30) cc_final: 0.8351 (mm-30)
REVERT: v  144 LYS cc_start: 0.8935 (mtmm) cc_final: 0.8528 (mtmm)
REVERT: v  192 GLU cc_start: 0.8849 (OUTLIER) cc_final: 0.8402 (mm-30)
REVERT: w  105 GLU cc_start: 0.8413 (OUTLIER) cc_final: 0.7956 (mp0)
REVERT: w  131 GLU cc_start: 0.8584 (mp0) cc_final: 0.8186 (mm-30)
REVERT: w  167 ASN cc_start: 0.8488 (m110) cc_final: 0.8065 (m110)
REVERT: w  175 SER cc_start: 0.8857 (m) cc_final: 0.8581 (t)
REVERT: w  211 GLU cc_start: 0.8581 (mt-10) cc_final: 0.8261 (mt-10)
REVERT: w  219 MET cc_start: 0.9136 (mmm) cc_final: 0.8916 (mmp)
REVERT: x  105 GLU cc_start: 0.8380 (OUTLIER) cc_final: 0.8136 (mp0)
REVERT: x  112 LYS cc_start: 0.9101 (OUTLIER) cc_final: 0.8735 (tttm)
REVERT: x  131 GLU cc_start: 0.8781 (mp0) cc_final: 0.8452 (mp0)
REVERT: x  192 GLU cc_start: 0.8832 (OUTLIER) cc_final: 0.8210 (mp0)
REVERT: x  196 GLN cc_start: 0.8718 (mt0) cc_final: 0.8406 (mt0)
REVERT: x  219 MET cc_start: 0.9141 (mmm) cc_final: 0.8828 (mmp)
  outliers start: 300
  outliers final: 143
  residues processed: 1896
  average time/residue: 1.8909
  time to fit residues: 4488.1461
Evaluate side-chains
  2011 residues out of total 7140 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 260
    poor density    : 1751
  time to evaluate  : 6.671 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue  178 LEU
Chi-restraints excluded: chain B residue   74 ARG
Chi-restraints excluded: chain B residue  112 LYS
Chi-restraints excluded: chain B residue  178 LEU
Chi-restraints excluded: chain B residue  193 ASP
Chi-restraints excluded: chain B residue  218 GLU
Chi-restraints excluded: chain B residue  228 GLN
Chi-restraints excluded: chain C residue  159 THR
Chi-restraints excluded: chain C residue  192 GLU
Chi-restraints excluded: chain D residue  159 THR
Chi-restraints excluded: chain D residue  192 GLU
Chi-restraints excluded: chain E residue   92 VAL
Chi-restraints excluded: chain E residue  105 GLU
Chi-restraints excluded: chain E residue  112 LYS
Chi-restraints excluded: chain E residue  193 ASP
Chi-restraints excluded: chain F residue   92 VAL
Chi-restraints excluded: chain F residue  105 GLU
Chi-restraints excluded: chain F residue  112 LYS
Chi-restraints excluded: chain F residue  171 SER
Chi-restraints excluded: chain F residue  178 LEU
Chi-restraints excluded: chain F residue  190 THR
Chi-restraints excluded: chain F residue  192 GLU
Chi-restraints excluded: chain F residue  193 ASP
Chi-restraints excluded: chain F residue  224 GLU
Chi-restraints excluded: chain G residue   74 ARG
Chi-restraints excluded: chain G residue  112 LYS
Chi-restraints excluded: chain G residue  178 LEU
Chi-restraints excluded: chain G residue  218 GLU
Chi-restraints excluded: chain G residue  228 GLN
Chi-restraints excluded: chain H residue   92 VAL
Chi-restraints excluded: chain H residue  105 GLU
Chi-restraints excluded: chain H residue  112 LYS
Chi-restraints excluded: chain H residue  193 ASP
Chi-restraints excluded: chain I residue   74 ARG
Chi-restraints excluded: chain I residue  112 LYS
Chi-restraints excluded: chain I residue  178 LEU
Chi-restraints excluded: chain I residue  193 ASP
Chi-restraints excluded: chain I residue  228 GLN
Chi-restraints excluded: chain J residue   77 THR
Chi-restraints excluded: chain J residue  159 THR
Chi-restraints excluded: chain J residue  192 GLU
Chi-restraints excluded: chain K residue   92 VAL
Chi-restraints excluded: chain K residue  105 GLU
Chi-restraints excluded: chain K residue  112 LYS
Chi-restraints excluded: chain K residue  171 SER
Chi-restraints excluded: chain K residue  178 LEU
Chi-restraints excluded: chain K residue  190 THR
Chi-restraints excluded: chain K residue  192 GLU
Chi-restraints excluded: chain K residue  193 ASP
Chi-restraints excluded: chain K residue  218 GLU
Chi-restraints excluded: chain K residue  224 GLU
Chi-restraints excluded: chain L residue   92 VAL
Chi-restraints excluded: chain L residue  105 GLU
Chi-restraints excluded: chain L residue  112 LYS
Chi-restraints excluded: chain L residue  193 ASP
Chi-restraints excluded: chain M residue   92 VAL
Chi-restraints excluded: chain M residue  105 GLU
Chi-restraints excluded: chain M residue  112 LYS
Chi-restraints excluded: chain M residue  171 SER
Chi-restraints excluded: chain M residue  178 LEU
Chi-restraints excluded: chain M residue  190 THR
Chi-restraints excluded: chain M residue  192 GLU
Chi-restraints excluded: chain M residue  193 ASP
Chi-restraints excluded: chain M residue  218 GLU
Chi-restraints excluded: chain M residue  224 GLU
Chi-restraints excluded: chain N residue   92 VAL
Chi-restraints excluded: chain N residue  105 GLU
Chi-restraints excluded: chain N residue  112 LYS
Chi-restraints excluded: chain N residue  193 ASP
Chi-restraints excluded: chain O residue   92 VAL
Chi-restraints excluded: chain O residue  105 GLU
Chi-restraints excluded: chain O residue  112 LYS
Chi-restraints excluded: chain O residue  171 SER
Chi-restraints excluded: chain O residue  178 LEU
Chi-restraints excluded: chain O residue  190 THR
Chi-restraints excluded: chain O residue  192 GLU
Chi-restraints excluded: chain O residue  193 ASP
Chi-restraints excluded: chain O residue  218 GLU
Chi-restraints excluded: chain P residue   74 ARG
Chi-restraints excluded: chain P residue  112 LYS
Chi-restraints excluded: chain P residue  178 LEU
Chi-restraints excluded: chain P residue  193 ASP
Chi-restraints excluded: chain P residue  218 GLU
Chi-restraints excluded: chain P residue  228 GLN
Chi-restraints excluded: chain Q residue   92 VAL
Chi-restraints excluded: chain Q residue  105 GLU
Chi-restraints excluded: chain Q residue  112 LYS
Chi-restraints excluded: chain Q residue  171 SER
Chi-restraints excluded: chain Q residue  178 LEU
Chi-restraints excluded: chain Q residue  190 THR
Chi-restraints excluded: chain Q residue  192 GLU
Chi-restraints excluded: chain Q residue  193 ASP
Chi-restraints excluded: chain Q residue  218 GLU
Chi-restraints excluded: chain R residue   92 VAL
Chi-restraints excluded: chain R residue  105 GLU
Chi-restraints excluded: chain R residue  112 LYS
Chi-restraints excluded: chain S residue   77 THR
Chi-restraints excluded: chain S residue  159 THR
Chi-restraints excluded: chain S residue  192 GLU
Chi-restraints excluded: chain T residue  159 THR
Chi-restraints excluded: chain T residue  192 GLU
Chi-restraints excluded: chain U residue   92 VAL
Chi-restraints excluded: chain U residue  105 GLU
Chi-restraints excluded: chain U residue  112 LYS
Chi-restraints excluded: chain U residue  171 SER
Chi-restraints excluded: chain U residue  178 LEU
Chi-restraints excluded: chain U residue  190 THR
Chi-restraints excluded: chain U residue  192 GLU
Chi-restraints excluded: chain U residue  193 ASP
Chi-restraints excluded: chain U residue  218 GLU
Chi-restraints excluded: chain U residue  224 GLU
Chi-restraints excluded: chain V residue   92 VAL
Chi-restraints excluded: chain V residue  105 GLU
Chi-restraints excluded: chain V residue  112 LYS
Chi-restraints excluded: chain W residue   74 ARG
Chi-restraints excluded: chain W residue  112 LYS
Chi-restraints excluded: chain W residue  178 LEU
Chi-restraints excluded: chain W residue  193 ASP
Chi-restraints excluded: chain W residue  218 GLU
Chi-restraints excluded: chain W residue  228 GLN
Chi-restraints excluded: chain X residue   74 ARG
Chi-restraints excluded: chain X residue  112 LYS
Chi-restraints excluded: chain X residue  178 LEU
Chi-restraints excluded: chain X residue  193 ASP
Chi-restraints excluded: chain X residue  218 GLU
Chi-restraints excluded: chain X residue  228 GLN
Chi-restraints excluded: chain Y residue  159 THR
Chi-restraints excluded: chain Y residue  192 GLU
Chi-restraints excluded: chain Z residue  178 LEU
Chi-restraints excluded: chain 0 residue  178 LEU
Chi-restraints excluded: chain 1 residue  178 LEU
Chi-restraints excluded: chain 2 residue  178 LEU
Chi-restraints excluded: chain 3 residue   92 VAL
Chi-restraints excluded: chain 3 residue  105 GLU
Chi-restraints excluded: chain 3 residue  112 LYS
Chi-restraints excluded: chain 3 residue  171 SER
Chi-restraints excluded: chain 3 residue  178 LEU
Chi-restraints excluded: chain 3 residue  190 THR
Chi-restraints excluded: chain 3 residue  192 GLU
Chi-restraints excluded: chain 3 residue  193 ASP
Chi-restraints excluded: chain 3 residue  218 GLU
Chi-restraints excluded: chain 3 residue  224 GLU
Chi-restraints excluded: chain 4 residue   74 ARG
Chi-restraints excluded: chain 4 residue  112 LYS
Chi-restraints excluded: chain 4 residue  178 LEU
Chi-restraints excluded: chain 4 residue  193 ASP
Chi-restraints excluded: chain 4 residue  228 GLN
Chi-restraints excluded: chain 5 residue   77 THR
Chi-restraints excluded: chain 5 residue  159 THR
Chi-restraints excluded: chain 5 residue  192 GLU
Chi-restraints excluded: chain 6 residue   92 VAL
Chi-restraints excluded: chain 6 residue  105 GLU
Chi-restraints excluded: chain 6 residue  112 LYS
Chi-restraints excluded: chain 6 residue  193 ASP
Chi-restraints excluded: chain 7 residue   92 VAL
Chi-restraints excluded: chain 7 residue  105 GLU
Chi-restraints excluded: chain 7 residue  112 LYS
Chi-restraints excluded: chain 7 residue  171 SER
Chi-restraints excluded: chain 7 residue  178 LEU
Chi-restraints excluded: chain 7 residue  190 THR
Chi-restraints excluded: chain 7 residue  192 GLU
Chi-restraints excluded: chain 7 residue  193 ASP
Chi-restraints excluded: chain 7 residue  224 GLU
Chi-restraints excluded: chain 8 residue   92 VAL
Chi-restraints excluded: chain 8 residue  105 GLU
Chi-restraints excluded: chain 8 residue  112 LYS
Chi-restraints excluded: chain 8 residue  193 ASP
Chi-restraints excluded: chain 9 residue   92 VAL
Chi-restraints excluded: chain 9 residue  105 GLU
Chi-restraints excluded: chain 9 residue  112 LYS
Chi-restraints excluded: chain 9 residue  171 SER
Chi-restraints excluded: chain 9 residue  178 LEU
Chi-restraints excluded: chain 9 residue  190 THR
Chi-restraints excluded: chain 9 residue  192 GLU
Chi-restraints excluded: chain 9 residue  193 ASP
Chi-restraints excluded: chain 9 residue  218 GLU
Chi-restraints excluded: chain 9 residue  224 GLU
Chi-restraints excluded: chain a residue   77 THR
Chi-restraints excluded: chain a residue  159 THR
Chi-restraints excluded: chain a residue  192 GLU
Chi-restraints excluded: chain b residue   74 ARG
Chi-restraints excluded: chain b residue  112 LYS
Chi-restraints excluded: chain b residue  178 LEU
Chi-restraints excluded: chain b residue  193 ASP
Chi-restraints excluded: chain b residue  228 GLN
Chi-restraints excluded: chain c residue   92 VAL
Chi-restraints excluded: chain c residue  105 GLU
Chi-restraints excluded: chain c residue  112 LYS
Chi-restraints excluded: chain d residue  178 LEU
Chi-restraints excluded: chain e residue  178 LEU
Chi-restraints excluded: chain f residue  178 LEU
Chi-restraints excluded: chain g residue  178 LEU
Chi-restraints excluded: chain h residue   74 ARG
Chi-restraints excluded: chain h residue  112 LYS
Chi-restraints excluded: chain h residue  178 LEU
Chi-restraints excluded: chain h residue  193 ASP
Chi-restraints excluded: chain h residue  228 GLN
Chi-restraints excluded: chain i residue   77 THR
Chi-restraints excluded: chain i residue  159 THR
Chi-restraints excluded: chain i residue  192 GLU
Chi-restraints excluded: chain j residue  159 THR
Chi-restraints excluded: chain j residue  192 GLU
Chi-restraints excluded: chain k residue   74 ARG
Chi-restraints excluded: chain k residue  112 LYS
Chi-restraints excluded: chain k residue  178 LEU
Chi-restraints excluded: chain k residue  193 ASP
Chi-restraints excluded: chain k residue  228 GLN
Chi-restraints excluded: chain l residue   74 ARG
Chi-restraints excluded: chain l residue  112 LYS
Chi-restraints excluded: chain l residue  178 LEU
Chi-restraints excluded: chain l residue  228 GLN
Chi-restraints excluded: chain m residue   77 THR
Chi-restraints excluded: chain m residue  159 THR
Chi-restraints excluded: chain m residue  192 GLU
Chi-restraints excluded: chain n residue  178 LEU
Chi-restraints excluded: chain o residue   92 VAL
Chi-restraints excluded: chain o residue  105 GLU
Chi-restraints excluded: chain o residue  112 LYS
Chi-restraints excluded: chain p residue   92 VAL
Chi-restraints excluded: chain p residue  105 GLU
Chi-restraints excluded: chain p residue  112 LYS
Chi-restraints excluded: chain p residue  171 SER
Chi-restraints excluded: chain p residue  178 LEU
Chi-restraints excluded: chain p residue  190 THR
Chi-restraints excluded: chain p residue  192 GLU
Chi-restraints excluded: chain p residue  193 ASP
Chi-restraints excluded: chain p residue  224 GLU
Chi-restraints excluded: chain q residue   92 VAL
Chi-restraints excluded: chain q residue  105 GLU
Chi-restraints excluded: chain q residue  112 LYS
Chi-restraints excluded: chain r residue   92 VAL
Chi-restraints excluded: chain r residue  105 GLU
Chi-restraints excluded: chain r residue  112 LYS
Chi-restraints excluded: chain r residue  171 SER
Chi-restraints excluded: chain r residue  178 LEU
Chi-restraints excluded: chain r residue  190 THR
Chi-restraints excluded: chain r residue  192 GLU
Chi-restraints excluded: chain r residue  193 ASP
Chi-restraints excluded: chain r residue  224 GLU
Chi-restraints excluded: chain s residue  178 LEU
Chi-restraints excluded: chain t residue  178 LEU
Chi-restraints excluded: chain u residue   74 ARG
Chi-restraints excluded: chain u residue  112 LYS
Chi-restraints excluded: chain u residue  178 LEU
Chi-restraints excluded: chain u residue  228 GLN
Chi-restraints excluded: chain v residue   77 THR
Chi-restraints excluded: chain v residue  159 THR
Chi-restraints excluded: chain v residue  192 GLU
Chi-restraints excluded: chain w residue   92 VAL
Chi-restraints excluded: chain w residue  105 GLU
Chi-restraints excluded: chain w residue  112 LYS
Chi-restraints excluded: chain x residue   92 VAL
Chi-restraints excluded: chain x residue  105 GLU
Chi-restraints excluded: chain x residue  112 LYS
Chi-restraints excluded: chain x residue  171 SER
Chi-restraints excluded: chain x residue  178 LEU
Chi-restraints excluded: chain x residue  190 THR
Chi-restraints excluded: chain x residue  192 GLU
Chi-restraints excluded: chain x residue  193 ASP
Chi-restraints excluded: chain x residue  224 GLU
Rotamers are restrained with sigma=3.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 900
   random chunks:
   chunk 382 optimal weight:    5.9990
   chunk 523 optimal weight:    8.9990
   chunk 616 optimal weight:    3.9990
   chunk 519 optimal weight:    9.9990
   chunk 510 optimal weight:    5.9990
   chunk 595 optimal weight:    9.9990
   chunk 863 optimal weight:    0.0770
   chunk 592 optimal weight:    3.9990
   chunk 839 optimal weight:    0.8980
   chunk 169 optimal weight:    6.9990
   chunk 572 optimal weight:    2.9990
   overall best weight:    2.3944

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

Flipped N/Q/H residues before XYZ refinement:
A 196 GLN
E 179 ASN
E 196 GLN
H 179 ASN
H 196 GLN
L 179 ASN
L 196 GLN
N 179 ASN
N 196 GLN
R 179 ASN
R 196 GLN
V 179 ASN
V 196 GLN
Z 196 GLN
0 196 GLN
1 196 GLN
2 196 GLN
6 179 ASN
6 196 GLN
8 179 ASN
8 196 GLN
c 179 ASN
c 196 GLN
d 196 GLN
e 196 GLN
f 196 GLN
g 196 GLN
n 196 GLN
o 179 ASN
o 196 GLN
q 167 ASN
q 179 ASN
q 196 GLN
s 196 GLN
t 196 GLN
w 179 ASN
w 196 GLN

Total number of N/Q/H flips: 37

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3217 r_free = 0.3217 target = 0.113533 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 39)----------------|
| r_work = 0.2942 r_free = 0.2942 target = 0.093843 restraints weight = 75791.069|
|-----------------------------------------------------------------------------|
r_work (start): 0.2931 rms_B_bonded: 1.51
r_work: 0.2790 rms_B_bonded: 2.11 restraints_weight: 0.5000
r_work: 0.2641 rms_B_bonded: 3.49 restraints_weight: 0.2500
r_work (final): 0.2641
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8589
moved from start:          0.2724

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.031  70560  Z= 0.276
  Angle     :  0.468   4.950  95640  Z= 0.255
  Chirality :  0.049   0.139  11220
  Planarity :  0.004   0.041  12480
  Dihedral  :  5.097  88.475  10116
  Min Nonbonded Distance : 2.569

Molprobity Statistics.
  All-atom Clashscore : 4.78
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  1.46 %
    Favored  : 98.54 %
  Rotamer:
    Outliers :  4.31 %
    Allowed  : 12.91 %
    Favored  : 82.77 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  0.61 (0.09), residues: 9300
  helix:  1.42 (0.08), residues: 4500
  sheet: -1.98 (0.10), residues: 2280
  loop :  1.35 (0.13), residues: 2520

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.005   0.001   TRP u 125 
 HIS   0.005   0.001   HIS L 146 
 PHE   0.008   0.002   PHE U  95 
 TYR   0.008   0.001   TYR A 114 
 ARG   0.004   0.000   ARG 3  94 

