Starting phenix.real_space_refine (version: 1.21rc1) on Fri Apr 21 16:20:25 2023 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6u5k_20648/04_2023/6u5k_20648.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6u5k_20648/04_2023/6u5k_20648.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.5 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6u5k_20648/04_2023/6u5k_20648.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6u5k_20648/04_2023/6u5k_20648.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6u5k_20648/04_2023/6u5k_20648.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6u5k_20648/04_2023/6u5k_20648.pdb" } resolution = 3.5 write_initial_geo_file = False refinement { macro_cycles = 10 } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.000 sd= 0.010 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 306 5.16 5 C 69270 2.51 5 N 19398 2.21 5 O 21132 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "M ARG 57": "NH1" <-> "NH2" Residue "M ARG 64": "NH1" <-> "NH2" Residue "M ARG 242": "NH1" <-> "NH2" Residue "M ARG 249": "NH1" <-> "NH2" Residue "B ARG 7": "NH1" <-> "NH2" Residue "A ARG 7": "NH1" <-> "NH2" Residue "F ARG 7": "NH1" <-> "NH2" Residue "E ARG 7": "NH1" <-> "NH2" Residue "D ARG 7": "NH1" <-> "NH2" Residue "C ARG 7": "NH1" <-> "NH2" Residue "N ARG 57": "NH1" <-> "NH2" Residue "N ARG 64": "NH1" <-> "NH2" Residue "N ARG 242": "NH1" <-> "NH2" Residue "N ARG 249": "NH1" <-> "NH2" Residue "R ARG 57": "NH1" <-> "NH2" Residue "R ARG 64": "NH1" <-> "NH2" Residue "R ARG 242": "NH1" <-> "NH2" Residue "R ARG 249": "NH1" <-> "NH2" Residue "Q ARG 57": "NH1" <-> "NH2" Residue "Q ARG 64": "NH1" <-> "NH2" Residue "Q ARG 242": "NH1" <-> "NH2" Residue "Q ARG 249": "NH1" <-> "NH2" Residue "P ARG 57": "NH1" <-> "NH2" Residue "P ARG 64": "NH1" <-> "NH2" Residue "P ARG 242": "NH1" <-> "NH2" Residue "P ARG 249": "NH1" <-> "NH2" Residue "O ARG 57": "NH1" <-> "NH2" Residue "O ARG 64": "NH1" <-> "NH2" Residue "O ARG 242": "NH1" <-> "NH2" Residue "O ARG 249": "NH1" <-> "NH2" Residue "S ARG 57": "NH1" <-> "NH2" Residue "S ARG 242": "NH1" <-> "NH2" Residue "S ARG 249": "NH1" <-> "NH2" Residue "T ARG 57": "NH1" <-> "NH2" Residue "T ARG 242": "NH1" <-> "NH2" Residue "T ARG 249": "NH1" <-> "NH2" Residue "X ARG 57": "NH1" <-> "NH2" Residue "X ARG 242": "NH1" <-> "NH2" Residue "X ARG 249": "NH1" <-> "NH2" Residue "W ARG 57": "NH1" <-> "NH2" Residue "W ARG 242": "NH1" <-> "NH2" Residue "W ARG 249": "NH1" <-> "NH2" Residue "V ARG 57": "NH1" <-> "NH2" Residue "V ARG 242": "NH1" <-> "NH2" Residue "V ARG 249": "NH1" <-> "NH2" Residue "U ARG 57": "NH1" <-> "NH2" Residue "U ARG 242": "NH1" <-> "NH2" Residue "U ARG 249": "NH1" <-> "NH2" Time to flip residues: 0.24s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-4938/modules/chem_data/mon_lib" Total number of atoms: 110106 Number of models: 1 Model: "" Number of chains: 54 Chain: "a" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "G" Number of atoms: 413 Number of conformers: 1 Conformer: "" Number of residues, atoms: 55, 413 Classifications: {'peptide': 55} Link IDs: {'PTRANS': 4, 'TRANS': 50} Chain: "M" Number of atoms: 2218 Number of conformers: 1 Conformer: "" Number of residues, atoms: 291, 2218 Classifications: {'peptide': 291} Link IDs: {'PTRANS': 16, 'TRANS': 274} Chain: "0" Number of atoms: 1202 Number of conformers: 1 Conformer: "" Number of residues, atoms: 151, 1202 Classifications: {'peptide': 151} Link IDs: {'PTRANS': 12, 'TRANS': 138} Chain: "B" Number of atoms: 759 Number of conformers: 1 Conformer: "" Number of residues, atoms: 99, 759 Classifications: {'peptide': 99} Link IDs: {'PTRANS': 5, 'TRANS': 93} Chain: "1" Number of atoms: 1202 Number of conformers: 1 Conformer: "" Number of residues, atoms: 151, 1202 Classifications: {'peptide': 151} Link IDs: {'PTRANS': 12, 'TRANS': 138} Chain: "5" Number of atoms: 1202 Number of conformers: 1 Conformer: "" Number of residues, atoms: 151, 1202 Classifications: {'peptide': 151} Link IDs: {'PTRANS': 12, 'TRANS': 138} Chain: "4" Number of atoms: 1202 Number of conformers: 1 Conformer: "" Number of residues, atoms: 151, 1202 Classifications: {'peptide': 151} Link IDs: {'PTRANS': 12, 'TRANS': 138} Chain: "3" Number of atoms: 1202 Number of conformers: 1 Conformer: "" Number of residues, atoms: 151, 1202 Classifications: {'peptide': 151} Link IDs: {'PTRANS': 12, 'TRANS': 138} Chain: "2" Number of atoms: 1202 Number of conformers: 1 Conformer: "" Number of residues, atoms: 151, 1202 Classifications: {'peptide': 151} Link IDs: {'PTRANS': 12, 'TRANS': 138} Chain: "b" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "f" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "e" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "d" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "c" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "A" Number