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

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

  18600 Ramachandran restraints generated.
    9300 Oldfield, 0 Emsley, 9300 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  18600 Ramachandran restraints generated.
    9300 Oldfield, 0 Emsley, 9300 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  2080 residues out of total 7140 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 308
    poor density    : 1772
  time to evaluate  : 5.855 
Fit side-chains
REVERT: B   74 ARG cc_start: 0.8694 (OUTLIER) cc_final: 0.8459 (ttm170)
REVERT: B  112 LYS cc_start: 0.8857 (OUTLIER) cc_final: 0.8399 (tptp)
REVERT: B  193 ASP cc_start: 0.8057 (OUTLIER) cc_final: 0.7841 (t0)
REVERT: B  208 LYS cc_start: 0.8992 (OUTLIER) cc_final: 0.8300 (tptm)
REVERT: B  211 GLU cc_start: 0.8540 (mt-10) cc_final: 0.8250 (mt-10)
REVERT: B  218 GLU cc_start: 0.8712 (OUTLIER) cc_final: 0.8474 (tt0)
REVERT: B  228 GLN cc_start: 0.6135 (OUTLIER) cc_final: 0.5686 (mt0)
REVERT: C  105 GLU cc_start: 0.8645 (mm-30) cc_final: 0.8388 (mm-30)
REVERT: C  144 LYS cc_start: 0.8935 (mtmm) cc_final: 0.8532 (mtmm)
REVERT: C  192 GLU cc_start: 0.8856 (OUTLIER) cc_final: 0.8462 (mm-30)
REVERT: D  105 GLU cc_start: 0.8642 (mm-30) cc_final: 0.8385 (mm-30)
REVERT: D  144 LYS cc_start: 0.8937 (mtmm) cc_final: 0.8535 (mtmm)
REVERT: D  192 GLU cc_start: 0.8856 (OUTLIER) cc_final: 0.8464 (mm-30)
REVERT: E  105 GLU cc_start: 0.8393 (OUTLIER) cc_final: 0.7930 (mp0)
REVERT: E  131 GLU cc_start: 0.8589 (mp0) cc_final: 0.8197 (mm-30)
REVERT: E  167 ASN cc_start: 0.8519 (m110) cc_final: 0.8109 (m110)
REVERT: E  175 SER cc_start: 0.8874 (m) cc_final: 0.8599 (t)
REVERT: E  211 GLU cc_start: 0.8546 (mt-10) cc_final: 0.8226 (mt-10)
REVERT: F  105 GLU cc_start: 0.8383 (OUTLIER) cc_final: 0.8144 (mp0)
REVERT: F  112 LYS cc_start: 0.9097 (OUTLIER) cc_final: 0.8728 (tttm)
REVERT: F  131 GLU cc_start: 0.8585 (mp0) cc_final: 0.8220 (mp0)
REVERT: F  192 GLU cc_start: 0.8860 (OUTLIER) cc_final: 0.8220 (mp0)
REVERT: F  196 GLN cc_start: 0.8720 (mt0) cc_final: 0.8405 (mt0)
REVERT: F  219 MET cc_start: 0.9128 (mmm) cc_final: 0.8819 (mmp)
REVERT: G   74 ARG cc_start: 0.8703 (OUTLIER) cc_final: 0.8466 (ttm170)
REVERT: G  112 LYS cc_start: 0.8854 (OUTLIER) cc_final: 0.8398 (tptp)
REVERT: G  208 LYS cc_start: 0.8997 (OUTLIER) cc_final: 0.8316 (tptm)
REVERT: G  211 GLU cc_start: 0.8538 (mt-10) cc_final: 0.8252 (mt-10)
REVERT: G  218 GLU cc_start: 0.8729 (OUTLIER) cc_final: 0.8486 (tt0)
REVERT: G  228 GLN cc_start: 0.6127 (OUTLIER) cc_final: 0.5678 (mt0)
REVERT: H  105 GLU cc_start: 0.8401 (OUTLIER) cc_final: 0.7944 (mp0)
REVERT: H  131 GLU cc_start: 0.8609 (mp0) cc_final: 0.8221 (mm-30)
REVERT: H  167 ASN cc_start: 0.8515 (m110) cc_final: 0.8094 (m110)
REVERT: H  175 SER cc_start: 0.8865 (m) cc_final: 0.8588 (t)
REVERT: H  211 GLU cc_start: 0.8577 (mt-10) cc_final: 0.8270 (mt-10)
REVERT: I   74 ARG cc_start: 0.8718 (OUTLIER) cc_final: 0.8468 (ttm170)
REVERT: I  112 LYS cc_start: 0.8844 (OUTLIER) cc_final: 0.8389 (tptp)
REVERT: I  193 ASP cc_start: 0.8065 (OUTLIER) cc_final: 0.7860 (t0)
REVERT: I  208 LYS cc_start: 0.8979 (OUTLIER) cc_final: 0.8300 (tptm)
REVERT: I  211 GLU cc_start: 0.8527 (mt-10) cc_final: 0.8228 (mt-10)
REVERT: I  228 GLN cc_start: 0.6180 (OUTLIER) cc_final: 0.5709 (mt0)
REVERT: J  105 GLU cc_start: 0.8627 (mm-30) cc_final: 0.8370 (mm-30)
REVERT: J  144 LYS cc_start: 0.8919 (mtmm) cc_final: 0.8518 (mtmm)
REVERT: J  192 GLU cc_start: 0.8862 (OUTLIER) cc_final: 0.8472 (mm-30)
REVERT: K  105 GLU cc_start: 0.8392 (OUTLIER) cc_final: 0.8156 (mp0)
REVERT: K  112 LYS cc_start: 0.9118 (OUTLIER) cc_final: 0.8750 (tttm)
REVERT: K  131 GLU cc_start: 0.8591 (mp0) cc_final: 0.8231 (mp0)
REVERT: K  192 GLU cc_start: 0.8888 (OUTLIER) cc_final: 0.8243 (mp0)
REVERT: K  196 GLN cc_start: 0.8650 (mt0) cc_final: 0.8351 (mt0)
REVERT: K  218 GLU cc_start: 0.8745 (OUTLIER) cc_final: 0.8459 (tt0)
REVERT: K  219 MET cc_start: 0.9209 (mmm) cc_final: 0.8980 (mmp)
REVERT: L  105 GLU cc_start: 0.8407 (OUTLIER) cc_final: 0.7952 (mp0)
REVERT: L  131 GLU cc_start: 0.8614 (mp0) cc_final: 0.8226 (mm-30)
REVERT: L  167 ASN cc_start: 0.8523 (m110) cc_final: 0.8104 (m110)
REVERT: L  175 SER cc_start: 0.8876 (m) cc_final: 0.8609 (t)
REVERT: L  211 GLU cc_start: 0.8575 (mt-10) cc_final: 0.8261 (mt-10)
REVERT: L  218 GLU cc_start: 0.8781 (OUTLIER) cc_final: 0.8530 (tt0)
REVERT: L  219 MET cc_start: 0.9131 (mmm) cc_final: 0.8919 (mmp)
REVERT: M  105 GLU cc_start: 0.8382 (OUTLIER) cc_final: 0.8143 (mp0)
REVERT: M  112 LYS cc_start: 0.9102 (OUTLIER) cc_final: 0.8727 (tttm)
REVERT: M  131 GLU cc_start: 0.8632 (mp0) cc_final: 0.8213 (mp0)
REVERT: M  192 GLU cc_start: 0.8876 (OUTLIER) cc_final: 0.8233 (mp0)
REVERT: M  196 GLN cc_start: 0.8653 (mt0) cc_final: 0.8355 (mt0)
REVERT: M  218 GLU cc_start: 0.8749 (OUTLIER) cc_final: 0.8461 (tt0)
REVERT: M  219 MET cc_start: 0.9203 (mmm) cc_final: 0.8972 (mmp)
REVERT: N  105 GLU cc_start: 0.8409 (OUTLIER) cc_final: 0.7947 (mp0)
REVERT: N  131 GLU cc_start: 0.8601 (mp0) cc_final: 0.8211 (mm-30)
REVERT: N  167 ASN cc_start: 0.8537 (m110) cc_final: 0.8127 (m110)
REVERT: N  175 SER cc_start: 0.8880 (m) cc_final: 0.8605 (t)
REVERT: N  211 GLU cc_start: 0.8567 (mt-10) cc_final: 0.8255 (mt-10)
REVERT: O  105 GLU cc_start: 0.8398 (OUTLIER) cc_final: 0.8159 (mp0)
REVERT: O  112 LYS cc_start: 0.9097 (OUTLIER) cc_final: 0.8722 (tttm)
REVERT: O  131 GLU cc_start: 0.8586 (mp0) cc_final: 0.8227 (mp0)
REVERT: O  192 GLU cc_start: 0.8881 (OUTLIER) cc_final: 0.8236 (mp0)
REVERT: O  196 GLN cc_start: 0.8653 (mt0) cc_final: 0.8354 (mt0)
REVERT: O  218 GLU cc_start: 0.8735 (OUTLIER) cc_final: 0.8451 (tt0)
REVERT: O  219 MET cc_start: 0.9192 (mmm) cc_final: 0.8960 (mmp)
REVERT: P   74 ARG cc_start: 0.8698 (OUTLIER) cc_final: 0.8461 (ttm170)
REVERT: P  112 LYS cc_start: 0.8848 (OUTLIER) cc_final: 0.8391 (tptp)
REVERT: P  208 LYS cc_start: 0.8994 (OUTLIER) cc_final: 0.8297 (tptm)
REVERT: P  211 GLU cc_start: 0.8518 (mt-10) cc_final: 0.8219 (mt-10)
REVERT: P  218 GLU cc_start: 0.8716 (OUTLIER) cc_final: 0.8469 (tt0)
REVERT: P  228 GLN cc_start: 0.6135 (OUTLIER) cc_final: 0.5690 (mt0)
REVERT: Q  105 GLU cc_start: 0.8414 (OUTLIER) cc_final: 0.8175 (mp0)
REVERT: Q  112 LYS cc_start: 0.9105 (OUTLIER) cc_final: 0.8738 (tttm)
REVERT: Q  131 GLU cc_start: 0.8590 (mp0) cc_final: 0.8234 (mp0)
REVERT: Q  192 GLU cc_start: 0.8867 (OUTLIER) cc_final: 0.8218 (mp0)
REVERT: Q  196 GLN cc_start: 0.8654 (mt0) cc_final: 0.8355 (mt0)
REVERT: Q  218 GLU cc_start: 0.8747 (OUTLIER) cc_final: 0.8465 (tt0)
REVERT: Q  219 MET cc_start: 0.9193 (mmm) cc_final: 0.8963 (mmp)
REVERT: R  105 GLU cc_start: 0.8401 (OUTLIER) cc_final: 0.7944 (mp0)
REVERT: R  131 GLU cc_start: 0.8600 (mp0) cc_final: 0.8210 (mm-30)
REVERT: R  167 ASN cc_start: 0.8519 (m110) cc_final: 0.8108 (m110)
REVERT: R  175 SER cc_start: 0.8868 (m) cc_final: 0.8595 (t)
REVERT: R  211 GLU cc_start: 0.8545 (mt-10) cc_final: 0.8215 (mt-10)
REVERT: R  218 GLU cc_start: 0.8797 (OUTLIER) cc_final: 0.8550 (tt0)
REVERT: R  219 MET cc_start: 0.9133 (mmm) cc_final: 0.8924 (mmp)
REVERT: S  105 GLU cc_start: 0.8642 (mm-30) cc_final: 0.8384 (mm-30)
REVERT: S  144 LYS cc_start: 0.8938 (mtmm) cc_final: 0.8535 (mtmm)
REVERT: S  192 GLU cc_start: 0.8856 (OUTLIER) cc_final: 0.8462 (mm-30)
REVERT: T  105 GLU cc_start: 0.8626 (mm-30) cc_final: 0.8368 (mm-30)
REVERT: T  144 LYS cc_start: 0.8943 (mtmm) cc_final: 0.8539 (mtmm)
REVERT: T  192 GLU cc_start: 0.8873 (OUTLIER) cc_final: 0.8488 (mm-30)
REVERT: U  105 GLU cc_start: 0.8379 (OUTLIER) cc_final: 0.8140 (mp0)
REVERT: U  112 LYS cc_start: 0.9111 (OUTLIER) cc_final: 0.8746 (tttm)
REVERT: U  131 GLU cc_start: 0.8586 (mp0) cc_final: 0.8226 (mp0)
REVERT: U  192 GLU cc_start: 0.8873 (OUTLIER) cc_final: 0.8225 (mp0)
REVERT: U  196 GLN cc_start: 0.8725 (mt0) cc_final: 0.8411 (mt0)
REVERT: U  218 GLU cc_start: 0.8754 (OUTLIER) cc_final: 0.8469 (tt0)
REVERT: U  219 MET cc_start: 0.9190 (mmm) cc_final: 0.8956 (mmp)
REVERT: V  105 GLU cc_start: 0.8409 (OUTLIER) cc_final: 0.7946 (mp0)
REVERT: V  131 GLU cc_start: 0.8594 (mp0) cc_final: 0.8203 (mm-30)
REVERT: V  167 ASN cc_start: 0.8523 (m110) cc_final: 0.8110 (m110)
REVERT: V  175 SER cc_start: 0.8874 (m) cc_final: 0.8600 (t)
REVERT: V  211 GLU cc_start: 0.8553 (mt-10) cc_final: 0.8230 (mt-10)
REVERT: W   74 ARG cc_start: 0.8694 (OUTLIER) cc_final: 0.8450 (ttm170)
REVERT: W  112 LYS cc_start: 0.8850 (OUTLIER) cc_final: 0.8394 (tptp)
REVERT: W  208 LYS cc_start: 0.8994 (OUTLIER) cc_final: 0.8299 (tptm)
REVERT: W  211 GLU cc_start: 0.8560 (mt-10) cc_final: 0.8269 (mt-10)
REVERT: W  218 GLU cc_start: 0.8721 (OUTLIER) cc_final: 0.8474 (tt0)
REVERT: W  228 GLN cc_start: 0.6129 (OUTLIER) cc_final: 0.5687 (mt0)
REVERT: X   74 ARG cc_start: 0.8702 (OUTLIER) cc_final: 0.8467 (ttm170)
REVERT: X  112 LYS cc_start: 0.8871 (OUTLIER) cc_final: 0.8420 (tptp)
REVERT: X  193 ASP cc_start: 0.8046 (OUTLIER) cc_final: 0.7839 (t0)
REVERT: X  208 LYS cc_start: 0.8996 (OUTLIER) cc_final: 0.8299 (tptm)
REVERT: X  211 GLU cc_start: 0.8575 (mt-10) cc_final: 0.8293 (mt-10)
REVERT: X  218 GLU cc_start: 0.8712 (OUTLIER) cc_final: 0.8468 (tt0)
REVERT: X  228 GLN cc_start: 0.6136 (OUTLIER) cc_final: 0.5696 (mt0)
REVERT: Y  105 GLU cc_start: 0.8631 (mm-30) cc_final: 0.8377 (mm-30)
REVERT: Y  144 LYS cc_start: 0.8926 (mtmm) cc_final: 0.8525 (mtmm)
REVERT: Y  192 GLU cc_start: 0.8847 (OUTLIER) cc_final: 0.8456 (mm-30)
REVERT: 3  105 GLU cc_start: 0.8403 (OUTLIER) cc_final: 0.8171 (mp0)
REVERT: 3  112 LYS cc_start: 0.9110 (OUTLIER) cc_final: 0.8737 (tttm)
REVERT: 3  131 GLU cc_start: 0.8633 (mp0) cc_final: 0.8208 (mp0)
REVERT: 3  192 GLU cc_start: 0.8877 (OUTLIER) cc_final: 0.8240 (mp0)
REVERT: 3  196 GLN cc_start: 0.8666 (mt0) cc_final: 0.8366 (mt0)
REVERT: 3  218 GLU cc_start: 0.8744 (OUTLIER) cc_final: 0.8458 (tt0)
REVERT: 3  219 MET cc_start: 0.9217 (mmm) cc_final: 0.8993 (mmp)
REVERT: 4   74 ARG cc_start: 0.8723 (OUTLIER) cc_final: 0.8474 (ttm170)
REVERT: 4  112 LYS cc_start: 0.8849 (OUTLIER) cc_final: 0.8396 (tptp)
REVERT: 4  193 ASP cc_start: 0.8059 (OUTLIER) cc_final: 0.7851 (t0)
REVERT: 4  208 LYS cc_start: 0.8995 (OUTLIER) cc_final: 0.8312 (tptm)
REVERT: 4  211 GLU cc_start: 0.8518 (mt-10) cc_final: 0.8223 (mt-10)
REVERT: 4  228 GLN cc_start: 0.6183 (OUTLIER) cc_final: 0.5712 (mt0)
REVERT: 5  105 GLU cc_start: 0.8627 (mm-30) cc_final: 0.8372 (mm-30)
REVERT: 5  144 LYS cc_start: 0.8925 (mtmm) cc_final: 0.8524 (mtmm)
REVERT: 5  192 GLU cc_start: 0.8843 (OUTLIER) cc_final: 0.8466 (mm-30)
REVERT: 6  105 GLU cc_start: 0.8409 (OUTLIER) cc_final: 0.7948 (mp0)
REVERT: 6  131 GLU cc_start: 0.8602 (mp0) cc_final: 0.8212 (mm-30)
REVERT: 6  167 ASN cc_start: 0.8517 (m110) cc_final: 0.8106 (m110)
REVERT: 6  175 SER cc_start: 0.8871 (m) cc_final: 0.8596 (t)
REVERT: 6  211 GLU cc_start: 0.8544 (mt-10) cc_final: 0.8223 (mt-10)
REVERT: 7  105 GLU cc_start: 0.8393 (OUTLIER) cc_final: 0.8159 (mp0)
REVERT: 7  112 LYS cc_start: 0.9105 (OUTLIER) cc_final: 0.8739 (tttm)
REVERT: 7  131 GLU cc_start: 0.8626 (mp0) cc_final: 0.8209 (mp0)
REVERT: 7  192 GLU cc_start: 0.8869 (OUTLIER) cc_final: 0.8229 (mp0)
REVERT: 7  196 GLN cc_start: 0.8670 (mt0) cc_final: 0.8371 (mt0)
REVERT: 7  219 MET cc_start: 0.9133 (mmm) cc_final: 0.8824 (mmp)
REVERT: 8  105 GLU cc_start: 0.8424 (OUTLIER) cc_final: 0.7974 (mp0)
REVERT: 8  131 GLU cc_start: 0.8594 (mp0) cc_final: 0.8203 (mm-30)
REVERT: 8  167 ASN cc_start: 0.8517 (m110) cc_final: 0.8104 (m110)
REVERT: 8  175 SER cc_start: 0.8887 (m) cc_final: 0.8617 (t)
REVERT: 8  211 GLU cc_start: 0.8567 (mt-10) cc_final: 0.8252 (mt-10)
REVERT: 8  218 GLU cc_start: 0.8776 (OUTLIER) cc_final: 0.8527 (tt0)
REVERT: 8  219 MET cc_start: 0.9122 (mmm) cc_final: 0.8913 (mmp)
REVERT: 9  105 GLU cc_start: 0.8380 (OUTLIER) cc_final: 0.8145 (mp0)
REVERT: 9  112 LYS cc_start: 0.9112 (OUTLIER) cc_final: 0.8749 (tttm)
REVERT: 9  131 GLU cc_start: 0.8626 (mp0) cc_final: 0.8196 (mp0)
REVERT: 9  192 GLU cc_start: 0.8880 (OUTLIER) cc_final: 0.8233 (mp0)
REVERT: 9  196 GLN cc_start: 0.8655 (mt0) cc_final: 0.8359 (mt0)
REVERT: 9  218 GLU cc_start: 0.8751 (OUTLIER) cc_final: 0.8464 (tt0)
REVERT: 9  219 MET cc_start: 0.9200 (mmm) cc_final: 0.8966 (mmp)
REVERT: a  105 GLU cc_start: 0.8633 (mm-30) cc_final: 0.8376 (mm-30)
REVERT: a  144 LYS cc_start: 0.8937 (mtmm) cc_final: 0.8534 (mtmm)
REVERT: a  192 GLU cc_start: 0.8858 (OUTLIER) cc_final: 0.8461 (mm-30)
REVERT: b   74 ARG cc_start: 0.8725 (OUTLIER) cc_final: 0.8473 (ttm170)
REVERT: b  112 LYS cc_start: 0.8858 (OUTLIER) cc_final: 0.8409 (tptp)
REVERT: b  208 LYS cc_start: 0.8990 (OUTLIER) cc_final: 0.8301 (tptm)
REVERT: b  211 GLU cc_start: 0.8516 (mt-10) cc_final: 0.8224 (mt-10)
REVERT: b  228 GLN cc_start: 0.6172 (OUTLIER) cc_final: 0.5701 (mt0)
REVERT: c  105 GLU cc_start: 0.8407 (OUTLIER) cc_final: 0.7949 (mp0)
REVERT: c  131 GLU cc_start: 0.8597 (mp0) cc_final: 0.8195 (mm-30)
REVERT: c  167 ASN cc_start: 0.8505 (m110) cc_final: 0.8091 (m110)
REVERT: c  175 SER cc_start: 0.8885 (m) cc_final: 0.8611 (t)
REVERT: c  211 GLU cc_start: 0.8537 (mt-10) cc_final: 0.8226 (mt-10)
REVERT: h   74 ARG cc_start: 0.8713 (OUTLIER) cc_final: 0.8453 (ttm170)
REVERT: h  112 LYS cc_start: 0.8861 (OUTLIER) cc_final: 0.8405 (tptp)
REVERT: h  193 ASP cc_start: 0.8039 (OUTLIER) cc_final: 0.7831 (t0)
REVERT: h  208 LYS cc_start: 0.8983 (OUTLIER) cc_final: 0.8294 (tptm)
REVERT: h  211 GLU cc_start: 0.8513 (mt-10) cc_final: 0.8217 (mt-10)
REVERT: h  228 GLN cc_start: 0.6181 (OUTLIER) cc_final: 0.5717 (mt0)
REVERT: i  105 GLU cc_start: 0.8632 (mm-30) cc_final: 0.8374 (mm-30)
REVERT: i  144 LYS cc_start: 0.8944 (mtmm) cc_final: 0.8541 (mtmm)
REVERT: i  192 GLU cc_start: 0.8863 (OUTLIER) cc_final: 0.8478 (mm-30)
REVERT: j  105 GLU cc_start: 0.8631 (mm-30) cc_final: 0.8372 (mm-30)
REVERT: j  144 LYS cc_start: 0.8944 (mtmm) cc_final: 0.8546 (mtmm)
REVERT: j  192 GLU cc_start: 0.8835 (OUTLIER) cc_final: 0.8442 (mm-30)
REVERT: k   74 ARG cc_start: 0.8721 (OUTLIER) cc_final: 0.8474 (ttm170)
REVERT: k  112 LYS cc_start: 0.8862 (OUTLIER) cc_final: 0.8415 (tptp)
REVERT: k  193 ASP cc_start: 0.8076 (OUTLIER) cc_final: 0.7851 (t0)
REVERT: k  208 LYS cc_start: 0.8991 (OUTLIER) cc_final: 0.8300 (tptm)
REVERT: k  211 GLU cc_start: 0.8529 (mt-10) cc_final: 0.8237 (mt-10)
REVERT: k  228 GLN cc_start: 0.6188 (OUTLIER) cc_final: 0.5716 (mt0)
REVERT: l   74 ARG cc_start: 0.8713 (OUTLIER) cc_final: 0.8459 (ttm170)
REVERT: l  112 LYS cc_start: 0.8864 (OUTLIER) cc_final: 0.8413 (tptp)
REVERT: l  208 LYS cc_start: 0.8978 (OUTLIER) cc_final: 0.8289 (tptm)
REVERT: l  211 GLU cc_start: 0.8499 (mt-10) cc_final: 0.8190 (mt-10)
REVERT: l  228 GLN cc_start: 0.6189 (OUTLIER) cc_final: 0.5720 (mt0)
REVERT: m  105 GLU cc_start: 0.8640 (mm-30) cc_final: 0.8382 (mm-30)
REVERT: m  144 LYS cc_start: 0.8941 (mtmm) cc_final: 0.8539 (mtmm)
REVERT: m  192 GLU cc_start: 0.8836 (OUTLIER) cc_final: 0.8444 (mm-30)
REVERT: o  105 GLU cc_start: 0.8413 (OUTLIER) cc_final: 0.7956 (mp0)
REVERT: o  131 GLU cc_start: 0.8599 (mp0) cc_final: 0.8206 (mm-30)
REVERT: o  167 ASN cc_start: 0.8506 (m110) cc_final: 0.8090 (m110)
REVERT: o  175 SER cc_start: 0.8873 (m) cc_final: 0.8595 (t)
REVERT: o  211 GLU cc_start: 0.8553 (mt-10) cc_final: 0.8237 (mt-10)
REVERT: o  218 GLU cc_start: 0.8796 (OUTLIER) cc_final: 0.8547 (tt0)
REVERT: o  219 MET cc_start: 0.9115 (mmm) cc_final: 0.8904 (mmp)
REVERT: p  105 GLU cc_start: 0.8403 (OUTLIER) cc_final: 0.8168 (mp0)
REVERT: p  112 LYS cc_start: 0.9098 (OUTLIER) cc_final: 0.8722 (tttm)
REVERT: p  131 GLU cc_start: 0.8619 (mp0) cc_final: 0.8197 (mp0)
REVERT: p  192 GLU cc_start: 0.8863 (OUTLIER) cc_final: 0.8209 (mp0)
REVERT: p  196 GLN cc_start: 0.8728 (mt0) cc_final: 0.8416 (mt0)
REVERT: p  219 MET cc_start: 0.9136 (mmm) cc_final: 0.8828 (mmp)
REVERT: q  105 GLU cc_start: 0.8414 (OUTLIER) cc_final: 0.7951 (mp0)
REVERT: q  131 GLU cc_start: 0.8604 (mp0) cc_final: 0.8199 (mm-30)
REVERT: q  167 ASN cc_start: 0.8503 (m-40) cc_final: 0.8124 (m110)
REVERT: q  175 SER cc_start: 0.8877 (m) cc_final: 0.8605 (t)
REVERT: q  211 GLU cc_start: 0.8547 (mt-10) cc_final: 0.8233 (mt-10)
REVERT: r  105 GLU cc_start: 0.8374 (OUTLIER) cc_final: 0.8139 (mp0)
REVERT: r  112 LYS cc_start: 0.9110 (OUTLIER) cc_final: 0.8737 (tttm)
REVERT: r  131 GLU cc_start: 0.8626 (mp0) cc_final: 0.8196 (mp0)
REVERT: r  192 GLU cc_start: 0.8860 (OUTLIER) cc_final: 0.8215 (mp0)
REVERT: r  196 GLN cc_start: 0.8726 (mt0) cc_final: 0.8415 (mt0)
REVERT: r  219 MET cc_start: 0.9144 (mmm) cc_final: 0.8839 (mmp)
REVERT: u   74 ARG cc_start: 0.8723 (OUTLIER) cc_final: 0.8467 (ttm170)
REVERT: u  112 LYS cc_start: 0.8851 (OUTLIER) cc_final: 0.8400 (tptp)
REVERT: u  208 LYS cc_start: 0.8979 (OUTLIER) cc_final: 0.8296 (tptm)
REVERT: u  211 GLU cc_start: 0.8526 (mt-10) cc_final: 0.8231 (mt-10)
REVERT: u  228 GLN cc_start: 0.6161 (OUTLIER) cc_final: 0.5698 (mt0)
REVERT: v  105 GLU cc_start: 0.8631 (mm-30) cc_final: 0.8374 (mm-30)
REVERT: v  144 LYS cc_start: 0.8942 (mtmm) cc_final: 0.8541 (mtmm)
REVERT: v  192 GLU cc_start: 0.8832 (OUTLIER) cc_final: 0.8442 (mm-30)
REVERT: w  105 GLU cc_start: 0.8419 (OUTLIER) cc_final: 0.7960 (mp0)
REVERT: w  131 GLU cc_start: 0.8607 (mp0) cc_final: 0.8218 (mm-30)
REVERT: w  167 ASN cc_start: 0.8517 (m110) cc_final: 0.8095 (m110)
REVERT: w  175 SER cc_start: 0.8876 (m) cc_final: 0.8603 (t)
REVERT: w  211 GLU cc_start: 0.8574 (mt-10) cc_final: 0.8259 (mt-10)
REVERT: w  218 GLU cc_start: 0.8798 (OUTLIER) cc_final: 0.8551 (tt0)
REVERT: w  219 MET cc_start: 0.9145 (mmm) cc_final: 0.8933 (mmp)
REVERT: x  105 GLU cc_start: 0.8396 (OUTLIER) cc_final: 0.8160 (mp0)
REVERT: x  112 LYS cc_start: 0.9109 (OUTLIER) cc_final: 0.8748 (tttm)
REVERT: x  131 GLU cc_start: 0.8629 (mp0) cc_final: 0.8211 (mp0)
REVERT: x  192 GLU cc_start: 0.8841 (OUTLIER) cc_final: 0.8192 (mp0)
REVERT: x  196 GLN cc_start: 0.8670 (mt0) cc_final: 0.8370 (mt0)
REVERT: x  219 MET cc_start: 0.9149 (mmm) cc_final: 0.8844 (mmp)
  outliers start: 308
  outliers final: 134
  residues processed: 1897
  average time/residue: 1.8420
  time to fit residues: 4353.9366
Evaluate side-chains
  2010 residues out of total 7140 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 265
    poor density    : 1745
  time to evaluate  : 5.772 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   92 VAL
Chi-restraints excluded: chain B residue   74 ARG
Chi-restraints excluded: chain B residue  112 LYS
Chi-restraints excluded: chain B residue  178 LEU
Chi-restraints excluded: chain B residue  193 ASP
Chi-restraints excluded: chain B residue  208 LYS
Chi-restraints excluded: chain B residue  218 GLU
Chi-restraints excluded: chain B residue  228 GLN
Chi-restraints excluded: chain C residue  192 GLU
Chi-restraints excluded: chain D residue  192 GLU
Chi-restraints excluded: chain E residue   92 VAL
Chi-restraints excluded: chain E residue  105 GLU
Chi-restraints excluded: chain E residue  112 LYS
Chi-restraints excluded: chain E residue  193 ASP
Chi-restraints excluded: chain F residue   92 VAL
Chi-restraints excluded: chain F residue  105 GLU
Chi-restraints excluded: chain F residue  112 LYS
Chi-restraints excluded: chain F residue  171 SER
Chi-restraints excluded: chain F residue  178 LEU
Chi-restraints excluded: chain F residue  190 THR
Chi-restraints excluded: chain F residue  192 GLU
Chi-restraints excluded: chain F residue  193 ASP
Chi-restraints excluded: chain F residue  224 GLU
Chi-restraints excluded: chain G residue   74 ARG
Chi-restraints excluded: chain G residue  112 LYS
Chi-restraints excluded: chain G residue  178 LEU
Chi-restraints excluded: chain G residue  208 LYS
Chi-restraints excluded: chain G residue  218 GLU
Chi-restraints excluded: chain G residue  228 GLN
Chi-restraints excluded: chain H residue   92 VAL
Chi-restraints excluded: chain H residue  105 GLU
Chi-restraints excluded: chain H residue  112 LYS
Chi-restraints excluded: chain H residue  193 ASP
Chi-restraints excluded: chain I residue   74 ARG
Chi-restraints excluded: chain I residue  112 LYS
Chi-restraints excluded: chain I residue  178 LEU
Chi-restraints excluded: chain I residue  193 ASP
Chi-restraints excluded: chain I residue  208 LYS
Chi-restraints excluded: chain I residue  228 GLN
Chi-restraints excluded: chain J residue  192 GLU
Chi-restraints excluded: chain K residue   92 VAL
Chi-restraints excluded: chain K residue  105 GLU
Chi-restraints excluded: chain K residue  112 LYS
Chi-restraints excluded: chain K residue  171 SER
Chi-restraints excluded: chain K residue  178 LEU
Chi-restraints excluded: chain K residue  190 THR
Chi-restraints excluded: chain K residue  192 GLU
Chi-restraints excluded: chain K residue  193 ASP
Chi-restraints excluded: chain K residue  218 GLU
Chi-restraints excluded: chain K residue  224 GLU
Chi-restraints excluded: chain L residue   92 VAL
Chi-restraints excluded: chain L residue  105 GLU
Chi-restraints excluded: chain L residue  112 LYS
Chi-restraints excluded: chain L residue  193 ASP
Chi-restraints excluded: chain L residue  218 GLU
Chi-restraints excluded: chain M residue   92 VAL
Chi-restraints excluded: chain M residue  105 GLU
Chi-restraints excluded: chain M residue  112 LYS
Chi-restraints excluded: chain M residue  171 SER
Chi-restraints excluded: chain M residue  178 LEU
Chi-restraints excluded: chain M residue  190 THR
Chi-restraints excluded: chain M residue  192 GLU
Chi-restraints excluded: chain M residue  193 ASP
Chi-restraints excluded: chain M residue  218 GLU
Chi-restraints excluded: chain M residue  224 GLU
Chi-restraints excluded: chain N residue   92 VAL
Chi-restraints excluded: chain N residue  105 GLU
Chi-restraints excluded: chain N residue  112 LYS
Chi-restraints excluded: chain N residue  193 ASP
Chi-restraints excluded: chain O residue   92 VAL
Chi-restraints excluded: chain O residue  105 GLU
Chi-restraints excluded: chain O residue  112 LYS
Chi-restraints excluded: chain O residue  171 SER
Chi-restraints excluded: chain O residue  178 LEU
Chi-restraints excluded: chain O residue  190 THR
Chi-restraints excluded: chain O residue  192 GLU
Chi-restraints excluded: chain O residue  193 ASP
Chi-restraints excluded: chain O residue  218 GLU
Chi-restraints excluded: chain P residue   74 ARG
Chi-restraints excluded: chain P residue  112 LYS
Chi-restraints excluded: chain P residue  178 LEU
Chi-restraints excluded: chain P residue  208 LYS
Chi-restraints excluded: chain P residue  218 GLU
Chi-restraints excluded: chain P residue  228 GLN
Chi-restraints excluded: chain Q residue   92 VAL
Chi-restraints excluded: chain Q residue  105 GLU
Chi-restraints excluded: chain Q residue  112 LYS
Chi-restraints excluded: chain Q residue  171 SER
Chi-restraints excluded: chain Q residue  178 LEU
Chi-restraints excluded: chain Q residue  190 THR
Chi-restraints excluded: chain Q residue  192 GLU
Chi-restraints excluded: chain Q residue  193 ASP
Chi-restraints excluded: chain Q residue  218 GLU
Chi-restraints excluded: chain R residue   92 VAL
Chi-restraints excluded: chain R residue  105 GLU
Chi-restraints excluded: chain R residue  112 LYS
Chi-restraints excluded: chain R residue  194 MET
Chi-restraints excluded: chain R residue  218 GLU
Chi-restraints excluded: chain S residue  192 GLU
Chi-restraints excluded: chain T residue  192 GLU
Chi-restraints excluded: chain U residue   92 VAL
Chi-restraints excluded: chain U residue  105 GLU
Chi-restraints excluded: chain U residue  112 LYS
Chi-restraints excluded: chain U residue  171 SER
Chi-restraints excluded: chain U residue  178 LEU
Chi-restraints excluded: chain U residue  190 THR
Chi-restraints excluded: chain U residue  192 GLU
Chi-restraints excluded: chain U residue  193 ASP
Chi-restraints excluded: chain U residue  218 GLU
Chi-restraints excluded: chain U residue  224 GLU
Chi-restraints excluded: chain V residue   92 VAL
Chi-restraints excluded: chain V residue  105 GLU
Chi-restraints excluded: chain V residue  112 LYS
Chi-restraints excluded: chain V residue  194 MET
Chi-restraints excluded: chain W residue   74 ARG
Chi-restraints excluded: chain W residue  112 LYS
Chi-restraints excluded: chain W residue  178 LEU
Chi-restraints excluded: chain W residue  208 LYS
Chi-restraints excluded: chain W residue  218 GLU
Chi-restraints excluded: chain W residue  228 GLN
Chi-restraints excluded: chain X residue   74 ARG
Chi-restraints excluded: chain X residue  112 LYS
Chi-restraints excluded: chain X residue  178 LEU
Chi-restraints excluded: chain X residue  193 ASP
Chi-restraints excluded: chain X residue  208 LYS
Chi-restraints excluded: chain X residue  218 GLU
Chi-restraints excluded: chain X residue  228 GLN
Chi-restraints excluded: chain Y residue  192 GLU
Chi-restraints excluded: chain Z residue   92 VAL
Chi-restraints excluded: chain Z residue  178 LEU
Chi-restraints excluded: chain 0 residue   92 VAL
Chi-restraints excluded: chain 1 residue   92 VAL
Chi-restraints excluded: chain 2 residue   92 VAL
Chi-restraints excluded: chain 3 residue   92 VAL
Chi-restraints excluded: chain 3 residue  105 GLU
Chi-restraints excluded: chain 3 residue  112 LYS
Chi-restraints excluded: chain 3 residue  171 SER
Chi-restraints excluded: chain 3 residue  178 LEU
Chi-restraints excluded: chain 3 residue  190 THR
Chi-restraints excluded: chain 3 residue  192 GLU
Chi-restraints excluded: chain 3 residue  193 ASP
Chi-restraints excluded: chain 3 residue  218 GLU
Chi-restraints excluded: chain 3 residue  224 GLU
Chi-restraints excluded: chain 4 residue   74 ARG
Chi-restraints excluded: chain 4 residue  112 LYS
Chi-restraints excluded: chain 4 residue  178 LEU
Chi-restraints excluded: chain 4 residue  193 ASP
Chi-restraints excluded: chain 4 residue  208 LYS
Chi-restraints excluded: chain 4 residue  228 GLN
Chi-restraints excluded: chain 5 residue  192 GLU
Chi-restraints excluded: chain 6 residue   92 VAL
Chi-restraints excluded: chain 6 residue  105 GLU
Chi-restraints excluded: chain 6 residue  112 LYS
Chi-restraints excluded: chain 6 residue  193 ASP
Chi-restraints excluded: chain 7 residue   92 VAL
Chi-restraints excluded: chain 7 residue  105 GLU
Chi-restraints excluded: chain 7 residue  112 LYS
Chi-restraints excluded: chain 7 residue  171 SER
Chi-restraints excluded: chain 7 residue  178 LEU
Chi-restraints excluded: chain 7 residue  190 THR
Chi-restraints excluded: chain 7 residue  192 GLU
Chi-restraints excluded: chain 7 residue  193 ASP
Chi-restraints excluded: chain 7 residue  224 GLU
Chi-restraints excluded: chain 8 residue   92 VAL
Chi-restraints excluded: chain 8 residue  105 GLU
Chi-restraints excluded: chain 8 residue  112 LYS
Chi-restraints excluded: chain 8 residue  218 GLU
Chi-restraints excluded: chain 9 residue   92 VAL
Chi-restraints excluded: chain 9 residue  105 GLU
Chi-restraints excluded: chain 9 residue  112 LYS
Chi-restraints excluded: chain 9 residue  171 SER
Chi-restraints excluded: chain 9 residue  178 LEU
Chi-restraints excluded: chain 9 residue  190 THR
Chi-restraints excluded: chain 9 residue  192 GLU
Chi-restraints excluded: chain 9 residue  193 ASP
Chi-restraints excluded: chain 9 residue  218 GLU
Chi-restraints excluded: chain 9 residue  224 GLU
Chi-restraints excluded: chain a residue  192 GLU
Chi-restraints excluded: chain b residue   74 ARG
Chi-restraints excluded: chain b residue  112 LYS
Chi-restraints excluded: chain b residue  178 LEU
Chi-restraints excluded: chain b residue  208 LYS
Chi-restraints excluded: chain b residue  228 GLN
Chi-restraints excluded: chain c residue   92 VAL
Chi-restraints excluded: chain c residue  105 GLU
Chi-restraints excluded: chain c residue  112 LYS
Chi-restraints excluded: chain c residue  194 MET
Chi-restraints excluded: chain d residue   92 VAL
Chi-restraints excluded: chain d residue  178 LEU
Chi-restraints excluded: chain e residue   92 VAL
Chi-restraints excluded: chain f residue   92 VAL
Chi-restraints excluded: chain g residue   92 VAL
Chi-restraints excluded: chain g residue  178 LEU
Chi-restraints excluded: chain h residue   74 ARG
Chi-restraints excluded: chain h residue  112 LYS
Chi-restraints excluded: chain h residue  178 LEU
Chi-restraints excluded: chain h residue  193 ASP
Chi-restraints excluded: chain h residue  208 LYS
Chi-restraints excluded: chain h residue  228 GLN
Chi-restraints excluded: chain i residue  192 GLU
Chi-restraints excluded: chain j residue  192 GLU
Chi-restraints excluded: chain k residue   74 ARG
Chi-restraints excluded: chain k residue  112 LYS
Chi-restraints excluded: chain k residue  178 LEU
Chi-restraints excluded: chain k residue  193 ASP
Chi-restraints excluded: chain k residue  208 LYS
Chi-restraints excluded: chain k residue  228 GLN
Chi-restraints excluded: chain l residue   74 ARG
Chi-restraints excluded: chain l residue  112 LYS
Chi-restraints excluded: chain l residue  178 LEU
Chi-restraints excluded: chain l residue  208 LYS
Chi-restraints excluded: chain l residue  228 GLN
Chi-restraints excluded: chain m residue  192 GLU
Chi-restraints excluded: chain n residue   92 VAL
Chi-restraints excluded: chain n residue  178 LEU
Chi-restraints excluded: chain o residue   92 VAL
Chi-restraints excluded: chain o residue  105 GLU
Chi-restraints excluded: chain o residue  112 LYS
Chi-restraints excluded: chain o residue  194 MET
Chi-restraints excluded: chain o residue  218 GLU
Chi-restraints excluded: chain p residue   92 VAL
Chi-restraints excluded: chain p residue  105 GLU
Chi-restraints excluded: chain p residue  112 LYS
Chi-restraints excluded: chain p residue  171 SER
Chi-restraints excluded: chain p residue  178 LEU
Chi-restraints excluded: chain p residue  190 THR
Chi-restraints excluded: chain p residue  192 GLU
Chi-restraints excluded: chain p residue  193 ASP
Chi-restraints excluded: chain p residue  224 GLU
Chi-restraints excluded: chain q residue   92 VAL
Chi-restraints excluded: chain q residue  105 GLU
Chi-restraints excluded: chain q residue  112 LYS
Chi-restraints excluded: chain q residue  194 MET
Chi-restraints excluded: chain r residue   92 VAL
Chi-restraints excluded: chain r residue  105 GLU
Chi-restraints excluded: chain r residue  112 LYS
Chi-restraints excluded: chain r residue  171 SER
Chi-restraints excluded: chain r residue  178 LEU
Chi-restraints excluded: chain r residue  190 THR
Chi-restraints excluded: chain r residue  192 GLU
Chi-restraints excluded: chain r residue  193 ASP
Chi-restraints excluded: chain r residue  224 GLU
Chi-restraints excluded: chain s residue   92 VAL
Chi-restraints excluded: chain s residue  178 LEU
Chi-restraints excluded: chain t residue   92 VAL
Chi-restraints excluded: chain u residue   74 ARG
Chi-restraints excluded: chain u residue  112 LYS
Chi-restraints excluded: chain u residue  178 LEU
Chi-restraints excluded: chain u residue  208 LYS
Chi-restraints excluded: chain u residue  228 GLN
Chi-restraints excluded: chain v residue  192 GLU
Chi-restraints excluded: chain w residue   92 VAL
Chi-restraints excluded: chain w residue  105 GLU
Chi-restraints excluded: chain w residue  112 LYS
Chi-restraints excluded: chain w residue  194 MET
Chi-restraints excluded: chain w residue  218 GLU
Chi-restraints excluded: chain x residue   92 VAL
Chi-restraints excluded: chain x residue  105 GLU
Chi-restraints excluded: chain x residue  112 LYS
Chi-restraints excluded: chain x residue  171 SER
Chi-restraints excluded: chain x residue  178 LEU
Chi-restraints excluded: chain x residue  190 THR
Chi-restraints excluded: chain x residue  192 GLU
Chi-restraints excluded: chain x residue  193 ASP
Chi-restraints excluded: chain x residue  224 GLU
Rotamers are restrained with sigma=2.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 900
   random chunks:
   chunk 308 optimal weight:    7.9990
   chunk 867 optimal weight:    0.8980
   chunk 874 optimal weight:    0.7980
   chunk 205 optimal weight:    0.9990
   chunk 252 optimal weight:    7.9990
   chunk 822 optimal weight:    5.9990
   chunk 847 optimal weight:    5.9990
   chunk 830 optimal weight:    3.9990
   chunk 757 optimal weight:    0.0470
   chunk 377 optimal weight:    2.9990
   chunk 94 optimal weight:    6.9990
   overall best weight:    1.1482

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

Flipped N/Q/H residues before XYZ refinement:
A 196 GLN
D  96 ASN
E 179 ASN
E 196 GLN
H 167 ASN
H 179 ASN
H 196 GLN
L 179 ASN
L 196 GLN
N 179 ASN
N 196 GLN
R 167 ASN
R 179 ASN
R 196 GLN
S  96 ASN
V 179 ASN
V 196 GLN
Z 196 GLN
0 196 GLN
1 196 GLN
2 167 ASN
2 196 GLN
6 179 ASN
6 196 GLN
8 167 ASN
8 179 ASN
8 196 GLN
c 179 ASN
c 196 GLN
d 196 GLN
e 196 GLN
f 196 GLN
g 196 GLN
i  96 ASN
m  96 ASN
n 196 GLN
o 167 ASN
o 179 ASN
o 196 GLN
q 179 ASN
q 196 GLN
s 196 GLN
t 196 GLN
v  96 ASN
w 179 ASN
w 196 GLN

Total number of N/Q/H flips: 46

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3251 r_free = 0.3251 target = 0.116080 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 31)----------------|
| r_work = 0.2980 r_free = 0.2980 target = 0.096512 restraints weight = 75818.323|
|-----------------------------------------------------------------------------|
r_work (start): 0.2970 rms_B_bonded: 1.50
r_work: 0.2830 rms_B_bonded: 2.11 restraints_weight: 0.5000
r_work: 0.2683 rms_B_bonded: 3.51 restraints_weight: 0.2500
r_work (final): 0.2683
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8562
moved from start:          0.2706

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.002   0.021  70560  Z= 0.164
  Angle     :  0.405   4.928  95640  Z= 0.223
  Chirality :  0.046   0.133  11220
  Planarity :  0.004   0.037  12480
  Dihedral  :  4.749  85.653  10116
  Min Nonbonded Distance : 2.589

Molprobity Statistics.
  All-atom Clashscore : 4.80
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  1.60 %
    Favored  : 98.40 %
  Rotamer:
    Outliers :  3.14 %
    Allowed  : 13.78 %
    Favored  : 83.08 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  0.91 (0.09), residues: 9300
  helix:  1.77 (0.08), residues: 4500
  sheet: -1.93 (0.10), residues: 2280
  loop :  1.35 (0.13), residues: 2520

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.002   0.001   TRP F 125 
 HIS   0.003   0.001   HIS c 146 
 PHE   0.006   0.001   PHE 0  95 
 TYR   0.007   0.001   TYR o 114 
 ARG   0.003   0.000   ARG r  94 