of atoms: 759 Number of conformers: 1 Conformer: "" Number of residues, atoms: 99, 759 Classifications: {'peptide': 99} Link IDs: {'PTRANS': 5, 'TRANS': 93} Chain: "F" Number of atoms: 759 Number of conformers: 1 Conformer: "" Number of residues, atoms: 99, 759 Classifications: {'peptide': 99} Link IDs: {'PTRANS': 5, 'TRANS': 93} Chain: "E" Number of atoms: 759 Number of conformers: 1 Conformer: "" Number of residues, atoms: 99, 759 Classifications: {'peptide': 99} Link IDs: {'PTRANS': 5, 'TRANS': 93} Chain: "D" Number of atoms: 759 Number of conformers: 1 Conformer: "" Number of residues, atoms: 99, 759 Classifications: {'peptide': 99} Link IDs: {'PTRANS': 5, 'TRANS': 93} Chain: "C" Number of atoms: 759 Number of conformers: 1 Conformer: "" Number of residues, atoms: 99, 759 Classifications: {'peptide': 99} Link IDs: {'PTRANS': 5, 'TRANS': 93} Chain: "N" Number of atoms: 2218 Number of conformers: 1 Conformer: "" Number of residues, atoms: 291, 2218 Classifications: {'peptide': 291} Link IDs: {'PTRANS': 16, 'TRANS': 274} Chain: "R" Number of atoms: 2218 Number of conformers: 1 Conformer: "" Number of residues, atoms: 291, 2218 Classifications: {'peptide': 291} Link IDs: {'PTRANS': 16, 'TRANS': 274} Chain: "Q" Number of atoms: 2218 Number of conformers: 1 Conformer: "" Number of residues, atoms: 291, 2218 Classifications: {'peptide': 291} Link IDs: {'PTRANS': 16, 'TRANS': 274} Chain: "P" Number of atoms: 2218 Number of conformers: 1 Conformer: "" Number of residues, atoms: 291, 2218 Classifications: {'peptide': 291} Link IDs: {'PTRANS': 16, 'TRANS': 274} Chain: "O" Number of atoms: 2218 Number of conformers: 1 Conformer: "" Number of residues, atoms: 291, 2218 Classifications: {'peptide': 291} Link IDs: {'PTRANS': 16, 'TRANS': 274} Chain: "H" Number of atoms: 413 Number of conformers: 1 Conformer: "" Number of residues, atoms: 55, 413 Classifications: {'peptide': 55} Link IDs: {'PTRANS': 4, 'TRANS': 50} Chain: "L" Number of atoms: 413 Number of conformers: 1 Conformer: "" Number of residues, atoms: 55, 413 Classifications: {'peptide': 55} Link IDs: {'PTRANS': 4, 'TRANS': 50} Chain: "K" Number of atoms: 413 Number of conformers: 1 Conformer: "" Number of residues, atoms: 55, 413 Classifications: {'peptide': 55} Link IDs: {'PTRANS': 4, 'TRANS': 50} Chain: "J" Number of atoms: 413 Number of conformers: 1 Conformer: "" Number of residues, atoms: 55, 413 Classifications: {'peptide': 55} Link IDs: {'PTRANS': 4, 'TRANS': 50} Chain: "I" Number of atoms: 413 Number of conformers: 1 Conformer: "" Number of residues, atoms: 55, 413 Classifications: {'peptide': 55} Link IDs: {'PTRANS': 4, 'TRANS': 50} Chain: "g" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "S" Number of atoms: 2223 Number of conformers: 1 Conformer: "" Number of residues, atoms: 292, 2223 Classifications: {'peptide': 292} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 16, 'TRANS': 275} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 3 Chain: "h" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "l" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "k" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "j" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "i" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "T" Number of atoms: 2223 Number of conformers: 1 Conformer: "" Number of residues, atoms: 292, 2223 Classifications: {'peptide': 292} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 16, 'TRANS': 275} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 3 Chain: "X" Number of atoms: 2223 Number of conformers: 1 Conformer: "" Number of residues, atoms: 292, 2223 Classifications: {'peptide': 292} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 16, 'TRANS': 275} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 3 Chain: "W" Number of atoms: 2223 Number of conformers: 1 Conformer: "" Number of residues, atoms: 292, 2223 Classifications: {'peptide': 292} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 16, 'TRANS': 275} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 3 Chain: "V" Number of atoms: 2223 Number of conformers: 1 Conformer: "" Number of residues, atoms: 292, 2223 Classifications: {'peptide': 292} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 16, 'TRANS': 275} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 3 Chain: "U" Number of atoms: 2223 Number of conformers: 1 Conformer: "" Number of residues, atoms: 292, 2223 Classifications: {'peptide': 292} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 16, 'TRANS': 275} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 3 