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

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

  18600 Ramachandran restraints generated.
    9300 Oldfield, 0 Emsley, 9300 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  18600 Ramachandran restraints generated.
    9300 Oldfield, 0 Emsley, 9300 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  2030 residues out of total 7140 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 224
    poor density    : 1806
  time to evaluate  : 5.856 
Fit side-chains
REVERT: B   74 ARG cc_start: 0.8809 (ttm170) cc_final: 0.8571 (ttm170)
REVERT: B  112 LYS cc_start: 0.8800 (OUTLIER) cc_final: 0.8357 (tptp)
REVERT: B  211 GLU cc_start: 0.8476 (mt-10) cc_final: 0.8142 (mt-10)
REVERT: B  218 GLU cc_start: 0.8695 (tt0) cc_final: 0.8474 (tt0)
REVERT: B  228 GLN cc_start: 0.6192 (OUTLIER) cc_final: 0.5752 (mt0)
REVERT: C  105 GLU cc_start: 0.8649 (mm-30) cc_final: 0.8396 (mm-30)
REVERT: C  144 LYS cc_start: 0.8857 (mtmm) cc_final: 0.8462 (mtmm)
REVERT: C  192 GLU cc_start: 0.8811 (OUTLIER) cc_final: 0.8489 (mm-30)
REVERT: D  105 GLU cc_start: 0.8658 (mm-30) cc_final: 0.8404 (mm-30)
REVERT: D  144 LYS cc_start: 0.8858 (mtmm) cc_final: 0.8457 (mtmm)
REVERT: D  192 GLU cc_start: 0.8836 (OUTLIER) cc_final: 0.8541 (mm-30)
REVERT: E  105 GLU cc_start: 0.8399 (OUTLIER) cc_final: 0.7910 (mp0)
REVERT: E  131 GLU cc_start: 0.8568 (mp0) cc_final: 0.8152 (mm-30)
REVERT: E  167 ASN cc_start: 0.8543 (m110) cc_final: 0.8132 (m110)
REVERT: E  175 SER cc_start: 0.8863 (m) cc_final: 0.8636 (t)
REVERT: E  211 GLU cc_start: 0.8566 (mt-10) cc_final: 0.8280 (mt-10)
REVERT: F  105 GLU cc_start: 0.8372 (OUTLIER) cc_final: 0.8128 (mp0)
REVERT: F  131 GLU cc_start: 0.8567 (mp0) cc_final: 0.8234 (mp0)
REVERT: F  196 GLN cc_start: 0.8577 (mt0) cc_final: 0.8280 (mt0)
REVERT: F  219 MET cc_start: 0.9096 (mmm) cc_final: 0.8874 (mmp)
REVERT: G   74 ARG cc_start: 0.8807 (ttm170) cc_final: 0.8569 (ttm170)
REVERT: G  112 LYS cc_start: 0.8812 (OUTLIER) cc_final: 0.8368 (tptp)
REVERT: G  211 GLU cc_start: 0.8514 (mt-10) cc_final: 0.8186 (mt-10)
REVERT: G  218 GLU cc_start: 0.8715 (tt0) cc_final: 0.8487 (tt0)
REVERT: G  228 GLN cc_start: 0.6172 (OUTLIER) cc_final: 0.5735 (mt0)
REVERT: H  105 GLU cc_start: 0.8416 (OUTLIER) cc_final: 0.7931 (mp0)
REVERT: H  131 GLU cc_start: 0.8574 (mp0) cc_final: 0.8158 (mm-30)
REVERT: H  167 ASN cc_start: 0.8524 (m-40) cc_final: 0.8139 (m110)
REVERT: H  175 SER cc_start: 0.8842 (m) cc_final: 0.8622 (t)
REVERT: H  211 GLU cc_start: 0.8585 (mt-10) cc_final: 0.8296 (mt-10)
REVERT: I   74 ARG cc_start: 0.8815 (ttm170) cc_final: 0.8578 (ttm170)
REVERT: I  112 LYS cc_start: 0.8744 (OUTLIER) cc_final: 0.8287 (tptp)
REVERT: I  211 GLU cc_start: 0.8452 (mt-10) cc_final: 0.8136 (mt-10)
REVERT: I  228 GLN cc_start: 0.6164 (OUTLIER) cc_final: 0.5738 (mt0)
REVERT: J  105 GLU cc_start: 0.8638 (mm-30) cc_final: 0.8390 (mm-30)
REVERT: J  144 LYS cc_start: 0.8850 (mtmm) cc_final: 0.8460 (mtmm)
REVERT: J  192 GLU cc_start: 0.8815 (OUTLIER) cc_final: 0.8496 (mm-30)
REVERT: K  105 GLU cc_start: 0.8360 (OUTLIER) cc_final: 0.8121 (mp0)
REVERT: K  131 GLU cc_start: 0.8566 (mp0) cc_final: 0.8231 (mp0)
REVERT: K  196 GLN cc_start: 0.8569 (mt0) cc_final: 0.8272 (mt0)
REVERT: L  105 GLU cc_start: 0.8409 (OUTLIER) cc_final: 0.7925 (mp0)
REVERT: L  131 GLU cc_start: 0.8587 (mp0) cc_final: 0.8171 (mm-30)
REVERT: L  167 ASN cc_start: 0.8560 (m110) cc_final: 0.8146 (m110)
REVERT: L  175 SER cc_start: 0.8853 (m) cc_final: 0.8643 (t)
REVERT: L  211 GLU cc_start: 0.8580 (mt-10) cc_final: 0.8283 (mt-10)
REVERT: M  105 GLU cc_start: 0.8379 (OUTLIER) cc_final: 0.8134 (mp0)
REVERT: M  131 GLU cc_start: 0.8776 (mp0) cc_final: 0.8459 (mp0)
REVERT: M  196 GLN cc_start: 0.8568 (mt0) cc_final: 0.8272 (mt0)
REVERT: N  105 GLU cc_start: 0.8418 (OUTLIER) cc_final: 0.7926 (mp0)
REVERT: N  131 GLU cc_start: 0.8575 (mp0) cc_final: 0.8160 (mm-30)
REVERT: N  167 ASN cc_start: 0.8572 (m110) cc_final: 0.8161 (m110)
REVERT: N  175 SER cc_start: 0.8857 (m) cc_final: 0.8638 (t)
REVERT: N  211 GLU cc_start: 0.8566 (mt-10) cc_final: 0.8269 (mt-10)
REVERT: O  105 GLU cc_start: 0.8372 (OUTLIER) cc_final: 0.8133 (mp0)
REVERT: O  131 GLU cc_start: 0.8562 (mp0) cc_final: 0.8231 (mp0)
REVERT: O  196 GLN cc_start: 0.8567 (mt0) cc_final: 0.8271 (mt0)
REVERT: P   74 ARG cc_start: 0.8792 (ttm170) cc_final: 0.8541 (ttm170)
REVERT: P  112 LYS cc_start: 0.8754 (OUTLIER) cc_final: 0.8298 (tptp)
REVERT: P  211 GLU cc_start: 0.8497 (mt-10) cc_final: 0.8160 (mt-10)
REVERT: P  218 GLU cc_start: 0.8697 (tt0) cc_final: 0.8467 (tt0)
REVERT: P  228 GLN cc_start: 0.6167 (OUTLIER) cc_final: 0.5735 (mt0)
REVERT: Q  105 GLU cc_start: 0.8378 (OUTLIER) cc_final: 0.8139 (mp0)
REVERT: Q  131 GLU cc_start: 0.8573 (mp0) cc_final: 0.8245 (mp0)
REVERT: Q  196 GLN cc_start: 0.8564 (mt0) cc_final: 0.8267 (mt0)
REVERT: R  105 GLU cc_start: 0.8397 (OUTLIER) cc_final: 0.7910 (mp0)
REVERT: R  131 GLU cc_start: 0.8571 (mp0) cc_final: 0.8155 (mm-30)
REVERT: R  167 ASN cc_start: 0.8523 (m-40) cc_final: 0.8150 (m110)
REVERT: R  175 SER cc_start: 0.8856 (m) cc_final: 0.8637 (t)
REVERT: R  211 GLU cc_start: 0.8566 (mt-10) cc_final: 0.8260 (mt-10)
REVERT: S  105 GLU cc_start: 0.8652 (mm-30) cc_final: 0.8398 (mm-30)
REVERT: S  144 LYS cc_start: 0.8861 (mtmm) cc_final: 0.8465 (mtmm)
REVERT: S  192 GLU cc_start: 0.8820 (OUTLIER) cc_final: 0.8521 (mm-30)
REVERT: T  105 GLU cc_start: 0.8644 (mm-30) cc_final: 0.8391 (mm-30)
REVERT: T  144 LYS cc_start: 0.8862 (mtmm) cc_final: 0.8468 (mtmm)
REVERT: T  192 GLU cc_start: 0.8840 (OUTLIER) cc_final: 0.8525 (mm-30)
REVERT: U  105 GLU cc_start: 0.8355 (OUTLIER) cc_final: 0.8115 (mp0)
REVERT: U  131 GLU cc_start: 0.8562 (mp0) cc_final: 0.8231 (mp0)
REVERT: U  196 GLN cc_start: 0.8570 (mt0) cc_final: 0.8274 (mt0)
REVERT: V  105 GLU cc_start: 0.8415 (OUTLIER) cc_final: 0.7928 (mp0)
REVERT: V  131 GLU cc_start: 0.8568 (mp0) cc_final: 0.8152 (mm-30)
REVERT: V  167 ASN cc_start: 0.8558 (m110) cc_final: 0.8144 (m110)
REVERT: V  175 SER cc_start: 0.8857 (m) cc_final: 0.8630 (t)
REVERT: V  211 GLU cc_start: 0.8549 (mt-10) cc_final: 0.8265 (mt-10)
REVERT: W   74 ARG cc_start: 0.8800 (ttm170) cc_final: 0.8545 (ttm170)
REVERT: W  112 LYS cc_start: 0.8748 (OUTLIER) cc_final: 0.8296 (tptp)
REVERT: W  211 GLU cc_start: 0.8500 (mt-10) cc_final: 0.8165 (mt-10)
REVERT: W  218 GLU cc_start: 0.8692 (tt0) cc_final: 0.8462 (tt0)
REVERT: W  228 GLN cc_start: 0.6152 (OUTLIER) cc_final: 0.5722 (mt0)
REVERT: X   74 ARG cc_start: 0.8810 (ttm170) cc_final: 0.8567 (ttm170)
REVERT: X  112 LYS cc_start: 0.8800 (OUTLIER) cc_final: 0.8355 (tptp)
REVERT: X  211 GLU cc_start: 0.8512 (mt-10) cc_final: 0.8187 (mt-10)
REVERT: X  218 GLU cc_start: 0.8696 (tt0) cc_final: 0.8468 (tt0)
REVERT: X  228 GLN cc_start: 0.6183 (OUTLIER) cc_final: 0.5755 (mt0)
REVERT: Y  105 GLU cc_start: 0.8650 (mm-30) cc_final: 0.8401 (mm-30)
REVERT: Y  144 LYS cc_start: 0.8847 (mtmm) cc_final: 0.8457 (mtmm)
REVERT: Y  192 GLU cc_start: 0.8807 (OUTLIER) cc_final: 0.8486 (mm-30)
REVERT: 3  105 GLU cc_start: 0.8381 (OUTLIER) cc_final: 0.8144 (mp0)
REVERT: 3  131 GLU cc_start: 0.8531 (mp0) cc_final: 0.8189 (mp0)
REVERT: 3  196 GLN cc_start: 0.8578 (mt0) cc_final: 0.8280 (mt0)
REVERT: 4   74 ARG cc_start: 0.8794 (ttm170) cc_final: 0.8556 (ttm170)
REVERT: 4  112 LYS cc_start: 0.8758 (OUTLIER) cc_final: 0.8310 (tptp)
REVERT: 4  211 GLU cc_start: 0.8459 (mt-10) cc_final: 0.8151 (mt-10)
REVERT: 4  228 GLN cc_start: 0.6164 (OUTLIER) cc_final: 0.5736 (mt0)
REVERT: 5  105 GLU cc_start: 0.8644 (mm-30) cc_final: 0.8395 (mm-30)
REVERT: 5  144 LYS cc_start: 0.8856 (mtmm) cc_final: 0.8462 (mtmm)
REVERT: 5  192 GLU cc_start: 0.8808 (OUTLIER) cc_final: 0.8483 (mm-30)
REVERT: 6  105 GLU cc_start: 0.8411 (OUTLIER) cc_final: 0.7925 (mp0)
REVERT: 6  131 GLU cc_start: 0.8572 (mp0) cc_final: 0.8165 (mm-30)
REVERT: 6  167 ASN cc_start: 0.8549 (m110) cc_final: 0.8139 (m110)
REVERT: 6  175 SER cc_start: 0.8861 (m) cc_final: 0.8639 (t)
REVERT: 6  211 GLU cc_start: 0.8563 (mt-10) cc_final: 0.8259 (mt-10)
REVERT: 6  218 GLU cc_start: 0.8679 (OUTLIER) cc_final: 0.7894 (mt-10)
REVERT: 7  105 GLU cc_start: 0.8392 (OUTLIER) cc_final: 0.8148 (mp0)
REVERT: 7  131 GLU cc_start: 0.8761 (mp0) cc_final: 0.8442 (mp0)
REVERT: 7  196 GLN cc_start: 0.8578 (mt0) cc_final: 0.8279 (mt0)
REVERT: 7  219 MET cc_start: 0.9077 (mmm) cc_final: 0.8852 (mmp)
REVERT: 8  105 GLU cc_start: 0.8417 (OUTLIER) cc_final: 0.7938 (mp0)
REVERT: 8  131 GLU cc_start: 0.8569 (mp0) cc_final: 0.8154 (mm-30)
REVERT: 8  167 ASN cc_start: 0.8526 (m-40) cc_final: 0.8154 (m110)
REVERT: 8  175 SER cc_start: 0.8859 (m) cc_final: 0.8642 (t)
REVERT: 8  211 GLU cc_start: 0.8556 (mt-10) cc_final: 0.8254 (mt-10)
REVERT: 9  105 GLU cc_start: 0.8354 (OUTLIER) cc_final: 0.8115 (mp0)
REVERT: 9  131 GLU cc_start: 0.8526 (mp0) cc_final: 0.8177 (mp0)
REVERT: 9  196 GLN cc_start: 0.8573 (mt0) cc_final: 0.8280 (mt0)
REVERT: a  105 GLU cc_start: 0.8651 (mm-30) cc_final: 0.8401 (mm-30)
REVERT: a  144 LYS cc_start: 0.8866 (mtmm) cc_final: 0.8471 (mtmm)
REVERT: a  192 GLU cc_start: 0.8827 (OUTLIER) cc_final: 0.8513 (mm-30)
REVERT: b   74 ARG cc_start: 0.8809 (ttm170) cc_final: 0.8565 (ttm170)
REVERT: b  112 LYS cc_start: 0.8754 (OUTLIER) cc_final: 0.8301 (tptp)
REVERT: b  211 GLU cc_start: 0.8466 (mt-10) cc_final: 0.8156 (mt-10)
REVERT: b  228 GLN cc_start: 0.6149 (OUTLIER) cc_final: 0.5722 (mt0)
REVERT: c  105 GLU cc_start: 0.8398 (OUTLIER) cc_final: 0.7911 (mp0)
REVERT: c  131 GLU cc_start: 0.8568 (mp0) cc_final: 0.8164 (mm-30)
REVERT: c  167 ASN cc_start: 0.8508 (m110) cc_final: 0.8107 (m110)
REVERT: c  175 SER cc_start: 0.8853 (m) cc_final: 0.8627 (t)
REVERT: c  211 GLU cc_start: 0.8530 (mt-10) cc_final: 0.8250 (mt-10)
REVERT: h   74 ARG cc_start: 0.8797 (ttm170) cc_final: 0.8558 (ttm170)
REVERT: h  112 LYS cc_start: 0.8747 (OUTLIER) cc_final: 0.8288 (tptp)
REVERT: h  211 GLU cc_start: 0.8447 (mt-10) cc_final: 0.8140 (mt-10)
REVERT: h  228 GLN cc_start: 0.6169 (OUTLIER) cc_final: 0.5741 (mt0)
REVERT: i  105 GLU cc_start: 0.8657 (mm-30) cc_final: 0.8403 (mm-30)
REVERT: i  144 LYS cc_start: 0.8862 (mtmm) cc_final: 0.8468 (mtmm)
REVERT: i  192 GLU cc_start: 0.8844 (OUTLIER) cc_final: 0.8552 (mm-30)
REVERT: j  105 GLU cc_start: 0.8643 (mm-30) cc_final: 0.8389 (mm-30)
REVERT: j  144 LYS cc_start: 0.8859 (mtmm) cc_final: 0.8471 (mtmm)
REVERT: j  192 GLU cc_start: 0.8812 (OUTLIER) cc_final: 0.8492 (mm-30)
REVERT: k   74 ARG cc_start: 0.8810 (ttm170) cc_final: 0.8580 (ttm170)
REVERT: k  112 LYS cc_start: 0.8762 (OUTLIER) cc_final: 0.8316 (tptp)
REVERT: k  211 GLU cc_start: 0.8458 (mt-10) cc_final: 0.8153 (mt-10)
REVERT: k  228 GLN cc_start: 0.6169 (OUTLIER) cc_final: 0.5738 (mt0)
REVERT: l   74 ARG cc_start: 0.8791 (ttm170) cc_final: 0.8546 (ttm170)
REVERT: l  112 LYS cc_start: 0.8748 (OUTLIER) cc_final: 0.8295 (tptp)
REVERT: l  211 GLU cc_start: 0.8437 (mt-10) cc_final: 0.8113 (mt-10)
REVERT: l  228 GLN cc_start: 0.6154 (OUTLIER) cc_final: 0.5728 (mt0)
REVERT: m  105 GLU cc_start: 0.8651 (mm-30) cc_final: 0.8398 (mm-30)
REVERT: m  144 LYS cc_start: 0.8859 (mtmm) cc_final: 0.8466 (mtmm)
REVERT: m  192 GLU cc_start: 0.8812 (OUTLIER) cc_final: 0.8509 (mm-30)
REVERT: o  105 GLU cc_start: 0.8411 (OUTLIER) cc_final: 0.7927 (mp0)
REVERT: o  131 GLU cc_start: 0.8570 (mp0) cc_final: 0.8160 (mm-30)
REVERT: o  167 ASN cc_start: 0.8475 (m-40) cc_final: 0.8110 (m110)
REVERT: o  175 SER cc_start: 0.8848 (m) cc_final: 0.8623 (t)
REVERT: o  211 GLU cc_start: 0.8551 (mt-10) cc_final: 0.8249 (mt-10)
REVERT: p  105 GLU cc_start: 0.8370 (OUTLIER) cc_final: 0.8131 (mp0)
REVERT: p  131 GLU cc_start: 0.8758 (mp0) cc_final: 0.8443 (mp0)
REVERT: p  196 GLN cc_start: 0.8576 (mt0) cc_final: 0.8280 (mt0)
REVERT: p  219 MET cc_start: 0.9090 (mmm) cc_final: 0.8871 (mmp)
REVERT: q  105 GLU cc_start: 0.8416 (OUTLIER) cc_final: 0.7928 (mp0)
REVERT: q  131 GLU cc_start: 0.8581 (mp0) cc_final: 0.8172 (mm-30)
REVERT: q  167 ASN cc_start: 0.8503 (m-40) cc_final: 0.8130 (m110)
REVERT: q  175 SER cc_start: 0.8865 (m) cc_final: 0.8644 (t)
REVERT: q  211 GLU cc_start: 0.8559 (mt-10) cc_final: 0.8277 (mt-10)
REVERT: r  105 GLU cc_start: 0.8355 (OUTLIER) cc_final: 0.8115 (mp0)
REVERT: r  131 GLU cc_start: 0.8521 (mp0) cc_final: 0.8171 (mp0)
REVERT: r  196 GLN cc_start: 0.8575 (mt0) cc_final: 0.8280 (mt0)
REVERT: r  219 MET cc_start: 0.9109 (mmm) cc_final: 0.8888 (mmp)
REVERT: u   74 ARG cc_start: 0.8816 (ttm170) cc_final: 0.8571 (ttm170)
REVERT: u  112 LYS cc_start: 0.8740 (OUTLIER) cc_final: 0.8285 (tptp)
REVERT: u  211 GLU cc_start: 0.8461 (mt-10) cc_final: 0.8151 (mt-10)
REVERT: u  228 GLN cc_start: 0.6150 (OUTLIER) cc_final: 0.5729 (mt0)
REVERT: v  105 GLU cc_start: 0.8641 (mm-30) cc_final: 0.8388 (mm-30)
REVERT: v  144 LYS cc_start: 0.8857 (mtmm) cc_final: 0.8466 (mtmm)
REVERT: v  192 GLU cc_start: 0.8809 (OUTLIER) cc_final: 0.8507 (mm-30)
REVERT: w  105 GLU cc_start: 0.8427 (OUTLIER) cc_final: 0.7945 (mp0)
REVERT: w  131 GLU cc_start: 0.8581 (mp0) cc_final: 0.8173 (mm-30)
REVERT: w  167 ASN cc_start: 0.8552 (m110) cc_final: 0.8127 (m110)
REVERT: w  175 SER cc_start: 0.8853 (m) cc_final: 0.8635 (t)
REVERT: w  211 GLU cc_start: 0.8569 (mt-10) cc_final: 0.8269 (mt-10)
REVERT: x  105 GLU cc_start: 0.8389 (OUTLIER) cc_final: 0.8147 (mp0)
REVERT: x  131 GLU cc_start: 0.8771 (mp0) cc_final: 0.8449 (mp0)
REVERT: x  196 GLN cc_start: 0.8581 (mt0) cc_final: 0.8281 (mt0)
REVERT: x  219 MET cc_start: 0.9100 (mmm) cc_final: 0.8877 (mmp)
  outliers start: 224
  outliers final: 112
  residues processed: 1898
  average time/residue: 1.7890
  time to fit residues: 4258.8926
Evaluate side-chains
  1935 residues out of total 7140 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 173
    poor density    : 1762
  time to evaluate  : 5.865 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   92 VAL
Chi-restraints excluded: chain B residue  112 LYS
Chi-restraints excluded: chain B residue  193 ASP
Chi-restraints excluded: chain B residue  228 GLN
Chi-restraints excluded: chain C residue  192 GLU
Chi-restraints excluded: chain D residue  192 GLU
Chi-restraints excluded: chain E residue   92 VAL
Chi-restraints excluded: chain E residue  105 GLU
Chi-restraints excluded: chain E residue  112 LYS
Chi-restraints excluded: chain E residue  193 ASP
Chi-restraints excluded: chain F residue   92 VAL
Chi-restraints excluded: chain F residue  105 GLU
Chi-restraints excluded: chain F residue  178 LEU
Chi-restraints excluded: chain F residue  190 THR
Chi-restraints excluded: chain F residue  193 ASP
Chi-restraints excluded: chain F residue  224 GLU
Chi-restraints excluded: chain G residue  112 LYS
Chi-restraints excluded: chain G residue  228 GLN
Chi-restraints excluded: chain H residue   92 VAL
Chi-restraints excluded: chain H residue  105 GLU
Chi-restraints excluded: chain H residue  112 LYS
Chi-restraints excluded: chain H residue  193 ASP
Chi-restraints excluded: chain I residue  112 LYS
Chi-restraints excluded: chain I residue  193 ASP
Chi-restraints excluded: chain I residue  228 GLN
Chi-restraints excluded: chain J residue  192 GLU
Chi-restraints excluded: chain K residue   92 VAL
Chi-restraints excluded: chain K residue  105 GLU
Chi-restraints excluded: chain K residue  178 LEU
Chi-restraints excluded: chain K residue  190 THR
Chi-restraints excluded: chain K residue  193 ASP
Chi-restraints excluded: chain K residue  224 GLU
Chi-restraints excluded: chain L residue   92 VAL
Chi-restraints excluded: chain L residue  105 GLU
Chi-restraints excluded: chain L residue  112 LYS
Chi-restraints excluded: chain L residue  193 ASP
Chi-restraints excluded: chain M residue   92 VAL
Chi-restraints excluded: chain M residue  105 GLU
Chi-restraints excluded: chain M residue  178 LEU
Chi-restraints excluded: chain M residue  193 ASP
Chi-restraints excluded: chain M residue  224 GLU
Chi-restraints excluded: chain N residue   92 VAL
Chi-restraints excluded: chain N residue  105 GLU
Chi-restraints excluded: chain N residue  112 LYS
Chi-restraints excluded: chain N residue  193 ASP
Chi-restraints excluded: chain O residue   92 VAL
Chi-restraints excluded: chain O residue  105 GLU
Chi-restraints excluded: chain O residue  178 LEU
Chi-restraints excluded: chain O residue  193 ASP
Chi-restraints excluded: chain P residue  112 LYS
Chi-restraints excluded: chain P residue  228 GLN
Chi-restraints excluded: chain Q residue   92 VAL
Chi-restraints excluded: chain Q residue  105 GLU
Chi-restraints excluded: chain Q residue  178 LEU
Chi-restraints excluded: chain Q residue  193 ASP
Chi-restraints excluded: chain R residue   92 VAL
Chi-restraints excluded: chain R residue  105 GLU
Chi-restraints excluded: chain R residue  112 LYS
Chi-restraints excluded: chain R residue  193 ASP
Chi-restraints excluded: chain R residue  194 MET
Chi-restraints excluded: chain S residue  192 GLU
Chi-restraints excluded: chain T residue  192 GLU
Chi-restraints excluded: chain U residue   92 VAL
Chi-restraints excluded: chain U residue  105 GLU
Chi-restraints excluded: chain U residue  178 LEU
Chi-restraints excluded: chain U residue  190 THR
Chi-restraints excluded: chain U residue  193 ASP
Chi-restraints excluded: chain U residue  224 GLU
Chi-restraints excluded: chain V residue   92 VAL
Chi-restraints excluded: chain V residue  105 GLU
Chi-restraints excluded: chain V residue  112 LYS
Chi-restraints excluded: chain V residue  193 ASP
Chi-restraints excluded: chain V residue  194 MET
Chi-restraints excluded: chain W residue  112 LYS
Chi-restraints excluded: chain W residue  228 GLN
Chi-restraints excluded: chain X residue  112 LYS
Chi-restraints excluded: chain X residue  228 GLN
Chi-restraints excluded: chain Y residue  192 GLU
Chi-restraints excluded: chain Z residue   92 VAL
Chi-restraints excluded: chain 0 residue   92 VAL
Chi-restraints excluded: chain 1 residue   92 VAL
Chi-restraints excluded: chain 2 residue   92 VAL
Chi-restraints excluded: chain 3 residue   92 VAL
Chi-restraints excluded: chain 3 residue  105 GLU
Chi-restraints excluded: chain 3 residue  171 SER
Chi-restraints excluded: chain 3 residue  178 LEU
Chi-restraints excluded: chain 3 residue  193 ASP
Chi-restraints excluded: chain 3 residue  224 GLU
Chi-restraints excluded: chain 4 residue  112 LYS
Chi-restraints excluded: chain 4 residue  193 ASP
Chi-restraints excluded: chain 4 residue  228 GLN
Chi-restraints excluded: chain 5 residue  192 GLU
Chi-restraints excluded: chain 6 residue   92 VAL
Chi-restraints excluded: chain 6 residue  105 GLU
Chi-restraints excluded: chain 6 residue  112 LYS
Chi-restraints excluded: chain 6 residue  193 ASP
Chi-restraints excluded: chain 6 residue  218 GLU
Chi-restraints excluded: chain 7 residue   92 VAL
Chi-restraints excluded: chain 7 residue  105 GLU
Chi-restraints excluded: chain 7 residue  171 SER
Chi-restraints excluded: chain 7 residue  178 LEU
Chi-restraints excluded: chain 7 residue  190 THR
Chi-restraints excluded: chain 7 residue  193 ASP
Chi-restraints excluded: chain 7 residue  224 GLU
Chi-restraints excluded: chain 8 residue   92 VAL
Chi-restraints excluded: chain 8 residue  105 GLU
Chi-restraints excluded: chain 8 residue  112 LYS
Chi-restraints excluded: chain 8 residue  193 ASP
Chi-restraints excluded: chain 9 residue   92 VAL
Chi-restraints excluded: chain 9 residue  105 GLU
Chi-restraints excluded: chain 9 residue  178 LEU
Chi-restraints excluded: chain 9 residue  190 THR
Chi-restraints excluded: chain 9 residue  193 ASP
Chi-restraints excluded: chain 9 residue  224 GLU
Chi-restraints excluded: chain a residue  192 GLU
Chi-restraints excluded: chain b residue  112 LYS
Chi-restraints excluded: chain b residue  228 GLN
Chi-restraints excluded: chain c residue   92 VAL
Chi-restraints excluded: chain c residue  105 GLU
Chi-restraints excluded: chain c residue  112 LYS
Chi-restraints excluded: chain c residue  193 ASP
Chi-restraints excluded: chain c residue  194 MET
Chi-restraints excluded: chain d residue   92 VAL
Chi-restraints excluded: chain e residue   92 VAL
Chi-restraints excluded: chain f residue   92 VAL
Chi-restraints excluded: chain g residue   92 VAL
Chi-restraints excluded: chain h residue  112 LYS
Chi-restraints excluded: chain h residue  193 ASP
Chi-restraints excluded: chain h residue  228 GLN
Chi-restraints excluded: chain i residue  192 GLU
Chi-restraints excluded: chain j residue  192 GLU
Chi-restraints excluded: chain k residue  112 LYS
Chi-restraints excluded: chain k residue  228 GLN
Chi-restraints excluded: chain l residue  112 LYS
Chi-restraints excluded: chain l residue  228 GLN
Chi-restraints excluded: chain m residue  192 GLU
Chi-restraints excluded: chain n residue   92 VAL
Chi-restraints excluded: chain o residue   92 VAL
Chi-restraints excluded: chain o residue  105 GLU
Chi-restraints excluded: chain o residue  112 LYS
Chi-restraints excluded: chain o residue  193 ASP
Chi-restraints excluded: chain o residue  194 MET
Chi-restraints excluded: chain p residue   92 VAL
Chi-restraints excluded: chain p residue  105 GLU
Chi-restraints excluded: chain p residue  178 LEU
Chi-restraints excluded: chain p residue  193 ASP
Chi-restraints excluded: chain p residue  224 GLU
Chi-restraints excluded: chain q residue   92 VAL
Chi-restraints excluded: chain q residue  105 GLU
Chi-restraints excluded: chain q residue  112 LYS
Chi-restraints excluded: chain q residue  193 ASP
Chi-restraints excluded: chain q residue  194 MET
Chi-restraints excluded: chain r residue   92 VAL
Chi-restraints excluded: chain r residue  105 GLU
Chi-restraints excluded: chain r residue  178 LEU
Chi-restraints excluded: chain r residue  193 ASP
Chi-restraints excluded: chain r residue  224 GLU
Chi-restraints excluded: chain s residue   92 VAL
Chi-restraints excluded: chain t residue   92 VAL
Chi-restraints excluded: chain u residue  112 LYS
Chi-restraints excluded: chain u residue  228 GLN
Chi-restraints excluded: chain v residue  192 GLU
Chi-restraints excluded: chain w residue   92 VAL
Chi-restraints excluded: chain w residue  105 GLU
Chi-restraints excluded: chain w residue  112 LYS
Chi-restraints excluded: chain w residue  193 ASP
Chi-restraints excluded: chain w residue  194 MET
Chi-restraints excluded: chain x residue   92 VAL
Chi-restraints excluded: chain x residue  105 GLU
Chi-restraints excluded: chain x residue  171 SER
Chi-restraints excluded: chain x residue  178 LEU
Chi-restraints excluded: chain x residue  193 ASP
Chi-restraints excluded: chain x residue  224 GLU
Rotamers are restrained with sigma=2.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 900
   random chunks:
   chunk 778 optimal weight:    9.9990
   chunk 141 optimal weight:    2.9990
   chunk 611 optimal weight:    7.9990
   chunk 419 optimal weight:    7.9990
   chunk 868 optimal weight:    7.9990
   chunk 41 optimal weight:    0.0670
   chunk 130 optimal weight:    0.8980
   chunk 327 optimal weight:    2.9990
   chunk 22 optimal weight:    8.9990
   chunk 81 optimal weight:    0.0870
   chunk 171 optimal weight:    0.8980
   overall best weight:    0.9898

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

Flipped N/Q/H residues before XYZ refinement:
E 179 ASN
E 196 GLN
H 179 ASN
H 196 GLN
L 196 GLN
N 179 ASN
N 196 GLN
R 196 GLN
V 179 ASN
V 196 GLN
6 179 ASN
6 196 GLN
8 196 GLN
c 179 ASN
c 196 GLN
o 196 GLN
q 179 ASN
q 196 GLN
w 196 GLN

Total number of N/Q/H flips: 19

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3271 r_free = 0.3271 target = 0.117454 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 41)----------------|
| r_work = 0.3002 r_free = 0.3002 target = 0.098020 restraints weight = 75722.801|
|-----------------------------------------------------------------------------|
r_work (start): 0.2985 rms_B_bonded: 1.49
r_work: 0.2846 rms_B_bonded: 2.11 restraints_weight: 0.5000
r_work: 0.2698 rms_B_bonded: 3.50 restraints_weight: 0.2500
r_work (final): 0.2698
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8552
moved from start:          0.2710

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.002   0.021  70560  Z= 0.151
  Angle     :  0.398   5.133  95640  Z= 0.219
  Chirality :  0.046   0.133  11220
  Planarity :  0.003   0.042  12480
  Dihedral  :  4.611  83.137  10116
  Min Nonbonded Distance : 2.587

Molprobity Statistics.
  All-atom Clashscore : 5.03
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  1.34 %
    Favored  : 98.66 %
  Rotamer:
    Outliers :  2.69 %
    Allowed  : 14.61 %
    Favored  : 82.70 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  1.05 (0.09), residues: 9300
  helix:  2.02 (0.08), residues: 4440
  sheet: -1.89 (0.10), residues: 2280
  loop :  1.18 (0.13), residues: 2580

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.004   0.001   TRP h 125 
 HIS   0.002   0.001   HIS c 146 
 PHE   0.006   0.001   PHE O  95 
 TYR   0.007   0.001   TYR T 114 
 ARG   0.003   0.000   ARG O  94 

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

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

  18600 Ramachandran restraints generated.
    9300 Oldfield, 0 Emsley, 9300 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  18600 Ramachandran restraints generated.
    9300 Oldfield, 0 Emsley, 9300 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  1991 residues out of total 7140 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 192
    poor density    : 1799
  time to evaluate  : 5.876 
Fit side-chains
REVERT: A  194 MET cc_start: 0.8725 (tpp) cc_final: 0.8507 (tpp)
REVERT: B   74 ARG cc_start: 0.8819 (ttm170) cc_final: 0.8555 (ttm170)
REVERT: B  112 LYS cc_start: 0.8752 (OUTLIER) cc_final: 0.8290 (tptp)
REVERT: B  211 GLU cc_start: 0.8481 (mt-10) cc_final: 0.8148 (mt-10)
REVERT: B  218 GLU cc_start: 0.8690 (tt0) cc_final: 0.8459 (tt0)
REVERT: B  228 GLN cc_start: 0.6198 (OUTLIER) cc_final: 0.5778 (mt0)
REVERT: C  105 GLU cc_start: 0.8647 (mm-30) cc_final: 0.8399 (mm-30)
REVERT: C  144 LYS cc_start: 0.8836 (mtmm) cc_final: 0.8436 (mtmm)
REVERT: C  192 GLU cc_start: 0.8830 (OUTLIER) cc_final: 0.8528 (mm-30)
REVERT: D  105 GLU cc_start: 0.8651 (mm-30) cc_final: 0.8401 (mm-30)
REVERT: D  144 LYS cc_start: 0.8833 (mtmm) cc_final: 0.8430 (mtmm)
REVERT: D  192 GLU cc_start: 0.8846 (OUTLIER) cc_final: 0.8549 (mm-30)
REVERT: E  105 GLU cc_start: 0.8379 (OUTLIER) cc_final: 0.7896 (mp0)
REVERT: E  131 GLU cc_start: 0.8577 (mp0) cc_final: 0.8123 (mm-30)
REVERT: E  167 ASN cc_start: 0.8532 (m110) cc_final: 0.8120 (m110)
REVERT: E  175 SER cc_start: 0.8863 (m) cc_final: 0.8648 (t)
REVERT: E  211 GLU cc_start: 0.8577 (mt-10) cc_final: 0.8274 (mt-10)
REVERT: F  105 GLU cc_start: 0.8377 (OUTLIER) cc_final: 0.8136 (mp0)
REVERT: F  131 GLU cc_start: 0.8537 (mp0) cc_final: 0.8285 (mp0)
REVERT: F  196 GLN cc_start: 0.8575 (mt0) cc_final: 0.8285 (mt0)
REVERT: G   74 ARG cc_start: 0.8828 (ttm170) cc_final: 0.8567 (ttm170)
REVERT: G  112 LYS cc_start: 0.8759 (OUTLIER) cc_final: 0.8299 (tptp)
REVERT: G  211 GLU cc_start: 0.8494 (mt-10) cc_final: 0.8166 (mt-10)
REVERT: G  218 GLU cc_start: 0.8711 (tt0) cc_final: 0.8473 (tt0)
REVERT: G  228 GLN cc_start: 0.6187 (OUTLIER) cc_final: 0.5773 (mt0)
REVERT: H  105 GLU cc_start: 0.8396 (OUTLIER) cc_final: 0.7920 (mp0)
REVERT: H  131 GLU cc_start: 0.8584 (mp0) cc_final: 0.8132 (mm-30)
REVERT: H  167 ASN cc_start: 0.8498 (m-40) cc_final: 0.8132 (m110)
REVERT: H  175 SER cc_start: 0.8846 (m) cc_final: 0.8636 (t)
REVERT: H  211 GLU cc_start: 0.8605 (mt-10) cc_final: 0.8301 (mt-10)
REVERT: I   74 ARG cc_start: 0.8819 (ttm170) cc_final: 0.8564 (ttm170)
REVERT: I  112 LYS cc_start: 0.8737 (OUTLIER) cc_final: 0.8268 (tptp)
REVERT: I  211 GLU cc_start: 0.8464 (mt-10) cc_final: 0.8172 (mt-10)
REVERT: I  228 GLN cc_start: 0.6174 (OUTLIER) cc_final: 0.5762 (mt0)
REVERT: J  105 GLU cc_start: 0.8636 (mm-30) cc_final: 0.8391 (mm-30)
REVERT: J  144 LYS cc_start: 0.8838 (mtmm) cc_final: 0.8444 (mtmm)
REVERT: J  192 GLU cc_start: 0.8832 (OUTLIER) cc_final: 0.8529 (mm-30)
REVERT: K  105 GLU cc_start: 0.8371 (OUTLIER) cc_final: 0.8131 (mp0)
REVERT: K  131 GLU cc_start: 0.8536 (mp0) cc_final: 0.8282 (mp0)
REVERT: K  196 GLN cc_start: 0.8562 (mt0) cc_final: 0.8272 (mt0)
REVERT: L  105 GLU cc_start: 0.8402 (OUTLIER) cc_final: 0.7929 (mp0)
REVERT: L  131 GLU cc_start: 0.8585 (mp0) cc_final: 0.8125 (mm-30)
REVERT: L  167 ASN cc_start: 0.8543 (m110) cc_final: 0.8127 (m110)
REVERT: L  175 SER cc_start: 0.8854 (m) cc_final: 0.8653 (t)
REVERT: L  211 GLU cc_start: 0.8595 (mt-10) cc_final: 0.8283 (mt-10)
REVERT: M  105 GLU cc_start: 0.8375 (OUTLIER) cc_final: 0.8135 (mp0)
REVERT: M  131 GLU cc_start: 0.8439 (mp0) cc_final: 0.8127 (mp0)
REVERT: M  196 GLN cc_start: 0.8570 (mt0) cc_final: 0.8283 (mt0)
REVERT: N  105 GLU cc_start: 0.8388 (OUTLIER) cc_final: 0.7903 (mp0)
REVERT: N  131 GLU cc_start: 0.8586 (mp0) cc_final: 0.8125 (mm-30)
REVERT: N  167 ASN cc_start: 0.8559 (m110) cc_final: 0.8151 (m110)
REVERT: N  175 SER cc_start: 0.8849 (m) cc_final: 0.8645 (t)
REVERT: N  211 GLU cc_start: 0.8599 (mt-10) cc_final: 0.8303 (mt-10)
REVERT: O  105 GLU cc_start: 0.8375 (OUTLIER) cc_final: 0.8134 (mp0)
REVERT: O  131 GLU cc_start: 0.8538 (mp0) cc_final: 0.8288 (mp0)
REVERT: O  196 GLN cc_start: 0.8564 (mt0) cc_final: 0.8274 (mt0)
REVERT: P   74 ARG cc_start: 0.8795 (ttm170) cc_final: 0.8529 (ttm170)
REVERT: P  112 LYS cc_start: 0.8732 (OUTLIER) cc_final: 0.8270 (tptp)
REVERT: P  211 GLU cc_start: 0.8466 (mt-10) cc_final: 0.8122 (mt-10)
REVERT: P  218 GLU cc_start: 0.8688 (tt0) cc_final: 0.8443 (tt0)
REVERT: P  228 GLN cc_start: 0.6177 (OUTLIER) cc_final: 0.5764 (mt0)
REVERT: Q  105 GLU cc_start: 0.8392 (OUTLIER) cc_final: 0.8154 (mp0)
REVERT: Q  131 GLU cc_start: 0.8547 (mp0) cc_final: 0.8295 (mp0)
REVERT: Q  196 GLN cc_start: 0.8565 (mt0) cc_final: 0.8273 (mt0)
REVERT: R  105 GLU cc_start: 0.8383 (OUTLIER) cc_final: 0.7903 (mp0)
REVERT: R  131 GLU cc_start: 0.8590 (mp0) cc_final: 0.8138 (mm-30)
REVERT: R  167 ASN cc_start: 0.8491 (m-40) cc_final: 0.8132 (m110)
REVERT: R  175 SER cc_start: 0.8846 (m) cc_final: 0.8631 (t)
REVERT: R  211 GLU cc_start: 0.8584 (mt-10) cc_final: 0.8276 (mt-10)
REVERT: S  105 GLU cc_start: 0.8650 (mm-30) cc_final: 0.8399 (mm-30)
REVERT: S  144 LYS cc_start: 0.8838 (mtmm) cc_final: 0.8436 (mtmm)
REVERT: S  192 GLU cc_start: 0.8844 (OUTLIER) cc_final: 0.8547 (mm-30)
REVERT: T  105 GLU cc_start: 0.8636 (mm-30) cc_final: 0.8390 (mm-30)
REVERT: T  144 LYS cc_start: 0.8848 (mtmm) cc_final: 0.8449 (mtmm)
REVERT: T  192 GLU cc_start: 0.8854 (OUTLIER) cc_final: 0.8560 (mm-30)
REVERT: T  195 ASP cc_start: 0.7420 (t70) cc_final: 0.7128 (t70)
REVERT: U  105 GLU cc_start: 0.8361 (OUTLIER) cc_final: 0.8120 (mp0)
REVERT: U  131 GLU cc_start: 0.8542 (mp0) cc_final: 0.8291 (mp0)
REVERT: U  196 GLN cc_start: 0.8562 (mt0) cc_final: 0.8270 (mt0)
REVERT: V  105 GLU cc_start: 0.8396 (OUTLIER) cc_final: 0.7914 (mp0)
REVERT: V  131 GLU cc_start: 0.8591 (mp0) cc_final: 0.8135 (mm-30)
REVERT: V  167 ASN cc_start: 0.8542 (m110) cc_final: 0.8128 (m110)
REVERT: V  175 SER cc_start: 0.8856 (m) cc_final: 0.8638 (t)
REVERT: V  211 GLU cc_start: 0.8566 (mt-10) cc_final: 0.8264 (mt-10)
REVERT: W   74 ARG cc_start: 0.8812 (ttm170) cc_final: 0.8541 (ttm170)
REVERT: W  112 LYS cc_start: 0.8724 (OUTLIER) cc_final: 0.8263 (tptp)
REVERT: W  211 GLU cc_start: 0.8479 (mt-10) cc_final: 0.8140 (mt-10)
REVERT: W  218 GLU cc_start: 0.8683 (tt0) cc_final: 0.8438 (tt0)
REVERT: W  228 GLN cc_start: 0.6164 (OUTLIER) cc_final: 0.5752 (mt0)
REVERT: X   74 ARG cc_start: 0.8807 (ttm170) cc_final: 0.8541 (ttm170)
REVERT: X  112 LYS cc_start: 0.8755 (OUTLIER) cc_final: 0.8292 (tptp)
REVERT: X  211 GLU cc_start: 0.8496 (mt-10) cc_final: 0.8167 (mt-10)
REVERT: X  218 GLU cc_start: 0.8683 (tt0) cc_final: 0.8443 (tt0)
REVERT: X  228 GLN cc_start: 0.6190 (OUTLIER) cc_final: 0.5777 (mt0)
REVERT: Y  105 GLU cc_start: 0.8644 (mm-30) cc_final: 0.8400 (mm-30)
REVERT: Y  144 LYS cc_start: 0.8846 (mtmm) cc_final: 0.8449 (mtmm)
REVERT: Y  192 GLU cc_start: 0.8833 (OUTLIER) cc_final: 0.8533 (mm-30)
REVERT: Z  194 MET cc_start: 0.8724 (tpp) cc_final: 0.8504 (tpp)
REVERT: 1  194 MET cc_start: 0.8724 (tpp) cc_final: 0.8504 (tpp)
REVERT: 2  194 MET cc_start: 0.8727 (tpp) cc_final: 0.8509 (tpp)
REVERT: 3  105 GLU cc_start: 0.8395 (OUTLIER) cc_final: 0.8158 (mp0)
REVERT: 3  131 GLU cc_start: 0.8460 (mp0) cc_final: 0.8082 (mp0)
REVERT: 3  196 GLN cc_start: 0.8580 (mt0) cc_final: 0.8286 (mt0)
REVERT: 4   74 ARG cc_start: 0.8794 (ttm170) cc_final: 0.8541 (ttm170)
REVERT: 4  112 LYS cc_start: 0.8754 (OUTLIER) cc_final: 0.8289 (tptp)
REVERT: 4  211 GLU cc_start: 0.8463 (mt-10) cc_final: 0.8180 (mt-10)
REVERT: 4  228 GLN cc_start: 0.6161 (OUTLIER) cc_final: 0.5750 (mt0)
REVERT: 5  105 GLU cc_start: 0.8629 (mm-30) cc_final: 0.8385 (mm-30)
REVERT: 5  144 LYS cc_start: 0.8845 (mtmm) cc_final: 0.8449 (mtmm)
REVERT: 5  192 GLU cc_start: 0.8823 (OUTLIER) cc_final: 0.8513 (mm-30)
REVERT: 5  195 ASP cc_start: 0.7424 (t70) cc_final: 0.7192 (t70)
REVERT: 6  105 GLU cc_start: 0.8396 (OUTLIER) cc_final: 0.7916 (mp0)
REVERT: 6  131 GLU cc_start: 0.8582 (mp0) cc_final: 0.8136 (mm-30)
REVERT: 6  167 ASN cc_start: 0.8544 (m110) cc_final: 0.8136 (m110)
REVERT: 6  175 SER cc_start: 0.8852 (m) cc_final: 0.8645 (t)
REVERT: 6  211 GLU cc_start: 0.8594 (mt-10) cc_final: 0.8277 (mt-10)
REVERT: 7  105 GLU cc_start: 0.8388 (OUTLIER) cc_final: 0.8149 (mp0)
REVERT: 7  131 GLU cc_start: 0.8421 (mp0) cc_final: 0.8110 (mp0)
REVERT: 7  196 GLN cc_start: 0.8581 (mt0) cc_final: 0.8286 (mt0)
REVERT: 8  105 GLU cc_start: 0.8409 (OUTLIER) cc_final: 0.7937 (mp0)
REVERT: 8  131 GLU cc_start: 0.8584 (mp0) cc_final: 0.8130 (mm-30)
REVERT: 8  167 ASN cc_start: 0.8500 (m-40) cc_final: 0.8151 (m110)
REVERT: 8  175 SER cc_start: 0.8850 (m) cc_final: 0.8643 (t)
REVERT: 8  211 GLU cc_start: 0.8586 (mt-10) cc_final: 0.8287 (mt-10)
REVERT: 9  105 GLU cc_start: 0.8368 (OUTLIER) cc_final: 0.8126 (mp0)
REVERT: 9  131 GLU cc_start: 0.8449 (mp0) cc_final: 0.8061 (mp0)
REVERT: 9  196 GLN cc_start: 0.8574 (mt0) cc_final: 0.8284 (mt0)
REVERT: a  105 GLU cc_start: 0.8647 (mm-30) cc_final: 0.8402 (mm-30)
REVERT: a  144 LYS cc_start: 0.8844 (mtmm) cc_final: 0.8444 (mtmm)
REVERT: a  192 GLU cc_start: 0.8843 (OUTLIER) cc_final: 0.8542 (mm-30)
REVERT: a  195 ASP cc_start: 0.7409 (t70) cc_final: 0.7117 (t70)
REVERT: b   74 ARG cc_start: 0.8810 (ttm170) cc_final: 0.8549 (ttm170)
REVERT: b  112 LYS cc_start: 0.8735 (OUTLIER) cc_final: 0.8269 (tptp)
REVERT: b  211 GLU cc_start: 0.8461 (mt-10) cc_final: 0.8175 (mt-10)
REVERT: b  228 GLN cc_start: 0.6148 (OUTLIER) cc_final: 0.5748 (mt0)
REVERT: c  105 GLU cc_start: 0.8402 (OUTLIER) cc_final: 0.7927 (mp0)
REVERT: c  131 GLU cc_start: 0.8585 (mp0) cc_final: 0.8138 (mm-30)
REVERT: c  167 ASN cc_start: 0.8538 (m110) cc_final: 0.8128 (m110)
REVERT: c  175 SER cc_start: 0.8857 (m) cc_final: 0.8646 (t)
REVERT: c  211 GLU cc_start: 0.8559 (mt-10) cc_final: 0.8258 (mt-10)
REVERT: d  194 MET cc_start: 0.8736 (tpp) cc_final: 0.8517 (tpp)
REVERT: f  194 MET cc_start: 0.8726 (tpp) cc_final: 0.8504 (tpp)
REVERT: g  194 MET cc_start: 0.8739 (tpp) cc_final: 0.8524 (tpp)
REVERT: h   74 ARG cc_start: 0.8812 (ttm170) cc_final: 0.8555 (ttm170)
REVERT: h  112 LYS cc_start: 0.8735 (OUTLIER) cc_final: 0.8259 (tptp)
REVERT: h  211 GLU cc_start: 0.8473 (mt-10) cc_final: 0.8189 (mt-10)
REVERT: h  228 GLN cc_start: 0.6166 (OUTLIER) cc_final: 0.5756 (mt0)
REVERT: i  105 GLU cc_start: 0.8652 (mm-30) cc_final: 0.8405 (mm-30)
REVERT: i  144 LYS cc_start: 0.8845 (mtmm) cc_final: 0.8445 (mtmm)
REVERT: i  192 GLU cc_start: 0.8851 (OUTLIER) cc_final: 0.8553 (mm-30)
REVERT: j  105 GLU cc_start: 0.8641 (mm-30) cc_final: 0.8392 (mm-30)
REVERT: j  144 LYS cc_start: 0.8844 (mtmm) cc_final: 0.8450 (mtmm)
REVERT: j  192 GLU cc_start: 0.8826 (OUTLIER) cc_final: 0.8519 (mm-30)
REVERT: k   74 ARG cc_start: 0.8812 (ttm170) cc_final: 0.8560 (ttm170)
REVERT: k  112 LYS cc_start: 0.8762 (OUTLIER) cc_final: 0.8301 (tptp)
REVERT: k  211 GLU cc_start: 0.8472 (mt-10) cc_final: 0.8191 (mt-10)
REVERT: k  228 GLN cc_start: 0.6166 (OUTLIER) cc_final: 0.5760 (mt0)
REVERT: l   74 ARG cc_start: 0.8794 (ttm170) cc_final: 0.8544 (ttm170)
REVERT: l  112 LYS cc_start: 0.8738 (OUTLIER) cc_final: 0.8272 (tptp)
REVERT: l  211 GLU cc_start: 0.8448 (mt-10) cc_final: 0.8147 (mt-10)
REVERT: l  228 GLN cc_start: 0.6171 (OUTLIER) cc_final: 0.5773 (mt0)
REVERT: m  105 GLU cc_start: 0.8638 (mm-30) cc_final: 0.8389 (mm-30)
REVERT: m  144 LYS cc_start: 0.8851 (mtmm) cc_final: 0.8453 (mtmm)
REVERT: m  192 GLU cc_start: 0.8825 (OUTLIER) cc_final: 0.8515 (mm-30)
REVERT: n  194 MET cc_start: 0.8738 (tpp) cc_final: 0.8523 (tpp)
REVERT: o  105 GLU cc_start: 0.8401 (OUTLIER) cc_final: 0.7924 (mp0)
REVERT: o  131 GLU cc_start: 0.8586 (mp0) cc_final: 0.8135 (mm-30)
REVERT: o  167 ASN cc_start: 0.8487 (m-40) cc_final: 0.8135 (m110)
REVERT: o  175 SER cc_start: 0.8853 (m) cc_final: 0.8641 (t)
REVERT: o  211 GLU cc_start: 0.8575 (mt-10) cc_final: 0.8276 (mt-10)
REVERT: p  105 GLU cc_start: 0.8386 (OUTLIER) cc_final: 0.8145 (mp0)
REVERT: p  131 GLU cc_start: 0.8418 (mp0) cc_final: 0.8113 (mp0)
REVERT: p  196 GLN cc_start: 0.8583 (mt0) cc_final: 0.8294 (mt0)
REVERT: q  105 GLU cc_start: 0.8405 (OUTLIER) cc_final: 0.7923 (mp0)
REVERT: q  131 GLU cc_start: 0.8596 (mp0) cc_final: 0.8145 (mm-30)
REVERT: q  167 ASN cc_start: 0.8508 (m-40) cc_final: 0.8141 (m110)
REVERT: q  175 SER cc_start: 0.8856 (m) cc_final: 0.8646 (t)
REVERT: q  211 GLU cc_start: 0.8574 (mt-10) cc_final: 0.8270 (mt-10)
REVERT: r  105 GLU cc_start: 0.8373 (OUTLIER) cc_final: 0.8130 (mp0)
REVERT: r  131 GLU cc_start: 0.8455 (mp0) cc_final: 0.8083 (mp0)
REVERT: r  196 GLN cc_start: 0.8583 (mt0) cc_final: 0.8294 (mt0)
REVERT: s  194 MET cc_start: 0.8725 (tpp) cc_final: 0.8507 (tpp)
REVERT: t  194 MET cc_start: 0.8715 (tpp) cc_final: 0.8496 (tpp)
REVERT: u   74 ARG cc_start: 0.8818 (ttm170) cc_final: 0.8564 (ttm170)
REVERT: u  112 LYS cc_start: 0.8747 (OUTLIER) cc_final: 0.8281 (tptp)
REVERT: u  211 GLU cc_start: 0.8477 (mt-10) cc_final: 0.8191 (mt-10)
REVERT: u  228 GLN cc_start: 0.6148 (OUTLIER) cc_final: 0.5745 (mt0)
REVERT: v  105 GLU cc_start: 0.8641 (mm-30) cc_final: 0.8394 (mm-30)
REVERT: v  144 LYS cc_start: 0.8858 (mtmm) cc_final: 0.8464 (mtmm)
REVERT: v  192 GLU cc_start: 0.8828 (OUTLIER) cc_final: 0.8520 (mm-30)
REVERT: w  105 GLU cc_start: 0.8408 (OUTLIER) cc_final: 0.7937 (mp0)
REVERT: w  131 GLU cc_start: 0.8592 (mp0) cc_final: 0.8140 (mm-30)
REVERT: w  167 ASN cc_start: 0.8533 (m110) cc_final: 0.8113 (m110)
REVERT: w  175 SER cc_start: 0.8855 (m) cc_final: 0.8645 (t)
REVERT: w  211 GLU cc_start: 0.8588 (mt-10) cc_final: 0.8288 (mt-10)
REVERT: x  105 GLU cc_start: 0.8393 (OUTLIER) cc_final: 0.8156 (mp0)
REVERT: x  131 GLU cc_start: 0.8422 (mp0) cc_final: 0.8109 (mp0)
REVERT: x  196 GLN cc_start: 0.8590 (mt0) cc_final: 0.8297 (mt0)
  outliers start: 192
  outliers final: 92
  residues processed: 1880
  average time/residue: 1.8439
  time to fit residues: 4362.0963
Evaluate side-chains
  1871 residues out of total 7140 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 152
    poor density    : 1719
  time to evaluate  : 5.803 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   92 VAL
Chi-restraints excluded: chain B residue  112 LYS
Chi-restraints excluded: chain B residue  193 ASP
Chi-restraints excluded: chain B residue  228 GLN
Chi-restraints excluded: chain C residue  192 GLU
Chi-restraints excluded: chain D residue  192 GLU
Chi-restraints excluded: chain E residue  105 GLU
Chi-restraints excluded: chain E residue  193 ASP
Chi-restraints excluded: chain E residue  221 SER
Chi-restraints excluded: chain F residue  105 GLU
Chi-restraints excluded: chain F residue  178 LEU
Chi-restraints excluded: chain F residue  193 ASP
Chi-restraints excluded: chain F residue  224 GLU
Chi-restraints excluded: chain G residue  112 LYS
Chi-restraints excluded: chain G residue  228 GLN
Chi-restraints excluded: chain H residue  105 GLU
Chi-restraints excluded: chain H residue  193 ASP
Chi-restraints excluded: chain H residue  221 SER
Chi-restraints excluded: chain I residue  112 LYS
Chi-restraints excluded: chain I residue  193 ASP
Chi-restraints excluded: chain I residue  228 GLN
Chi-restraints excluded: chain J residue  192 GLU
Chi-restraints excluded: chain K residue  105 GLU
Chi-restraints excluded: chain K residue  178 LEU
Chi-restraints excluded: chain K residue  193 ASP
Chi-restraints excluded: chain K residue  224 GLU
Chi-restraints excluded: chain L residue  105 GLU
Chi-restraints excluded: chain L residue  112 LYS
Chi-restraints excluded: chain L residue  193 ASP
Chi-restraints excluded: chain M residue   92 VAL
Chi-restraints excluded: chain M residue  105 GLU
Chi-restraints excluded: chain M residue  178 LEU
Chi-restraints excluded: chain M residue  190 THR
Chi-restraints excluded: chain M residue  193 ASP
Chi-restraints excluded: chain M residue  224 GLU
Chi-restraints excluded: chain N residue  105 GLU
Chi-restraints excluded: chain N residue  193 ASP
Chi-restraints excluded: chain N residue  221 SER
Chi-restraints excluded: chain O residue  105 GLU
Chi-restraints excluded: chain O residue  178 LEU
Chi-restraints excluded: chain O residue  190 THR
Chi-restraints excluded: chain O residue  193 ASP
Chi-restraints excluded: chain P residue  112 LYS
Chi-restraints excluded: chain P residue  228 GLN
Chi-restraints excluded: chain Q residue  105 GLU
Chi-restraints excluded: chain Q residue  178 LEU
Chi-restraints excluded: chain Q residue  190 THR
Chi-restraints excluded: chain Q residue  193 ASP
Chi-restraints excluded: chain R residue  105 GLU
Chi-restraints excluded: chain R residue  193 ASP
Chi-restraints excluded: chain R residue  194 MET
Chi-restraints excluded: chain S residue  192 GLU
Chi-restraints excluded: chain T residue  192 GLU
Chi-restraints excluded: chain U residue  105 GLU
Chi-restraints excluded: chain U residue  178 LEU
Chi-restraints excluded: chain U residue  193 ASP
Chi-restraints excluded: chain U residue  224 GLU
Chi-restraints excluded: chain V residue  105 GLU
Chi-restraints excluded: chain V residue  193 ASP
Chi-restraints excluded: chain V residue  194 MET
Chi-restraints excluded: chain V residue  221 SER
Chi-restraints excluded: chain W residue  112 LYS
Chi-restraints excluded: chain W residue  228 GLN
Chi-restraints excluded: chain X residue  112 LYS
Chi-restraints excluded: chain X residue  228 GLN
Chi-restraints excluded: chain Y residue  192 GLU
Chi-restraints excluded: chain Z residue   92 VAL
Chi-restraints excluded: chain 0 residue   92 VAL
Chi-restraints excluded: chain 1 residue   92 VAL
Chi-restraints excluded: chain 2 residue   92 VAL
Chi-restraints excluded: chain 3 residue   92 VAL
Chi-restraints excluded: chain 3 residue  105 GLU
Chi-restraints excluded: chain 3 residue  171 SER
Chi-restraints excluded: chain 3 residue  178 LEU
Chi-restraints excluded: chain 3 residue  190 THR
Chi-restraints excluded: chain 3 residue  193 ASP
Chi-restraints excluded: chain 3 residue  224 GLU
Chi-restraints excluded: chain 4 residue  112 LYS
Chi-restraints excluded: chain 4 residue  193 ASP
Chi-restraints excluded: chain 4 residue  228 GLN
Chi-restraints excluded: chain 5 residue  192 GLU
Chi-restraints excluded: chain 6 residue  105 GLU
Chi-restraints excluded: chain 6 residue  193 ASP
Chi-restraints excluded: chain 6 residue  221 SER
Chi-restraints excluded: chain 7 residue  105 GLU
Chi-restraints excluded: chain 7 residue  171 SER
Chi-restraints excluded: chain 7 residue  178 LEU
Chi-restraints excluded: chain 7 residue  193 ASP
Chi-restraints excluded: chain 7 residue  224 GLU
Chi-restraints excluded: chain 8 residue  105 GLU
Chi-restraints excluded: chain 8 residue  112 LYS
Chi-restraints excluded: chain 8 residue  193 ASP
Chi-restraints excluded: chain 9 residue   92 VAL
Chi-restraints excluded: chain 9 residue  105 GLU
Chi-restraints excluded: chain 9 residue  178 LEU
Chi-restraints excluded: chain 9 residue  193 ASP
Chi-restraints excluded: chain 9 residue  224 GLU
Chi-restraints excluded: chain a residue  192 GLU
Chi-restraints excluded: chain b residue  112 LYS
Chi-restraints excluded: chain b residue  228 GLN
Chi-restraints excluded: chain c residue  105 GLU
Chi-restraints excluded: chain c residue  193 ASP
Chi-restraints excluded: chain c residue  194 MET
Chi-restraints excluded: chain c residue  221 SER
Chi-restraints excluded: chain d residue   92 VAL
Chi-restraints excluded: chain e residue   92 VAL
Chi-restraints excluded: chain f residue   92 VAL
Chi-restraints excluded: chain g residue   92 VAL
Chi-restraints excluded: chain h residue  112 LYS
Chi-restraints excluded: chain h residue  193 ASP
Chi-restraints excluded: chain h residue  228 GLN
Chi-restraints excluded: chain i residue  192 GLU
Chi-restraints excluded: chain j residue  159 THR
Chi-restraints excluded: chain j residue  192 GLU
Chi-restraints excluded: chain k residue  112 LYS
Chi-restraints excluded: chain k residue  228 GLN
Chi-restraints excluded: chain l residue  112 LYS
Chi-restraints excluded: chain l residue  228 GLN
Chi-restraints excluded: chain m residue  192 GLU
Chi-restraints excluded: chain n residue   92 VAL
Chi-restraints excluded: chain o residue  105 GLU
Chi-restraints excluded: chain o residue  193 ASP
Chi-restraints excluded: chain o residue  194 MET
Chi-restraints excluded: chain p residue  105 GLU
Chi-restraints excluded: chain p residue  178 LEU
Chi-restraints excluded: chain p residue  190 THR
Chi-restraints excluded: chain p residue  193 ASP
Chi-restraints excluded: chain p residue  224 GLU
Chi-restraints excluded: chain q residue  105 GLU
Chi-restraints excluded: chain q residue  193 ASP
Chi-restraints excluded: chain q residue  194 MET
Chi-restraints excluded: chain q residue  221 SER
Chi-restraints excluded: chain r residue  105 GLU
Chi-restraints excluded: chain r residue  178 LEU
Chi-restraints excluded: chain r residue  190 THR
Chi-restraints excluded: chain r residue  193 ASP
Chi-restraints excluded: chain r residue  224 GLU
Chi-restraints excluded: chain s residue   92 VAL
Chi-restraints excluded: chain t residue   92 VAL
Chi-restraints excluded: chain u residue  112 LYS
Chi-restraints excluded: chain u residue  228 GLN
Chi-restraints excluded: chain v residue  192 GLU
Chi-restraints excluded: chain w residue  105 GLU
Chi-restraints excluded: chain w residue  193 ASP
Chi-restraints excluded: chain w residue  194 MET
Chi-restraints excluded: chain x residue   92 VAL
Chi-restraints excluded: chain x residue  105 GLU
Chi-restraints excluded: chain x residue  171 SER
Chi-restraints excluded: chain x residue  178 LEU
Chi-restraints excluded: chain x residue  190 THR
Chi-restraints excluded: chain x residue  193 ASP
Chi-restraints excluded: chain x residue  224 GLU
Rotamers are restrained with sigma=1.50
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 900
   random chunks:
   chunk 475 optimal weight:    2.9990
   chunk 74 optimal weight:    3.9990
   chunk 860 optimal weight:    3.9990
   chunk 851 optimal weight:    3.9990
   chunk 574 optimal weight:    3.9990
   chunk 247 optimal weight:    1.9990
   chunk 166 optimal weight:    3.9990
   chunk 98 optimal weight:    9.9990
   chunk 692 optimal weight:    0.6980
   chunk 757 optimal weight:    2.9990
   chunk 561 optimal weight:    3.9990
   overall best weight:    2.5388

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

Flipped N/Q/H residues before XYZ refinement:
E 196 GLN
H 196 GLN
L 196 GLN
N 167 ASN
N 196 GLN
R 196 GLN
V 167 ASN
V 196 GLN
6 196 GLN
8 196 GLN
c 196 GLN
o 196 GLN
q 196 GLN
w 196 GLN

Total number of N/Q/H flips: 14

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3220 r_free = 0.3220 target = 0.113735 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 38)----------------|
| r_work = 0.2943 r_free = 0.2943 target = 0.094007 restraints weight = 76236.580|
|-----------------------------------------------------------------------------|
r_work (start): 0.2937 rms_B_bonded: 1.52
r_work: 0.2796 rms_B_bonded: 2.12 restraints_weight: 0.5000
r_work: 0.2646 rms_B_bonded: 3.51 restraints_weight: 0.2500
r_work (final): 0.2646
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8575
moved from start:          0.2794

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.004   0.033  70560  Z= 0.293
  Angle     :  0.490   6.839  95640  Z= 0.263
  Chirality :  0.050   0.138  11220
  Planarity :  0.004   0.038  12480
  Dihedral  :  5.032  86.433  10116
  Min Nonbonded Distance : 2.553

Molprobity Statistics.
  All-atom Clashscore : 5.64
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  1.53 %
    Favored  : 98.47 %
  Rotamer:
    Outliers :  3.24 %
    Allowed  : 14.85 %
    Favored  : 81.92 %
  Cbeta Deviations :  0.00 %
  Peptide Plane:
    Cis-proline     : 0.00 %
    Cis-general     : 0.00 %
    Twisted Proline : 0.00 %
    Twisted General : 0.00 %

Rama-Z (Ramachandran plot Z-score):
Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2.
Scores for whole/helix/sheet/loop are scaled independently;
therefore, the values are not related in a simple manner.
  whole:  0.76 (0.09), residues: 9300
  helix:  1.55 (0.08), residues: 4500
  sheet: -1.93 (0.10), residues: 2280
  loop :  1.42 (0.13), residues: 2520

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.008   0.002   TRP o 125 
 HIS   0.005   0.001   HIS 8 146 
 PHE   0.012   0.002   PHE Q  95 
 TYR   0.009   0.002   TYR g 114 
 ARG   0.006   0.001   ARG r  94 

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

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

  18600 Ramachandran restraints generated.
    9300 Oldfield, 0 Emsley, 9300 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  18600 Ramachandran restraints generated.
    9300 Oldfield, 0 Emsley, 9300 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  1991 residues out of total 7140 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 231
    poor density    : 1760
  time to evaluate  : 5.893 
Fit side-chains
REVERT: B   74 ARG cc_start: 0.8807 (ttm170) cc_final: 0.8585 (ttm170)
REVERT: B  112 LYS cc_start: 0.8827 (OUTLIER) cc_final: 0.8377 (tptp)
REVERT: B  211 GLU cc_start: 0.8558 (mt-10) cc_final: 0.8264 (mt-10)
REVERT: B  218 GLU cc_start: 0.8720 (OUTLIER) cc_final: 0.8480 (tt0)
REVERT: B  228 GLN cc_start: 0.6143 (OUTLIER) cc_final: 0.5724 (mt0)
REVERT: C  105 GLU cc_start: 0.8595 (mm-30) cc_final: 0.8379 (mm-30)
REVERT: C  144 LYS cc_start: 0.8917 (mtmm) cc_final: 0.8504 (mtmm)
REVERT: C  192 GLU cc_start: 0.8861 (OUTLIER) cc_final: 0.8512 (mm-30)
REVERT: C  195 ASP cc_start: 0.7532 (t70) cc_final: 0.7238 (t70)
REVERT: D  105 GLU cc_start: 0.8602 (mm-30) cc_final: 0.8386 (mm-30)
REVERT: D  144 LYS cc_start: 0.8922 (mtmm) cc_final: 0.8510 (mtmm)
REVERT: D  192 GLU cc_start: 0.8886 (OUTLIER) cc_final: 0.8538 (mm-30)
REVERT: D  195 ASP cc_start: 0.7521 (t70) cc_final: 0.7226 (t70)
REVERT: E  105 GLU cc_start: 0.8416 (OUTLIER) cc_final: 0.7975 (mp0)
REVERT: E  131 GLU cc_start: 0.8597 (mp0) cc_final: 0.8211 (mm-30)
REVERT: E  167 ASN cc_start: 0.8506 (m110) cc_final: 0.8100 (m110)
REVERT: E  175 SER cc_start: 0.8870 (m) cc_final: 0.8581 (t)
REVERT: E  204 LYS cc_start: 0.8623 (OUTLIER) cc_final: 0.8109 (mmpt)
REVERT: E  211 GLU cc_start: 0.8620 (mt-10) cc_final: 0.8315 (mt-10)
REVERT: F  105 GLU cc_start: 0.8368 (OUTLIER) cc_final: 0.8125 (mp0)
REVERT: F  131 GLU cc_start: 0.8614 (mp0) cc_final: 0.8304 (mp0)
REVERT: F  192 GLU cc_start: 0.8729 (OUTLIER) cc_final: 0.8176 (mp0)
REVERT: F  196 GLN cc_start: 0.8732 (mt0) cc_final: 0.8422 (mt0)
REVERT: G   74 ARG cc_start: 0.8812 (ttm170) cc_final: 0.8589 (ttm170)
REVERT: G  112 LYS cc_start: 0.8804 (OUTLIER) cc_final: 0.8355 (tptp)
REVERT: G  211 GLU cc_start: 0.8564 (mt-10) cc_final: 0.8276 (mt-10)
REVERT: G  218 GLU cc_start: 0.8733 (OUTLIER) cc_final: 0.8488 (tt0)
REVERT: G  228 GLN cc_start: 0.6134 (OUTLIER) cc_final: 0.5716 (mt0)
REVERT: H  105 GLU cc_start: 0.8436 (OUTLIER) cc_final: 0.7998 (mp0)
REVERT: H  131 GLU cc_start: 0.8610 (mp0) cc_final: 0.8205 (mm-30)
REVERT: H  167 ASN cc_start: 0.8447 (m-40) cc_final: 0.8060 (m110)
REVERT: H  175 SER cc_start: 0.8858 (m) cc_final: 0.8569 (t)
REVERT: H  204 LYS cc_start: 0.8623 (OUTLIER) cc_final: 0.8113 (mmpt)
REVERT: H  211 GLU cc_start: 0.8645 (mt-10) cc_final: 0.8364 (mt-10)
REVERT: H  218 GLU cc_start: 0.8704 (OUTLIER) cc_final: 0.7945 (mt-10)
REVERT: I   74 ARG cc_start: 0.8824 (ttm170) cc_final: 0.8603 (ttm170)
REVERT: I  112 LYS cc_start: 0.8802 (OUTLIER) cc_final: 0.8351 (tptp)
REVERT: I  211 GLU cc_start: 0.8516 (mt-10) cc_final: 0.8221 (mt-10)
REVERT: I  228 GLN cc_start: 0.6119 (OUTLIER) cc_final: 0.5726 (mt0)
REVERT: J  105 GLU cc_start: 0.8587 (mm-30) cc_final: 0.8373 (mm-30)
REVERT: J  144 LYS cc_start: 0.8915 (mtmm) cc_final: 0.8507 (mtmm)
REVERT: J  192 GLU cc_start: 0.8873 (OUTLIER) cc_final: 0.8528 (mm-30)
REVERT: J  195 ASP cc_start: 0.7520 (t70) cc_final: 0.7230 (t70)
REVERT: K  105 GLU cc_start: 0.8374 (OUTLIER) cc_final: 0.8133 (mp0)
REVERT: K  131 GLU cc_start: 0.8618 (mp0) cc_final: 0.8308 (mp0)
REVERT: K  192 GLU cc_start: 0.8752 (OUTLIER) cc_final: 0.8197 (mp0)
REVERT: K  196 GLN cc_start: 0.8736 (mt0) cc_final: 0.8430 (mt0)
REVERT: K  218 GLU cc_start: 0.8694 (OUTLIER) cc_final: 0.8386 (tt0)
REVERT: L  105 GLU cc_start: 0.8434 (OUTLIER) cc_final: 0.7997 (mp0)
REVERT: L  131 GLU cc_start: 0.8613 (mp0) cc_final: 0.8208 (mm-30)
REVERT: L  167 ASN cc_start: 0.8500 (m110) cc_final: 0.8087 (m110)
REVERT: L  175 SER cc_start: 0.8864 (m) cc_final: 0.8578 (t)
REVERT: L  211 GLU cc_start: 0.8634 (mt-10) cc_final: 0.8344 (mt-10)
REVERT: M  105 GLU cc_start: 0.8374 (OUTLIER) cc_final: 0.8128 (mp0)
REVERT: M  131 GLU cc_start: 0.8602 (mp0) cc_final: 0.8225 (mp0)
REVERT: M  192 GLU cc_start: 0.8740 (OUTLIER) cc_final: 0.8185 (mp0)
REVERT: M  196 GLN cc_start: 0.8729 (mt0) cc_final: 0.8419 (mt0)
REVERT: M  218 GLU cc_start: 0.8701 (OUTLIER) cc_final: 0.8393 (tt0)
REVERT: N  105 GLU cc_start: 0.8450 (OUTLIER) cc_final: 0.8008 (mp0)
REVERT: N  131 GLU cc_start: 0.8610 (mp0) cc_final: 0.8227 (mm-30)
REVERT: N  167 ASN cc_start: 0.8494 (m-40) cc_final: 0.8122 (m110)
REVERT: N  175 SER cc_start: 0.8867 (m) cc_final: 0.8582 (t)
REVERT: N  211 GLU cc_start: 0.8634 (mt-10) cc_final: 0.8351 (mt-10)
REVERT: N  218 GLU cc_start: 0.8717 (OUTLIER) cc_final: 0.7963 (mt-10)
REVERT: O  105 GLU cc_start: 0.8384 (OUTLIER) cc_final: 0.8141 (mp0)
REVERT: O  131 GLU cc_start: 0.8611 (mp0) cc_final: 0.8297 (mp0)
REVERT: O  192 GLU cc_start: 0.8734 (OUTLIER) cc_final: 0.8173 (mp0)
REVERT: O  196 GLN cc_start: 0.8732 (mt0) cc_final: 0.8418 (mt0)
REVERT: O  218 GLU cc_start: 0.8689 (OUTLIER) cc_final: 0.8384 (tt0)
REVERT: P   74 ARG cc_start: 0.8795 (ttm170) cc_final: 0.8562 (ttm170)
REVERT: P  112 LYS cc_start: 0.8814 (OUTLIER) cc_final: 0.8365 (tptp)
REVERT: P  211 GLU cc_start: 0.8538 (mt-10) cc_final: 0.8238 (mt-10)
REVERT: P  218 GLU cc_start: 0.8714 (OUTLIER) cc_final: 0.8459 (tt0)
REVERT: P  228 GLN cc_start: 0.6131 (OUTLIER) cc_final: 0.5713 (mt0)
REVERT: Q  105 GLU cc_start: 0.8403 (OUTLIER) cc_final: 0.8162 (mp0)
REVERT: Q  131 GLU cc_start: 0.8616 (mp0) cc_final: 0.8304 (mp0)
REVERT: Q  192 GLU cc_start: 0.8728 (OUTLIER) cc_final: 0.8173 (mp0)
REVERT: Q  196 GLN cc_start: 0.8726 (mt0) cc_final: 0.8414 (mt0)
REVERT: Q  218 GLU cc_start: 0.8694 (OUTLIER) cc_final: 0.8391 (tt0)
REVERT: R  105 GLU cc_start: 0.8422 (OUTLIER) cc_final: 0.7981 (mp0)
REVERT: R  131 GLU cc_start: 0.8607 (mp0) cc_final: 0.8207 (mm-30)
REVERT: R  167 ASN cc_start: 0.8435 (m-40) cc_final: 0.8057 (m110)
REVERT: R  175 SER cc_start: 0.8858 (m) cc_final: 0.8571 (t)
REVERT: R  204 LYS cc_start: 0.8630 (OUTLIER) cc_final: 0.8122 (mmpt)
REVERT: R  211 GLU cc_start: 0.8612 (mt-10) cc_final: 0.8306 (mt-10)
REVERT: S  105 GLU cc_start: 0.8601 (mm-30) cc_final: 0.8384 (mm-30)
REVERT: S  144 LYS cc_start: 0.8924 (mtmm) cc_final: 0.8516 (mtmm)
REVERT: S  192 GLU cc_start: 0.8889 (OUTLIER) cc_final: 0.8547 (mm-30)
REVERT: S  195 ASP cc_start: 0.7527 (t70) cc_final: 0.7234 (t70)
REVERT: T  105 GLU cc_start: 0.8585 (mm-30) cc_final: 0.8370 (mm-30)
REVERT: T  144 LYS cc_start: 0.8935 (mtmm) cc_final: 0.8529 (mtmm)
REVERT: T  192 GLU cc_start: 0.8889 (OUTLIER) cc_final: 0.8547 (mm-30)
REVERT: T  195 ASP cc_start: 0.7509 (t70) cc_final: 0.7216 (t70)
REVERT: U  105 GLU cc_start: 0.8362 (OUTLIER) cc_final: 0.8122 (mp0)
REVERT: U  131 GLU cc_start: 0.8613 (mp0) cc_final: 0.8304 (mp0)
REVERT: U  192 GLU cc_start: 0.8736 (OUTLIER) cc_final: 0.8180 (mp0)
REVERT: U  196 GLN cc_start: 0.8735 (mt0) cc_final: 0.8431 (mt0)
REVERT: U  218 GLU cc_start: 0.8693 (OUTLIER) cc_final: 0.8384 (tt0)
REVERT: V  105 GLU cc_start: 0.8443 (OUTLIER) cc_final: 0.7996 (mp0)
REVERT: V  131 GLU cc_start: 0.8610 (mp0) cc_final: 0.8210 (mm-30)
REVERT: V  167 ASN cc_start: 0.8484 (m-40) cc_final: 0.8105 (m110)
REVERT: V  175 SER cc_start: 0.8867 (m) cc_final: 0.8578 (t)
REVERT: V  204 LYS cc_start: 0.8630 (OUTLIER) cc_final: 0.8120 (mmpt)
REVERT: V  211 GLU cc_start: 0.8617 (mt-10) cc_final: 0.8316 (mt-10)
REVERT: W   74 ARG cc_start: 0.8804 (ttm170) cc_final: 0.8570 (ttm170)
REVERT: W  112 LYS cc_start: 0.8805 (OUTLIER) cc_final: 0.8355 (tptp)
REVERT: W  211 GLU cc_start: 0.8568 (mt-10) cc_final: 0.8272 (mt-10)
REVERT: W  218 GLU cc_start: 0.8706 (OUTLIER) cc_final: 0.8448 (tt0)
REVERT: W  228 GLN cc_start: 0.6125 (OUTLIER) cc_final: 0.5708 (mt0)
REVERT: X   74 ARG cc_start: 0.8805 (ttm170) cc_final: 0.8581 (ttm170)
REVERT: X  112 LYS cc_start: 0.8834 (OUTLIER) cc_final: 0.8384 (tptp)
REVERT: X  211 GLU cc_start: 0.8566 (mt-10) cc_final: 0.8271 (mt-10)
REVERT: X  218 GLU cc_start: 0.8699 (OUTLIER) cc_final: 0.8453 (tt0)
REVERT: X  228 GLN cc_start: 0.6144 (OUTLIER) cc_final: 0.5726 (mt0)
REVERT: Y  105 GLU cc_start: 0.8594 (mm-30) cc_final: 0.8382 (mm-30)
REVERT: Y  144 LYS cc_start: 0.8919 (mtmm) cc_final: 0.8511 (mtmm)
REVERT: Y  192 GLU cc_start: 0.8869 (OUTLIER) cc_final: 0.8524 (mm-30)
REVERT: Y  195 ASP cc_start: 0.7533 (t70) cc_final: 0.7242 (t70)
REVERT: 3  105 GLU cc_start: 0.8393 (OUTLIER) cc_final: 0.8153 (mp0)
REVERT: 3  131 GLU cc_start: 0.8500 (mp0) cc_final: 0.8136 (mp0)
REVERT: 3  192 GLU cc_start: 0.8747 (OUTLIER) cc_final: 0.8196 (mp0)
REVERT: 3  196 GLN cc_start: 0.8746 (mt0) cc_final: 0.8437 (mt0)
REVERT: 3  218 GLU cc_start: 0.8684 (OUTLIER) cc_final: 0.8377 (tt0)
REVERT: 4   74 ARG cc_start: 0.8813 (ttm170) cc_final: 0.8594 (ttm170)
REVERT: 4  112 LYS cc_start: 0.8814 (OUTLIER) cc_final: 0.8369 (tptp)
REVERT: 4  211 GLU cc_start: 0.8507 (mt-10) cc_final: 0.8216 (mt-10)
REVERT: 4  228 GLN cc_start: 0.6119 (OUTLIER) cc_final: 0.5720 (mt0)
REVERT: 5  105 GLU cc_start: 0.8577 (mm-30) cc_final: 0.8361 (mm-30)
REVERT: 5  144 LYS cc_start: 0.8919 (mtmm) cc_final: 0.8508 (mtmm)
REVERT: 5  192 GLU cc_start: 0.8858 (OUTLIER) cc_final: 0.8477 (mm-30)
REVERT: 5  195 ASP cc_start: 0.7517 (t70) cc_final: 0.7228 (t70)
REVERT: 6  105 GLU cc_start: 0.8424 (OUTLIER) cc_final: 0.7983 (mp0)
REVERT: 6  131 GLU cc_start: 0.8609 (mp0) cc_final: 0.8193 (mm-30)
REVERT: 6  167 ASN cc_start: 0.8505 (m110) cc_final: 0.8102 (m110)
REVERT: 6  175 SER cc_start: 0.8856 (m) cc_final: 0.8578 (t)
REVERT: 6  211 GLU cc_start: 0.8626 (mt-10) cc_final: 0.8335 (mt-10)
REVERT: 6  219 MET cc_start: 0.9012 (mmm) cc_final: 0.8799 (mmp)
REVERT: 7  105 GLU cc_start: 0.8396 (OUTLIER) cc_final: 0.8156 (mp0)
REVERT: 7  131 GLU cc_start: 0.8601 (mp0) cc_final: 0.8226 (mp0)
REVERT: 7  192 GLU cc_start: 0.8731 (OUTLIER) cc_final: 0.8174 (mp0)
REVERT: 7  196 GLN cc_start: 0.8749 (mt0) cc_final: 0.8441 (mt0)
REVERT: 8  105 GLU cc_start: 0.8449 (OUTLIER) cc_final: 0.8009 (mp0)
REVERT: 8  131 GLU cc_start: 0.8602 (mp0) cc_final: 0.8199 (mm-30)
REVERT: 8  167 ASN cc_start: 0.8440 (m-40) cc_final: 0.8068 (m110)
REVERT: 8  175 SER cc_start: 0.8874 (m) cc_final: 0.8588 (t)
REVERT: 8  211 GLU cc_start: 0.8619 (mt-10) cc_final: 0.8325 (mt-10)
REVERT: 9  105 GLU cc_start: 0.8379 (OUTLIER) cc_final: 0.8137 (mp0)
REVERT: 9  131 GLU cc_start: 0.8498 (mp0) cc_final: 0.8131 (mp0)
REVERT: 9  192 GLU cc_start: 0.8743 (OUTLIER) cc_final: 0.8187 (mp0)
REVERT: 9  196 GLN cc_start: 0.8735 (mt0) cc_final: 0.8428 (mt0)
REVERT: 9  218 GLU cc_start: 0.8702 (OUTLIER) cc_final: 0.8396 (tt0)
REVERT: a  105 GLU cc_start: 0.8596 (mm-30) cc_final: 0.8381 (mm-30)
REVERT: a  144 LYS cc_start: 0.8923 (mtmm) cc_final: 0.8513 (mtmm)
REVERT: a  192 GLU cc_start: 0.8872 (OUTLIER) cc_final: 0.8498 (mm-30)
REVERT: a  195 ASP cc_start: 0.7496 (t70) cc_final: 0.7205 (t70)
REVERT: b   74 ARG cc_start: 0.8821 (ttm170) cc_final: 0.8599 (ttm170)
REVERT: b  112 LYS cc_start: 0.8803 (OUTLIER) cc_final: 0.8356 (tptp)
REVERT: b  211 GLU cc_start: 0.8507 (mt-10) cc_final: 0.8206 (mt-10)
REVERT: b  228 GLN cc_start: 0.6118 (OUTLIER) cc_final: 0.5719 (mt0)
REVERT: c  105 GLU cc_start: 0.8437 (OUTLIER) cc_final: 0.7993 (mp0)
REVERT: c  131 GLU cc_start: 0.8604 (mp0) cc_final: 0.8184 (mm-30)
REVERT: c  167 ASN cc_start: 0.8509 (m110) cc_final: 0.8104 (m110)
REVERT: c  175 SER cc_start: 0.8882 (m) cc_final: 0.8596 (t)
REVERT: c  211 GLU cc_start: 0.8607 (mt-10) cc_final: 0.8308 (mt-10)
REVERT: h   74 ARG cc_start: 0.8817 (ttm170) cc_final: 0.8594 (ttm170)
REVERT: h  112 LYS cc_start: 0.8816 (OUTLIER) cc_final: 0.8363 (tptp)
REVERT: h  211 GLU cc_start: 0.8504 (mt-10) cc_final: 0.8209 (mt-10)
REVERT: h  228 GLN cc_start: 0.6124 (OUTLIER) cc_final: 0.5734 (mt0)
REVERT: i  105 GLU cc_start: 0.8593 (mm-30) cc_final: 0.8376 (mm-30)
REVERT: i  144 LYS cc_start: 0.8937 (mtmm) cc_final: 0.8528 (mtmm)
REVERT: i  192 GLU cc_start: 0.8888 (OUTLIER) cc_final: 0.8541 (mm-30)
REVERT: i  195 ASP cc_start: 0.7504 (t70) cc_final: 0.7209 (t70)
REVERT: j  105 GLU cc_start: 0.8580 (mm-30) cc_final: 0.8366 (mm-30)
REVERT: j  144 LYS cc_start: 0.8925 (mtmm) cc_final: 0.8521 (mtmm)
REVERT: j  192 GLU cc_start: 0.8848 (OUTLIER) cc_final: 0.8499 (mm-30)
REVERT: j  195 ASP cc_start: 0.7523 (t70) cc_final: 0.7230 (t70)
REVERT: k   74 ARG cc_start: 0.8822 (ttm170) cc_final: 0.8608 (ttm170)
REVERT: k  112 LYS cc_start: 0.8826 (OUTLIER) cc_final: 0.8385 (tptp)
REVERT: k  211 GLU cc_start: 0.8516 (mt-10) cc_final: 0.8227 (mt-10)
REVERT: k  228 GLN cc_start: 0.6122 (OUTLIER) cc_final: 0.5722 (mt0)
REVERT: l   74 ARG cc_start: 0.8802 (ttm170) cc_final: 0.8573 (ttm170)
REVERT: l  112 LYS cc_start: 0.8821 (OUTLIER) cc_final: 0.8376 (tptp)
REVERT: l  211 GLU cc_start: 0.8488 (mt-10) cc_final: 0.8185 (mt-10)
REVERT: l  228 GLN cc_start: 0.6122 (OUTLIER) cc_final: 0.5726 (mt0)
REVERT: m  105 GLU cc_start: 0.8593 (mm-30) cc_final: 0.8377 (mm-30)
REVERT: m  144 LYS cc_start: 0.8929 (mtmm) cc_final: 0.8522 (mtmm)
REVERT: m  192 GLU cc_start: 0.8871 (OUTLIER) cc_final: 0.8523 (mm-30)
REVERT: m  195 ASP cc_start: 0.7531 (t70) cc_final: 0.7242 (t70)
REVERT: o  105 GLU cc_start: 0.8402 (OUTLIER) cc_final: 0.7969 (mp0)
REVERT: o  131 GLU cc_start: 0.8600 (mp0) cc_final: 0.8176 (mm-30)
REVERT: o  167 ASN cc_start: 0.8428 (m-40) cc_final: 0.8055 (m110)
REVERT: o  175 SER cc_start: 0.8874 (m) cc_final: 0.8583 (t)
REVERT: o  204 LYS cc_start: 0.8638 (OUTLIER) cc_final: 0.8145 (mmpt)
REVERT: o  211 GLU cc_start: 0.8612 (mt-10) cc_final: 0.8318 (mt-10)
REVERT: p  105 GLU cc_start: 0.8398 (OUTLIER) cc_final: 0.8154 (mp0)
REVERT: p  131 GLU cc_start: 0.8594 (mp0) cc_final: 0.8217 (mp0)
REVERT: p  192 GLU cc_start: 0.8729 (OUTLIER) cc_final: 0.8167 (mp0)
REVERT: p  196 GLN cc_start: 0.8741 (mt0) cc_final: 0.8433 (mt0)
REVERT: q  105 GLU cc_start: 0.8446 (OUTLIER) cc_final: 0.8002 (mp0)
REVERT: q  131 GLU cc_start: 0.8612 (mp0) cc_final: 0.8193 (mm-30)
REVERT: q  167 ASN cc_start: 0.8452 (m-40) cc_final: 0.8075 (m110)
REVERT: q  175 SER cc_start: 0.8867 (m) cc_final: 0.8580 (t)
REVERT: q  211 GLU cc_start: 0.8617 (mt-10) cc_final: 0.8317 (mt-10)
REVERT: r  105 GLU cc_start: 0.8370 (OUTLIER) cc_final: 0.8129 (mp0)
REVERT: r  131 GLU cc_start: 0.8573 (mp0) cc_final: 0.8229 (mp0)
REVERT: r  192 GLU cc_start: 0.8730 (OUTLIER) cc_final: 0.8174 (mp0)
REVERT: r  196 GLN cc_start: 0.8735 (mt0) cc_final: 0.8427 (mt0)
REVERT: u   74 ARG cc_start: 0.8818 (ttm170) cc_final: 0.8590 (ttm170)
REVERT: u  112 LYS cc_start: 0.8807 (OUTLIER) cc_final: 0.8361 (tptp)
REVERT: u  211 GLU cc_start: 0.8531 (mt-10) cc_final: 0.8229 (mt-10)
REVERT: u  228 GLN cc_start: 0.6109 (OUTLIER) cc_final: 0.5717 (mt0)
REVERT: v  105 GLU cc_start: 0.8592 (mm-30) cc_final: 0.8376 (mm-30)
REVERT: v  144 LYS cc_start: 0.8941 (mtmm) cc_final: 0.8537 (mtmm)
REVERT: v  192 GLU cc_start: 0.8871 (OUTLIER) cc_final: 0.8523 (mm-30)
REVERT: v  195 ASP cc_start: 0.7539 (t70) cc_final: 0.7249 (t70)
REVERT: w  105 GLU cc_start: 0.8432 (OUTLIER) cc_final: 0.7990 (mp0)
REVERT: w  131 GLU cc_start: 0.8613 (mp0) cc_final: 0.8191 (mm-30)
REVERT: w  167 ASN cc_start: 0.8500 (m110) cc_final: 0.8082 (m110)
REVERT: w  175 SER cc_start: 0.8863 (m) cc_final: 0.8574 (t)
REVERT: w  204 LYS cc_start: 0.8627 (OUTLIER) cc_final: 0.8131 (mmpt)
REVERT: w  211 GLU cc_start: 0.8628 (mt-10) cc_final: 0.8337 (mt-10)
REVERT: x  105 GLU cc_start: 0.8387 (OUTLIER) cc_final: 0.8145 (mp0)
REVERT: x  131 GLU cc_start: 0.8609 (mp0) cc_final: 0.8236 (mp0)
REVERT: x  192 GLU cc_start: 0.8720 (OUTLIER) cc_final: 0.8167 (mp0)
REVERT: x  196 GLN cc_start: 0.8749 (mt0) cc_final: 0.8443 (mt0)
  outliers start: 231
  outliers final: 120
  residues processed: 1858
  average time/residue: 1.8507
  time to fit residues: 4281.6866
Evaluate side-chains
  1951 residues out of total 7140 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 212
    poor density    : 1739
  time to evaluate  : 5.876 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   92 VAL
Chi-restraints excluded: chain B residue  112 LYS
Chi-restraints excluded: chain B residue  178 LEU
Chi-restraints excluded: chain B residue  193 ASP
Chi-restraints excluded: chain B residue  218 GLU
Chi-restraints excluded: chain B residue  228 GLN
Chi-restraints excluded: chain C residue  192 GLU
Chi-restraints excluded: chain D residue  192 GLU
Chi-restraints excluded: chain E residue   92 VAL
Chi-restraints excluded: chain E residue  105 GLU
Chi-restraints excluded: chain E residue  112 LYS
Chi-restraints excluded: chain E residue  193 ASP
Chi-restraints excluded: chain E residue  204 LYS
Chi-restraints excluded: chain E residue  221 SER
Chi-restraints excluded: chain F residue   92 VAL
Chi-restraints excluded: chain F residue  105 GLU
Chi-restraints excluded: chain F residue  178 LEU
Chi-restraints excluded: chain F residue  190 THR
Chi-restraints excluded: chain F residue  192 GLU
Chi-restraints excluded: chain F residue  193 ASP
Chi-restraints excluded: chain F residue  224 GLU
Chi-restraints excluded: chain G residue  112 LYS
Chi-restraints excluded: chain G residue  178 LEU
Chi-restraints excluded: chain G residue  218 GLU
Chi-restraints excluded: chain G residue  228 GLN
Chi-restraints excluded: chain H residue   92 VAL
Chi-restraints excluded: chain H residue  105 GLU
Chi-restraints excluded: chain H residue  112 LYS
Chi-restraints excluded: chain H residue  193 ASP
Chi-restraints excluded: chain H residue  204 LYS
Chi-restraints excluded: chain H residue  218 GLU
Chi-restraints excluded: chain H residue  221 SER
Chi-restraints excluded: chain I residue  112 LYS
Chi-restraints excluded: chain I residue  178 LEU
Chi-restraints excluded: chain I residue  193 ASP
Chi-restraints excluded: chain I residue  228 GLN
Chi-restraints excluded: chain J residue  192 GLU
Chi-restraints excluded: chain K residue   92 VAL
Chi-restraints excluded: chain K residue  105 GLU
Chi-restraints excluded: chain K residue  178 LEU
Chi-restraints excluded: chain K residue  190 THR
Chi-restraints excluded: chain K residue  192 GLU
Chi-restraints excluded: chain K residue  193 ASP
Chi-restraints excluded: chain K residue  218 GLU
Chi-restraints excluded: chain K residue  224 GLU
Chi-restraints excluded: chain L residue   92 VAL
Chi-restraints excluded: chain L residue  105 GLU
Chi-restraints excluded: chain L residue  112 LYS
Chi-restraints excluded: chain L residue  193 ASP
Chi-restraints excluded: chain M residue   92 VAL
Chi-restraints excluded: chain M residue  105 GLU
Chi-restraints excluded: chain M residue  178 LEU
Chi-restraints excluded: chain M residue  190 THR
Chi-restraints excluded: chain M residue  192 GLU
Chi-restraints excluded: chain M residue  193 ASP
Chi-restraints excluded: chain M residue  218 GLU
Chi-restraints excluded: chain M residue  224 GLU
Chi-restraints excluded: chain N residue   92 VAL
Chi-restraints excluded: chain N residue  105 GLU
Chi-restraints excluded: chain N residue  193 ASP
Chi-restraints excluded: chain N residue  218 GLU
Chi-restraints excluded: chain N residue  221 SER
Chi-restraints excluded: chain O residue   92 VAL
Chi-restraints excluded: chain O residue  105 GLU
Chi-restraints excluded: chain O residue  178 LEU
Chi-restraints excluded: chain O residue  190 THR
Chi-restraints excluded: chain O residue  192 GLU
Chi-restraints excluded: chain O residue  193 ASP
Chi-restraints excluded: chain O residue  218 GLU
Chi-restraints excluded: chain P residue  112 LYS
Chi-restraints excluded: chain P residue  178 LEU
Chi-restraints excluded: chain P residue  218 GLU
Chi-restraints excluded: chain P residue  228 GLN
Chi-restraints excluded: chain Q residue   92 VAL
Chi-restraints excluded: chain Q residue  105 GLU
Chi-restraints excluded: chain Q residue  178 LEU
Chi-restraints excluded: chain Q residue  190 THR
Chi-restraints excluded: chain Q residue  192 GLU
Chi-restraints excluded: chain Q residue  193 ASP
Chi-restraints excluded: chain Q residue  218 GLU
Chi-restraints excluded: chain R residue   92 VAL
Chi-restraints excluded: chain R residue  105 GLU
Chi-restraints excluded: chain R residue  193 ASP
Chi-restraints excluded: chain R residue  204 LYS
Chi-restraints excluded: chain S residue  159 THR
Chi-restraints excluded: chain S residue  192 GLU
Chi-restraints excluded: chain T residue  192 GLU
Chi-restraints excluded: chain U residue  105 GLU
Chi-restraints excluded: chain U residue  178 LEU
Chi-restraints excluded: chain U residue  190 THR
Chi-restraints excluded: chain U residue  192 GLU
Chi-restraints excluded: chain U residue  193 ASP
Chi-restraints excluded: chain U residue  218 GLU
Chi-restraints excluded: chain U residue  224 GLU
Chi-restraints excluded: chain V residue   92 VAL
Chi-restraints excluded: chain V residue  105 GLU
Chi-restraints excluded: chain V residue  193 ASP
Chi-restraints excluded: chain V residue  204 LYS
Chi-restraints excluded: chain V residue  221 SER
Chi-restraints excluded: chain W residue  112 LYS
Chi-restraints excluded: chain W residue  178 LEU
Chi-restraints excluded: chain W residue  218 GLU
Chi-restraints excluded: chain W residue  228 GLN
Chi-restraints excluded: chain X residue  112 LYS
Chi-restraints excluded: chain X residue  178 LEU
Chi-restraints excluded: chain X residue  218 GLU
Chi-restraints excluded: chain X residue  228 GLN
Chi-restraints excluded: chain Y residue  192 GLU
Chi-restraints excluded: chain Z residue   92 VAL
Chi-restraints excluded: chain 1 residue   92 VAL
Chi-restraints excluded: chain 3 residue   92 VAL
Chi-restraints excluded: chain 3 residue  105 GLU
Chi-restraints excluded: chain 3 residue  171 SER
Chi-restraints excluded: chain 3 residue  178 LEU
Chi-restraints excluded: chain 3 residue  190 THR
Chi-restraints excluded: chain 3 residue  192 GLU
Chi-restraints excluded: chain 3 residue  193 ASP
Chi-restraints excluded: chain 3 residue  218 GLU
Chi-restraints excluded: chain 3 residue  224 GLU
Chi-restraints excluded: chain 4 residue  112 LYS
Chi-restraints excluded: chain 4 residue  178 LEU
Chi-restraints excluded: chain 4 residue  193 ASP
Chi-restraints excluded: chain 4 residue  228 GLN
Chi-restraints excluded: chain 5 residue  192 GLU
Chi-restraints excluded: chain 6 residue   92 VAL
Chi-restraints excluded: chain 6 residue  105 GLU
Chi-restraints excluded: chain 6 residue  193 ASP
Chi-restraints excluded: chain 6 residue  221 SER
Chi-restraints excluded: chain 7 residue   92 VAL
Chi-restraints excluded: chain 7 residue  105 GLU
Chi-restraints excluded: chain 7 residue  171 SER
Chi-restraints excluded: chain 7 residue  178 LEU
Chi-restraints excluded: chain 7 residue  190 THR
Chi-restraints excluded: chain 7 residue  192 GLU
Chi-restraints excluded: chain 7 residue  193 ASP
Chi-restraints excluded: chain 7 residue  224 GLU
Chi-restraints excluded: chain 8 residue   92 VAL
Chi-restraints excluded: chain 8 residue  105 GLU
Chi-restraints excluded: chain 8 residue  112 LYS
Chi-restraints excluded: chain 8 residue  193 ASP
Chi-restraints excluded: chain 9 residue   92 VAL
Chi-restraints excluded: chain 9 residue  105 GLU
Chi-restraints excluded: chain 9 residue  178 LEU
Chi-restraints excluded: chain 9 residue  190 THR
Chi-restraints excluded: chain 9 residue  192 GLU
Chi-restraints excluded: chain 9 residue  193 ASP
Chi-restraints excluded: chain 9 residue  218 GLU
Chi-restraints excluded: chain 9 residue  224 GLU
Chi-restraints excluded: chain a residue  192 GLU
Chi-restraints excluded: chain b residue  112 LYS
Chi-restraints excluded: chain b residue  178 LEU
Chi-restraints excluded: chain b residue  228 GLN
Chi-restraints excluded: chain c residue   92 VAL
Chi-restraints excluded: chain c residue  105 GLU
Chi-restraints excluded: chain c residue  193 ASP
Chi-restraints excluded: chain c residue  221 SER
Chi-restraints excluded: chain f residue   92 VAL
Chi-restraints excluded: chain h residue  112 LYS
Chi-restraints excluded: chain h residue  178 LEU
Chi-restraints excluded: chain h residue  193 ASP
Chi-restraints excluded: chain h residue  228 GLN
Chi-restraints excluded: chain i residue  192 GLU
Chi-restraints excluded: chain j residue  159 THR
Chi-restraints excluded: chain j residue  192 GLU
Chi-restraints excluded: chain k residue  112 LYS
Chi-restraints excluded: chain k residue  178 LEU
Chi-restraints excluded: chain k residue  228 GLN
Chi-restraints excluded: chain l residue  112 LYS
Chi-restraints excluded: chain l residue  178 LEU
Chi-restraints excluded: chain l residue  228 GLN
Chi-restraints excluded: chain m residue  192 GLU
Chi-restraints excluded: chain o residue   92 VAL
Chi-restraints excluded: chain o residue  105 GLU
Chi-restraints excluded: chain o residue  112 LYS
Chi-restraints excluded: chain o residue  193 ASP
Chi-restraints excluded: chain o residue  204 LYS
Chi-restraints excluded: chain p residue   92 VAL
Chi-restraints excluded: chain p residue  105 GLU
Chi-restraints excluded: chain p residue  178 LEU
Chi-restraints excluded: chain p residue  190 THR
Chi-restraints excluded: chain p residue  192 GLU
Chi-restraints excluded: chain p residue  193 ASP
Chi-restraints excluded: chain p residue  224 GLU
Chi-restraints excluded: chain q residue   92 VAL
Chi-restraints excluded: chain q residue  105 GLU
Chi-restraints excluded: chain q residue  193 ASP
Chi-restraints excluded: chain q residue  221 SER
Chi-restraints excluded: chain r residue   92 VAL
Chi-restraints excluded: chain r residue  105 GLU
Chi-restraints excluded: chain r residue  178 LEU
Chi-restraints excluded: chain r residue  190 THR
Chi-restraints excluded: chain r residue  192 GLU
Chi-restraints excluded: chain r residue  193 ASP
Chi-restraints excluded: chain r residue  224 GLU
Chi-restraints excluded: chain s residue   92 VAL
Chi-restraints excluded: chain u residue  112 LYS
Chi-restraints excluded: chain u residue  178 LEU
Chi-restraints excluded: chain u residue  228 GLN
Chi-restraints excluded: chain v residue  192 GLU
Chi-restraints excluded: chain w residue   92 VAL
Chi-restraints excluded: chain w residue  105 GLU
Chi-restraints excluded: chain w residue  112 LYS
Chi-restraints excluded: chain w residue  193 ASP
Chi-restraints excluded: chain w residue  204 LYS
Chi-restraints excluded: chain x residue   92 VAL
Chi-restraints excluded: chain x residue  105 GLU
Chi-restraints excluded: chain x residue  171 SER
Chi-restraints excluded: chain x residue  178 LEU
Chi-restraints excluded: chain x residue  190 THR
Chi-restraints excluded: chain x residue  192 GLU
Chi-restraints excluded: chain x residue  193 ASP
Chi-restraints excluded: chain x residue  224 GLU
Rotamers are restrained with sigma=1.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 900
   random chunks:
   chunk 618 optimal weight:    0.9980
   chunk 672 optimal weight:    0.3980
   chunk 80 optimal weight:    3.9990
   chunk 630 optimal weight:    8.9990
   chunk 95 optimal weight:    0.6980
   chunk 136 optimal weight:    6.9990
   chunk 161 optimal weight:    2.9990
   chunk 686 optimal weight:    0.0670
   chunk 309 optimal weight:    9.9990
   chunk 889 optimal weight:   10.0000
   chunk 511 optimal weight:    4.9990
   overall best weight:    1.0320

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

Flipped N/Q/H residues before XYZ refinement:
E 196 GLN
H 196 GLN
L 196 GLN
N 196 GLN
R 196 GLN
V 196 GLN
6 196 GLN
8 196 GLN
c 196 GLN
o 196 GLN
q 196 GLN
w 196 GLN

Total number of N/Q/H flips: 12

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3271 r_free = 0.3271 target = 0.117479 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 41)----------------|
| r_work = 0.3003 r_free = 0.3003 target = 0.098107 restraints weight = 75598.198|
|-----------------------------------------------------------------------------|
r_work (start): 0.2989 rms_B_bonded: 1.49
r_work: 0.2850 rms_B_bonded: 2.11 restraints_weight: 0.5000
r_work: 0.2703 rms_B_bonded: 3.49 restraints_weight: 0.2500
r_work (final): 0.2703
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8548
moved from start:          0.2753

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.002   0.022  70560  Z= 0.157
  Angle     :  0.416   6.543  95640  Z= 0.226
  Chirality :  0.046   0.133  11220
  Planarity :  0.003   0.035  12480
  Dihedral  :  4.666  83.928  10116
  Min Nonbonded Distance : 2.585

Molprobity Statistics.
  All-atom Clashscore : 5.49
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  1.38 %
    Favored  : 98.62 %
  Rotamer:
    Outliers :  2.10 %
    Allowed  : 16.23 %
    Favored  : 81.67 %
  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:  1.04 (0.09), residues: 9300
  helix:  1.86 (0.08), residues: 4500
  sheet: -1.85 (0.10), residues: 2280
  loop :  1.42 (0.13), residues: 2520

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.006   0.001   TRP l 125 
 HIS   0.002   0.001   HIS o 146 
 PHE   0.007   0.001   PHE R  95 
 TYR   0.007   0.001   TYR v 114 
 ARG   0.005   0.000   ARG 9  94 

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

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

  18600 Ramachandran restraints generated.
    9300 Oldfield, 0 Emsley, 9300 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Re-set Ramachandran plot restraints
***********************************
  favored: oldfield
  allowed: oldfield
  outlier: oldfield

  18600 Ramachandran restraints generated.
    9300 Oldfield, 0 Emsley, 9300 emsley8k and 0 Phi/Psi/2.
-------------------------------------------------------------------------------
Optimize residue side-chains
****************************
Evaluate side-chains
  1900 residues out of total 7140 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 150
    poor density    : 1750
  time to evaluate  : 7.120 
Fit side-chains
REVERT: B   74 ARG cc_start: 0.8805 (ttm170) cc_final: 0.8557 (ttm170)
REVERT: B  112 LYS cc_start: 0.8743 (OUTLIER) cc_final: 0.8277 (tptp)
REVERT: B  211 GLU cc_start: 0.8476 (mt-10) cc_final: 0.8132 (mt-10)
REVERT: B  218 GLU cc_start: 0.8685 (tt0) cc_final: 0.8466 (tt0)
REVERT: B  228 GLN cc_start: 0.6202 (OUTLIER) cc_final: 0.5786 (mt0)
REVERT: C  105 GLU cc_start: 0.8618 (mm-30) cc_final: 0.8372 (mm-30)
REVERT: C  144 LYS cc_start: 0.8845 (mtmm) cc_final: 0.8446 (mtmm)
REVERT: C  194 MET cc_start: 0.8330 (tpt) cc_final: 0.8035 (tpt)
REVERT: C  195 ASP cc_start: 0.7365 (t70) cc_final: 0.7055 (t70)
REVERT: D  105 GLU cc_start: 0.8641 (mm-30) cc_final: 0.8393 (mm-30)
REVERT: D  144 LYS cc_start: 0.8838 (mtmm) cc_final: 0.8437 (mtmm)
REVERT: D  192 GLU cc_start: 0.8818 (mp0) cc_final: 0.8491 (mm-30)
REVERT: D  194 MET cc_start: 0.8351 (tpt) cc_final: 0.8059 (tpt)
REVERT: D  195 ASP cc_start: 0.7360 (t70) cc_final: 0.7075 (t70)
REVERT: E  105 GLU cc_start: 0.8396 (OUTLIER) cc_final: 0.7883 (mp0)
REVERT: E  131 GLU cc_start: 0.8600 (mp0) cc_final: 0.8180 (mm-30)
REVERT: E  167 ASN cc_start: 0.8538 (m110) cc_final: 0.8128 (m110)
REVERT: E  175 SER cc_start: 0.8855 (m) cc_final: 0.8641 (t)
REVERT: E  204 LYS cc_start: 0.8613 (OUTLIER) cc_final: 0.8118 (mmpt)
REVERT: E  211 GLU cc_start: 0.8575 (mt-10) cc_final: 0.8287 (mt-10)
REVERT: F  105 GLU cc_start: 0.8354 (OUTLIER) cc_final: 0.8118 (mp0)
REVERT: F  131 GLU cc_start: 0.8542 (mp0) cc_final: 0.8266 (mp0)
REVERT: F  196 GLN cc_start: 0.8571 (mt0) cc_final: 0.8296 (mt0)
REVERT: G   74 ARG cc_start: 0.8810 (ttm170) cc_final: 0.8563 (ttm170)
REVERT: G  112 LYS cc_start: 0.8732 (OUTLIER) cc_final: 0.8279 (tptp)
REVERT: G  211 GLU cc_start: 0.8484 (mt-10) cc_final: 0.8150 (mt-10)
REVERT: G  218 GLU cc_start: 0.8693 (tt0) cc_final: 0.8466 (tt0)
REVERT: G  228 GLN cc_start: 0.6194 (OUTLIER) cc_final: 0.5777 (mt0)
REVERT: H  105 GLU cc_start: 0.8409 (OUTLIER) cc_final: 0.7944 (mp0)
REVERT: H  131 GLU cc_start: 0.8603 (mp0) cc_final: 0.8187 (mm-30)
REVERT: H  167 ASN cc_start: 0.8503 (m-40) cc_final: 0.8121 (m110)
REVERT: H  175 SER cc_start: 0.8834 (m) cc_final: 0.8622 (t)
REVERT: H  204 LYS cc_start: 0.8604 (OUTLIER) cc_final: 0.8106 (mmpt)
REVERT: H  211 GLU cc_start: 0.8595 (mt-10) cc_final: 0.8311 (mt-10)
REVERT: I   74 ARG cc_start: 0.8821 (ttm170) cc_final: 0.8571 (ttm170)
REVERT: I  112 LYS cc_start: 0.8726 (OUTLIER) cc_final: 0.8271 (tptp)
REVERT: I  211 GLU cc_start: 0.8464 (mt-10) cc_final: 0.8157 (mt-10)
REVERT: I  228 GLN cc_start: 0.6160 (OUTLIER) cc_final: 0.5750 (mt0)
REVERT: J  105 GLU cc_start: 0.8615 (mm-30) cc_final: 0.8370 (mm-30)
REVERT: J  144 LYS cc_start: 0.8844 (mtmm) cc_final: 0.8447 (mtmm)
REVERT: J  192 GLU cc_start: 0.8809 (mp0) cc_final: 0.8521 (mm-30)
REVERT: J  194 MET cc_start: 0.8318 (tpt) cc_final: 0.8017 (tpt)
REVERT: J  195 ASP cc_start: 0.7357 (t70) cc_final: 0.7062 (t70)
REVERT: K  105 GLU cc_start: 0.8344 (OUTLIER) cc_final: 0.8105 (mp0)
REVERT: K  131 GLU cc_start: 0.8545 (mp0) cc_final: 0.8263 (mp0)
REVERT: K  196 GLN cc_start: 0.8570 (mt0) cc_final: 0.8292 (mt0)
REVERT: L  105 GLU cc_start: 0.8394 (OUTLIER) cc_final: 0.7886 (mp0)
REVERT: L  131 GLU cc_start: 0.8602 (mp0) cc_final: 0.8182 (mm-30)
REVERT: L  167 ASN cc_start: 0.8549 (m110) cc_final: 0.8129 (m110)
REVERT: L  175 SER cc_start: 0.8841 (m) cc_final: 0.8631 (t)
REVERT: L  211 GLU cc_start: 0.8586 (mt-10) cc_final: 0.8299 (mt-10)
REVERT: M  105 GLU cc_start: 0.8375 (OUTLIER) cc_final: 0.8138 (mp0)
REVERT: M  131 GLU cc_start: 0.8415 (mp0) cc_final: 0.8053 (mp0)
REVERT: M  196 GLN cc_start: 0.8571 (mt0) cc_final: 0.8298 (mt0)
REVERT: N  105 GLU cc_start: 0.8401 (OUTLIER) cc_final: 0.7886 (mp0)
REVERT: N  131 GLU cc_start: 0.8608 (mp0) cc_final: 0.8192 (mm-30)
REVERT: N  167 ASN cc_start: 0.8528 (m-40) cc_final: 0.8161 (m110)
REVERT: N  175 SER cc_start: 0.8848 (m) cc_final: 0.8646 (t)
REVERT: N  211 GLU cc_start: 0.8596 (mt-10) cc_final: 0.8311 (mt-10)
REVERT: O  105 GLU cc_start: 0.8370 (OUTLIER) cc_final: 0.8133 (mp0)
REVERT: O  131 GLU cc_start: 0.8549 (mp0) cc_final: 0.8275 (mp0)
REVERT: O  196 GLN cc_start: 0.8567 (mt0) cc_final: 0.8281 (mt0)
REVERT: P   74 ARG cc_start: 0.8789 (ttm170) cc_final: 0.8535 (ttm170)
REVERT: P  112 LYS cc_start: 0.8736 (OUTLIER) cc_final: 0.8276 (tptp)
REVERT: P  211 GLU cc_start: 0.8456 (mt-10) cc_final: 0.8105 (mt-10)
REVERT: P  218 GLU cc_start: 0.8666 (tt0) cc_final: 0.8420 (tt0)
REVERT: P  228 GLN cc_start: 0.6186 (OUTLIER) cc_final: 0.5773 (mt0)
REVERT: Q  105 GLU cc_start: 0.8396 (OUTLIER) cc_final: 0.8162 (mp0)
REVERT: Q  131 GLU cc_start: 0.8555 (mp0) cc_final: 0.8282 (mp0)
REVERT: Q  196 GLN cc_start: 0.8567 (mt0) cc_final: 0.8289 (mt0)
REVERT: R  105 GLU cc_start: 0.8382 (OUTLIER) cc_final: 0.7910 (mp0)
REVERT: R  131 GLU cc_start: 0.8609 (mp0) cc_final: 0.8194 (mm-30)
REVERT: R  167 ASN cc_start: 0.8499 (m-40) cc_final: 0.8135 (m110)
REVERT: R  175 SER cc_start: 0.8839 (m) cc_final: 0.8624 (t)
REVERT: R  204 LYS cc_start: 0.8612 (OUTLIER) cc_final: 0.8122 (mmpt)
REVERT: R  211 GLU cc_start: 0.8571 (mt-10) cc_final: 0.8269 (mt-10)
REVERT: S  105 GLU cc_start: 0.8627 (mm-30) cc_final: 0.8379 (mm-30)
REVERT: S  144 LYS cc_start: 0.8846 (mtmm) cc_final: 0.8449 (mtmm)
REVERT: S  192 GLU cc_start: 0.8832 (mp0) cc_final: 0.8508 (mm-30)
REVERT: S  194 MET cc_start: 0.8356 (tpt) cc_final: 0.8069 (tpt)
REVERT: S  195 ASP cc_start: 0.7356 (t70) cc_final: 0.7061 (t70)
REVERT: T  105 GLU cc_start: 0.8622 (mm-30) cc_final: 0.8377 (mm-30)
REVERT: T  144 LYS cc_start: 0.8853 (mtmm) cc_final: 0.8458 (mtmm)
REVERT: T  194 MET cc_start: 0.8343 (tpt) cc_final: 0.8053 (tpt)
REVERT: T  195 ASP cc_start: 0.7524 (t70) cc_final: 0.7232 (t70)
REVERT: U  105 GLU cc_start: 0.8340 (OUTLIER) cc_final: 0.8103 (mp0)
REVERT: U  131 GLU cc_start: 0.8548 (mp0) cc_final: 0.8267 (mp0)
REVERT: U  196 GLN cc_start: 0.8570 (mt0) cc_final: 0.8290 (mt0)
REVERT: V  105 GLU cc_start: 0.8392 (OUTLIER) cc_final: 0.7915 (mp0)
REVERT: V  131 GLU cc_start: 0.8618 (mp0) cc_final: 0.8204 (mm-30)
REVERT: V  167 ASN cc_start: 0.8508 (m-40) cc_final: 0.8143 (m110)
REVERT: V  175 SER cc_start: 0.8844 (m) cc_final: 0.8632 (t)
REVERT: V  204 LYS cc_start: 0.8606 (OUTLIER) cc_final: 0.8112 (mmpt)
REVERT: V  211 GLU cc_start: 0.8581 (mt-10) cc_final: 0.8294 (mt-10)
REVERT: W   74 ARG cc_start: 0.8792 (ttm170) cc_final: 0.8532 (ttm170)
REVERT: W  112 LYS cc_start: 0.8717 (OUTLIER) cc_final: 0.8252 (tptp)
REVERT: W  211 GLU cc_start: 0.8468 (mt-10) cc_final: 0.8124 (mt-10)
REVERT: W  218 GLU cc_start: 0.8667 (tt0) cc_final: 0.8420 (tt0)
REVERT: W  228 GLN cc_start: 0.6180 (OUTLIER) cc_final: 0.5770 (mt0)
REVERT: X   74 ARG cc_start: 0.8799 (ttm170) cc_final: 0.8549 (ttm170)
REVERT: X  112 LYS cc_start: 0.8755 (OUTLIER) cc_final: 0.8304 (tptp)
REVERT: X  211 GLU cc_start: 0.8489 (mt-10) cc_final: 0.8151 (mt-10)
REVERT: X  218 GLU cc_start: 0.8674 (tt0) cc_final: 0.8434 (tt0)
REVERT: X  228 GLN cc_start: 0.6199 (OUTLIER) cc_final: 0.5790 (mt0)
REVERT: Y  105 GLU cc_start: 0.8631 (mm-30) cc_final: 0.8386 (mm-30)
REVERT: Y  144 LYS cc_start: 0.8846 (mtmm) cc_final: 0.8452 (mtmm)
REVERT: Y  192 GLU cc_start: 0.8800 (mp0) cc_final: 0.8510 (mm-30)
REVERT: Y  194 MET cc_start: 0.8334 (tpt) cc_final: 0.8053 (tpt)
REVERT: 0   94 ARG cc_start: 0.8818 (mtm110) cc_final: 0.8294 (mtm110)
REVERT: 3  105 GLU cc_start: 0.8376 (OUTLIER) cc_final: 0.8142 (mp0)
REVERT: 3  131 GLU cc_start: 0.8477 (mp0) cc_final: 0.8123 (mp0)
REVERT: 3  196 GLN cc_start: 0.8583 (mt0) cc_final: 0.8296 (mt0)
REVERT: 4   74 ARG cc_start: 0.8802 (ttm170) cc_final: 0.8554 (ttm170)
REVERT: 4  112 LYS cc_start: 0.8729 (OUTLIER) cc_final: 0.8277 (tptp)
REVERT: 4  211 GLU cc_start: 0.8464 (mt-10) cc_final: 0.8165 (mt-10)
REVERT: 4  228 GLN cc_start: 0.6163 (OUTLIER) cc_final: 0.5750 (mt0)
REVERT: 5  105 GLU cc_start: 0.8611 (mm-30) cc_final: 0.8365 (mm-30)
REVERT: 5  144 LYS cc_start: 0.8850 (mtmm) cc_final: 0.8451 (mtmm)
REVERT: 5  192 GLU cc_start: 0.8794 (mp0) cc_final: 0.8482 (mm-30)
REVERT: 5  195 ASP cc_start: 0.7556 (t70) cc_final: 0.7345 (t70)
REVERT: 6  105 GLU cc_start: 0.8400 (OUTLIER) cc_final: 0.7932 (mp0)
REVERT: 6  131 GLU cc_start: 0.8607 (mp0) cc_final: 0.8201 (mm-30)
REVERT: 6  167 ASN cc_start: 0.8542 (m110) cc_final: 0.8134 (m110)
REVERT: 6  175 SER cc_start: 0.8839 (m) cc_final: 0.8631 (t)
REVERT: 6  204 LYS cc_start: 0.8621 (OUTLIER) cc_final: 0.8115 (mmpt)
REVERT: 6  211 GLU cc_start: 0.8581 (mt-10) cc_final: 0.8284 (mt-10)
REVERT: 7  105 GLU cc_start: 0.8384 (OUTLIER) cc_final: 0.8150 (mp0)
REVERT: 7  131 GLU cc_start: 0.8408 (mp0) cc_final: 0.8052 (mp0)
REVERT: 7  196 GLN cc_start: 0.8579 (mt0) cc_final: 0.8294 (mt0)
REVERT: 8  105 GLU cc_start: 0.8411 (OUTLIER) cc_final: 0.7904 (mp0)
REVERT: 8  131 GLU cc_start: 0.8608 (mp0) cc_final: 0.8193 (mm-30)
REVERT: 8  167 ASN cc_start: 0.8502 (m-40) cc_final: 0.8141 (m110)
REVERT: 8  175 SER cc_start: 0.8846 (m) cc_final: 0.8632 (t)
REVERT: 8  211 GLU cc_start: 0.8572 (mt-10) cc_final: 0.8281 (mt-10)
REVERT: 9  105 GLU cc_start: 0.8351 (OUTLIER) cc_final: 0.8113 (mp0)
REVERT: 9  131 GLU cc_start: 0.8474 (mp0) cc_final: 0.8109 (mp0)
REVERT: 9  196 GLN cc_start: 0.8574 (mt0) cc_final: 0.8295 (mt0)
REVERT: a  105 GLU cc_start: 0.8623 (mm-30) cc_final: 0.8378 (mm-30)
REVERT: a  144 LYS cc_start: 0.8852 (mtmm) cc_final: 0.8452 (mtmm)
REVERT: a  192 GLU cc_start: 0.8825 (mp0) cc_final: 0.8526 (mm-30)
REVERT: a  195 ASP cc_start: 0.7510 (t70) cc_final: 0.7231 (t70)
REVERT: b   74 ARG cc_start: 0.8819 (ttm170) cc_final: 0.8564 (ttm170)
REVERT: b  112 LYS cc_start: 0.8736 (OUTLIER) cc_final: 0.8273 (tptp)
REVERT: b  211 GLU cc_start: 0.8418 (mt-10) cc_final: 0.8109 (mt-10)
REVERT: b  228 GLN cc_start: 0.6151 (OUTLIER) cc_final: 0.5740 (mt0)
REVERT: c  105 GLU cc_start: 0.8406 (OUTLIER) cc_final: 0.7940 (mp0)
REVERT: c  131 GLU cc_start: 0.8607 (mp0) cc_final: 0.8203 (mm-30)
REVERT: c  167 ASN cc_start: 0.8549 (m110) cc_final: 0.8136 (m110)
REVERT: c  175 SER cc_start: 0.8856 (m) cc_final: 0.8644 (t)
REVERT: c  211 GLU cc_start: 0.8551 (mt-10) cc_final: 0.8267 (mt-10)
REVERT: h   74 ARG cc_start: 0.8803 (ttm170) cc_final: 0.8551 (ttm170)
REVERT: h  112 LYS cc_start: 0.8726 (OUTLIER) cc_final: 0.8267 (tptp)
REVERT: h  211 GLU cc_start: 0.8481 (mt-10) cc_final: 0.8184 (mt-10)
REVERT: h  228 GLN cc_start: 0.6167 (OUTLIER) cc_final: 0.5758 (mt0)
REVERT: i  105 GLU cc_start: 0.8626 (mm-30) cc_final: 0.8379 (mm-30)
REVERT: i  144 LYS cc_start: 0.8856 (mtmm) cc_final: 0.8456 (mtmm)
REVERT: i  192 GLU cc_start: 0.8833 (mp0) cc_final: 0.8514 (mm-30)
REVERT: i  194 MET cc_start: 0.8362 (tpt) cc_final: 0.8073 (tpt)
REVERT: i  195 ASP cc_start: 0.7390 (t70) cc_final: 0.7095 (t70)
REVERT: j  105 GLU cc_start: 0.8625 (mm-30) cc_final: 0.8379 (mm-30)
REVERT: j  144 LYS cc_start: 0.8856 (mtmm) cc_final: 0.8460 (mtmm)
REVERT: j  192 GLU cc_start: 0.8791 (mp0) cc_final: 0.8483 (mm-30)
REVERT: j  195 ASP cc_start: 0.7529 (t70) cc_final: 0.7253 (t70)
REVERT: k   74 ARG cc_start: 0.8813 (ttm170) cc_final: 0.8570 (ttm170)
REVERT: k  112 LYS cc_start: 0.8753 (OUTLIER) cc_final: 0.8307 (tptp)
REVERT: k  211 GLU cc_start: 0.8468 (mt-10) cc_final: 0.8171 (mt-10)
REVERT: k  228 GLN cc_start: 0.6164 (OUTLIER) cc_final: 0.5747 (mt0)
REVERT: l   74 ARG cc_start: 0.8792 (ttm170) cc_final: 0.8535 (ttm170)
REVERT: l  112 LYS cc_start: 0.8746 (OUTLIER) cc_final: 0.8282 (tptp)
REVERT: l  211 GLU cc_start: 0.8447 (mt-10) cc_final: 0.8130 (mt-10)
REVERT: l  228 GLN cc_start: 0.6163 (OUTLIER) cc_final: 0.5753 (mt0)
REVERT: m  105 GLU cc_start: 0.8624 (mm-30) cc_final: 0.8373 (mm-30)
REVERT: m  144 LYS cc_start: 0.8857 (mtmm) cc_final: 0.8458 (mtmm)
REVERT: m  192 GLU cc_start: 0.8810 (mp0) cc_final: 0.8482 (mm-30)
REVERT: m  194 MET cc_start: 0.8332 (tpt) cc_final: 0.8037 (tpt)
REVERT: m  195 ASP cc_start: 0.7358 (t70) cc_final: 0.7066 (t70)
REVERT: o  105 GLU cc_start: 0.8405 (OUTLIER) cc_final: 0.7937 (mp0)
REVERT: o  131 GLU cc_start: 0.8598 (mp0) cc_final: 0.8191 (mm-30)
REVERT: o  167 ASN cc_start: 0.8498 (m-40) cc_final: 0.8135 (m110)
REVERT: o  175 SER cc_start: 0.8858 (m) cc_final: 0.8640 (t)
REVERT: o  211 GLU cc_start: 0.8566 (mt-10) cc_final: 0.8275 (mt-10)
REVERT: p  105 GLU cc_start: 0.8386 (OUTLIER) cc_final: 0.8150 (mp0)
REVERT: p  131 GLU cc_start: 0.8412 (mp0) cc_final: 0.8089 (mp0)
REVERT: p  196 GLN cc_start: 0.8579 (mt0) cc_final: 0.8301 (mt0)
REVERT: q  105 GLU cc_start: 0.8405 (OUTLIER) cc_final: 0.7933 (mp0)
REVERT: q  131 GLU cc_start: 0.8613 (mp0) cc_final: 0.8209 (mm-30)
REVERT: q  167 ASN cc_start: 0.8526 (m-40) cc_final: 0.8146 (m110)
REVERT: q  175 SER cc_start: 0.8849 (m) cc_final: 0.8640 (t)
REVERT: q  211 GLU cc_start: 0.8575 (mt-10) cc_final: 0.8282 (mt-10)
REVERT: r  105 GLU cc_start: 0.8358 (OUTLIER) cc_final: 0.8121 (mp0)
REVERT: r  131 GLU cc_start: 0.8516 (mp0) cc_final: 0.8154 (mp0)
REVERT: r  196 GLN cc_start: 0.8577 (mt0) cc_final: 0.8293 (mt0)
REVERT: t   94 ARG cc_start: 0.8828 (mtm110) cc_final: 0.8299 (mtm110)
REVERT: u   74 ARG cc_start: 0.8822 (ttm170) cc_final: 0.8569 (ttm170)
REVERT: u  112 LYS cc_start: 0.8715 (OUTLIER) cc_final: 0.8260 (tptp)
REVERT: u  211 GLU cc_start: 0.8483 (mt-10) cc_final: 0.8182 (mt-10)
REVERT: u  228 GLN cc_start: 0.6148 (OUTLIER) cc_final: 0.5738 (mt0)
REVERT: v  105 GLU cc_start: 0.8626 (mm-30) cc_final: 0.8377 (mm-30)
REVERT: v  144 LYS cc_start: 0.8863 (mtmm) cc_final: 0.8467 (mtmm)
REVERT: v  192 GLU cc_start: 0.8807 (mp0) cc_final: 0.8481 (mm-30)
REVERT: v  194 MET cc_start: 0.8344 (tpt) cc_final: 0.8048 (tpt)
REVERT: v  195 ASP cc_start: 0.7406 (t70) cc_final: 0.7091 (t70)
REVERT: w  105 GLU cc_start: 0.8403 (OUTLIER) cc_final: 0.7935 (mp0)
REVERT: w  131 GLU cc_start: 0.8614 (mp0) cc_final: 0.8205 (mm-30)
REVERT: w  167 ASN cc_start: 0.8547 (m110) cc_final: 0.8124 (m110)
REVERT: w  175 SER cc_start: 0.8843 (m) cc_final: 0.8626 (t)
REVERT: w  204 LYS cc_start: 0.8606 (OUTLIER) cc_final: 0.8110 (mmpt)
REVERT: w  211 GLU cc_start: 0.8580 (mt-10) cc_final: 0.8289 (mt-10)
REVERT: x  105 GLU cc_start: 0.8377 (OUTLIER) cc_final: 0.8142 (mp0)
REVERT: x  131 GLU cc_start: 0.8418 (mp0) cc_final: 0.8099 (mp0)
REVERT: x  196 GLN cc_start: 0.8585 (mt0) cc_final: 0.8304 (mt0)
  outliers start: 150
  outliers final: 88
  residues processed: 1812
  average time/residue: 1.8576
  time to fit residues: 4193.9757
Evaluate side-chains
  1833 residues out of total 7140 (non-[ALA,GLY,PRO]) need to be fit.
    rotamer outliers: 142
    poor density    : 1691
  time to evaluate  : 5.809 
-------------------------------------------------------------------------------
Set rotamer restraints
**********************
Chi-restraints excluded: chain A residue   92 VAL
Chi-restraints excluded: chain B residue  112 LYS
Chi-restraints excluded: chain B residue  178 LEU
Chi-restraints excluded: chain B residue  193 ASP
Chi-restraints excluded: chain B residue  228 GLN
Chi-restraints excluded: chain E residue  105 GLU
Chi-restraints excluded: chain E residue  193 ASP
Chi-restraints excluded: chain E residue  204 LYS
Chi-restraints excluded: chain E residue  221 SER
Chi-restraints excluded: chain F residue  105 GLU
Chi-restraints excluded: chain F residue  178 LEU
Chi-restraints excluded: chain F residue  193 ASP
Chi-restraints excluded: chain F residue  224 GLU
Chi-restraints excluded: chain G residue  112 LYS
Chi-restraints excluded: chain G residue  178 LEU
Chi-restraints excluded: chain G residue  228 GLN
Chi-restraints excluded: chain H residue  105 GLU
Chi-restraints excluded: chain H residue  193 ASP
Chi-restraints excluded: chain H residue  204 LYS
Chi-restraints excluded: chain H residue  221 SER
Chi-restraints excluded: chain I residue  112 LYS
Chi-restraints excluded: chain I residue  178 LEU
Chi-restraints excluded: chain I residue  228 GLN
Chi-restraints excluded: chain K residue  105 GLU
Chi-restraints excluded: chain K residue  178 LEU
Chi-restraints excluded: chain K residue  193 ASP
Chi-restraints excluded: chain K residue  224 GLU
Chi-restraints excluded: chain L residue  105 GLU
Chi-restraints excluded: chain L residue  193 ASP
Chi-restraints excluded: chain M residue   92 VAL
Chi-restraints excluded: chain M residue  105 GLU
Chi-restraints excluded: chain M residue  178 LEU
Chi-restraints excluded: chain M residue  190 THR
Chi-restraints excluded: chain M residue  193 ASP
Chi-restraints excluded: chain M residue  224 GLU
Chi-restraints excluded: chain N residue  105 GLU
Chi-restraints excluded: chain N residue  193 ASP
Chi-restraints excluded: chain N residue  221 SER
Chi-restraints excluded: chain O residue  105 GLU
Chi-restraints excluded: chain O residue  178 LEU
Chi-restraints excluded: chain O residue  190 THR
Chi-restraints excluded: chain O residue  193 ASP
Chi-restraints excluded: chain P residue  112 LYS
Chi-restraints excluded: chain P residue  178 LEU
Chi-restraints excluded: chain P residue  228 GLN
Chi-restraints excluded: chain Q residue  105 GLU
Chi-restraints excluded: chain Q residue  178 LEU
Chi-restraints excluded: chain Q residue  190 THR
Chi-restraints excluded: chain Q residue  193 ASP
Chi-restraints excluded: chain R residue  105 GLU
Chi-restraints excluded: chain R residue  193 ASP
Chi-restraints excluded: chain R residue  204 LYS
Chi-restraints excluded: chain S residue  159 THR
Chi-restraints excluded: chain U residue  105 GLU
Chi-restraints excluded: chain U residue  178 LEU
Chi-restraints excluded: chain U residue  193 ASP
Chi-restraints excluded: chain U residue  224 GLU
Chi-restraints excluded: chain V residue  105 GLU
Chi-restraints excluded: chain V residue  193 ASP
Chi-restraints excluded: chain V residue  204 LYS
Chi-restraints excluded: chain V residue  221 SER
Chi-restraints excluded: chain W residue  112 LYS
Chi-restraints excluded: chain W residue  178 LEU
Chi-restraints excluded: chain W residue  228 GLN
Chi-restraints excluded: chain X residue  112 LYS
Chi-restraints excluded: chain X residue  178 LEU
Chi-restraints excluded: chain X residue  228 GLN
Chi-restraints excluded: chain Z residue   92 VAL
Chi-restraints excluded: chain 1 residue   92 VAL
Chi-restraints excluded: chain 3 residue   92 VAL
Chi-restraints excluded: chain 3 residue  105 GLU
Chi-restraints excluded: chain 3 residue  171 SER
Chi-restraints excluded: chain 3 residue  178 LEU
Chi-restraints excluded: chain 3 residue  190 THR
Chi-restraints excluded: chain 3 residue  193 ASP
Chi-restraints excluded: chain 3 residue  224 GLU
Chi-restraints excluded: chain 4 residue  112 LYS
Chi-restraints excluded: chain 4 residue  178 LEU
Chi-restraints excluded: chain 4 residue  193 ASP
Chi-restraints excluded: chain 4 residue  228 GLN
Chi-restraints excluded: chain 6 residue  105 GLU
Chi-restraints excluded: chain 6 residue  193 ASP
Chi-restraints excluded: chain 6 residue  204 LYS
Chi-restraints excluded: chain 6 residue  221 SER
Chi-restraints excluded: chain 7 residue  105 GLU
Chi-restraints excluded: chain 7 residue  171 SER
Chi-restraints excluded: chain 7 residue  178 LEU
Chi-restraints excluded: chain 7 residue  193 ASP
Chi-restraints excluded: chain 7 residue  224 GLU
Chi-restraints excluded: chain 8 residue  105 GLU
Chi-restraints excluded: chain 9 residue   92 VAL
Chi-restraints excluded: chain 9 residue  105 GLU
Chi-restraints excluded: chain 9 residue  178 LEU
Chi-restraints excluded: chain 9 residue  193 ASP
Chi-restraints excluded: chain 9 residue  224 GLU
Chi-restraints excluded: chain b residue  112 LYS
Chi-restraints excluded: chain b residue  178 LEU
Chi-restraints excluded: chain b residue  228 GLN
Chi-restraints excluded: chain c residue  105 GLU
Chi-restraints excluded: chain c residue  193 ASP
Chi-restraints excluded: chain c residue  221 SER
Chi-restraints excluded: chain f residue   92 VAL
Chi-restraints excluded: chain h residue  112 LYS
Chi-restraints excluded: chain h residue  178 LEU
Chi-restraints excluded: chain h residue  193 ASP
Chi-restraints excluded: chain h residue  228 GLN
Chi-restraints excluded: chain j residue  159 THR
Chi-restraints excluded: chain k residue  112 LYS
Chi-restraints excluded: chain k residue  178 LEU
Chi-restraints excluded: chain k residue  228 GLN
Chi-restraints excluded: chain l residue  112 LYS
Chi-restraints excluded: chain l residue  178 LEU
Chi-restraints excluded: chain l residue  228 GLN
Chi-restraints excluded: chain o residue  105 GLU
Chi-restraints excluded: chain o residue  193 ASP
Chi-restraints excluded: chain p residue  105 GLU
Chi-restraints excluded: chain p residue  178 LEU
Chi-restraints excluded: chain p residue  190 THR
Chi-restraints excluded: chain p residue  193 ASP
Chi-restraints excluded: chain p residue  224 GLU
Chi-restraints excluded: chain q residue  105 GLU
Chi-restraints excluded: chain q residue  193 ASP
Chi-restraints excluded: chain q residue  221 SER
Chi-restraints excluded: chain r residue  105 GLU
Chi-restraints excluded: chain r residue  178 LEU
Chi-restraints excluded: chain r residue  190 THR
Chi-restraints excluded: chain r residue  193 ASP
Chi-restraints excluded: chain r residue  224 GLU
Chi-restraints excluded: chain s residue   92 VAL
Chi-restraints excluded: chain u residue  112 LYS
Chi-restraints excluded: chain u residue  178 LEU
Chi-restraints excluded: chain u residue  228 GLN
Chi-restraints excluded: chain w residue  105 GLU
Chi-restraints excluded: chain w residue  193 ASP
Chi-restraints excluded: chain w residue  204 LYS
Chi-restraints excluded: chain x residue   92 VAL
Chi-restraints excluded: chain x residue  105 GLU
Chi-restraints excluded: chain x residue  171 SER
Chi-restraints excluded: chain x residue  178 LEU
Chi-restraints excluded: chain x residue  190 THR
Chi-restraints excluded: chain x residue  193 ASP
Chi-restraints excluded: chain x residue  224 GLU
Rotamers are restrained with sigma=1.00
-------------------------------------------------------------------------------
XYZ refinement
**************
Weight determination summary:
   number of chunks: 900
   random chunks:
   chunk 381 optimal weight:    0.7980
   chunk 218 optimal weight:    0.0980
   chunk 342 optimal weight:    0.7980
   chunk 230 optimal weight:    7.9990
   chunk 616 optimal weight:    2.9990
   chunk 84 optimal weight:    3.9990
   chunk 883 optimal weight:    7.9990
   chunk 746 optimal weight:    0.9990
   chunk 325 optimal weight:    4.9990
   chunk 784 optimal weight:    1.9990
   chunk 610 optimal weight:    0.7980
   overall best weight:    0.6982

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

Flipped N/Q/H residues before XYZ refinement:
A  84 GLN
E 196 GLN
H 196 GLN
L 196 GLN
N 196 GLN
Z  84 GLN
0  84 GLN
1  84 GLN
6 196 GLN
8 196 GLN
n  84 GLN
s  84 GLN
t  84 GLN

Total number of N/Q/H flips: 13

-------------------------------------------------------------------------------
ADP refinement
**************
|-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------|
| r_work = 0.3295 r_free = 0.3295 target = 0.119251 restraints weight = None  |
|-----------------------------------------------------------------------------|
|-group b-factor refinement (macro cycle = 1; iterations = 32)----------------|
| r_work = 0.3029 r_free = 0.3029 target = 0.099860 restraints weight = 75778.086|
|-----------------------------------------------------------------------------|
r_work (start): 0.3019 rms_B_bonded: 1.50
r_work: 0.2880 rms_B_bonded: 2.13 restraints_weight: 0.5000
r_work: 0.2733 rms_B_bonded: 3.54 restraints_weight: 0.2500
r_work (final): 0.2733
-------------------------------------------------------------------------------
Occupancy refinement
********************
-------------------------------------------------------------------------------
Overall statistics
******************
model-to-map fit, CC_mask: 0.8521
moved from start:          0.2778

Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2
Deviations from Ideal Values - rmsd, rmsZ for bonds and angles.
  Bond      :  0.002   0.020  70560  Z= 0.130
  Angle     :  0.399   6.974  95640  Z= 0.217
  Chirality :  0.046   0.136  11220
  Planarity :  0.003   0.034  12480
  Dihedral  :  4.418  79.531  10116
  Min Nonbonded Distance : 2.590

Molprobity Statistics.
  All-atom Clashscore : 5.66
  Ramachandran Plot:
    Outliers :  0.00 %
    Allowed  :  1.29 %
    Favored  : 98.71 %
  Rotamer:
    Outliers :  2.25 %
    Allowed  : 15.88 %
    Favored  : 81.86 %
  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:  1.23 (0.09), residues: 9300
  helix:  2.17 (0.08), residues: 4440
  sheet: -1.76 (0.10), residues: 2280
  loop :  1.22 (0.13), residues: 2580

Max deviation from planes:
   Type  MaxDev  MeanDev LineInFile
 TRP   0.007   0.001   TRP d 125 
 HIS   0.002   0.000   HIS c 146 
 PHE   0.005   0.001   PHE r  95 
 TYR   0.007   0.001   TYR 0 114 
 ARG   0.003   0.000   ARG 3  94 
Origin is already at (0, 0, 0), no shifts will be applied

===============================================================================
Job complete
usr+sys time: 64748.89 seconds
wall clock time: 1104 minutes 21.49 seconds (66261.49 seconds total)