Unresolved non-hydrogen dihedrals: 3 Chain: "m" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "n" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "s" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "r" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "q" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "p" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "o" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "t" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "x" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "w" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "v" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Chain: "u" Number of atoms: 2884 Number of conformers: 1 Conformer: "" Number of residues, atoms: 383, 2884 Classifications: {'peptide': 383} Link IDs: {'PTRANS': 16, 'TRANS': 366} Time building chain proxies: 39.33, per 1000 atoms: 0.36 Number of scatterers: 110106 At special positions: 0 Unit cell: (334.161, 323.751, 182.175, 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 306 16.00 O 21132 8.00 N 19398 7.00 C 69270 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=0, symmetry=0 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 29.19 Conformation dependent library (CDL) restraints added in 12.0 seconds 28824 Ramachandran restraints generated. 14412 Oldfield, 0 Emsley, 14412 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 26940 Finding SS restraints... Secondary structure from input PDB file: 576 helices and 151 sheets defined 38.2% alpha, 10.3% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 4.67 Creating SS restraints... Processing helix chain 'a' and resid 51 through 60 Processing helix chain 'a' and resid 65 through 74 Processing helix chain 'a' and resid 90 through 100 removed outlier: 3.518A pdb=" N ALA a 95 " --> pdb=" O PRO a 91 " (cutoff:3.500A) Processing helix chain 'a' and resid 110 through 115 Processing helix chain 'a' and resid 116 through 122 Processing helix chain 'a' and resid 136 through 150 removed outlier: 3.605A pdb=" N GLY a 145 " --> pdb=" O THR a 141 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N GLU a 148 " --> pdb=" O ASP a 144 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LYS a 149 " --> pdb=" O GLY a 145 " (cutoff:3.500A) Processing helix chain 'a' and resid 162 through 171 Processing helix chain 'a' and resid 201 through 209 removed outlier: 3.501A pdb=" N LEU a 207 " --> pdb=" O TYR a 203 " (cutoff:3.500A) Processing helix chain 'a' and resid 210 through 215 Processing helix chain 'a' and resid 247 through 252 Processing helix chain 'a' and resid 280 through 298 removed outlier: 3.695A pdb=" N ASP a 292 " --> pdb=" O ASP a 288 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ILE a 294 " --> pdb=" O VAL a 290 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LEU a 295 " --> pdb=" O MET a 291 " (cutoff:3.500A) Processing helix chain 'a' and resid 307 through 327 removed outlier: 3.516A pdb=" N LYS a 312 " --> pdb=" O LYS a 308 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ASP a 313 " --> pdb=" O THR a 309 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLY a 317 " --> pdb=" O ASP a 313 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N PHE a 321 " --> pdb=" O GLY a 317 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N ASN a 327 " --> pdb=" O ARG a 323 " (cutoff:3.500A) Processing helix chain 'a' and resid 344 through 349 Processing helix chain 'a' and resid 376 through 382 removed outlier: 4.106A pdb=" N THR a 380 " --> pdb=" O GLN a 377 " (cutoff:3.500A) removed outlier: 4.153A pdb=" N VAL a 382 " --> pdb=" O LEU a 379 " (cutoff:3.500A) Processing helix chain 'G' and resid 12 through 22 removed outlier: 3.568A pdb=" N HIS G 19 " --> pdb=" O SER G 15 " (cutoff:3.500A) Processing helix chain 'G' and resid 28 through 34 Processing helix chain 'M' and resid 18 through 34 removed outlier: 3.522A pdb=" N ILE M 22 " --> pdb=" O ASP M 18 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ASP M 29 " --> pdb=" O GLU M 25 " (cutoff:3.500A) Processing helix chain 'M' and resid 44 through 58 removed outlier: 3.529A pdb=" N TYR M 56 " --> pdb=" O GLN M 52 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N GLU M 58 " --> pdb=" O ALA M 54 " (cutoff:3.500A) Processing helix chain 'M' and resid 58 through 71 removed outlier: 3.547A pdb=" N ALA M 63 " --> pdb=" O LEU M 59 " (cutoff:3.500A) removed outlier: 3.944A pdb=" N ALA M 71 " --> pdb=" O ASP M 67 " (cutoff:3.500A) Processing helix chain 'M' and resid 81 through 87 removed outlier: 3.599A pdb=" N ILE M 85 " --> pdb=" O ASP M 81 " (cutoff:3.500A) Processing helix chain 'M' and resid 88 through 90 No H-bonds generated for 'chain 'M' and resid 88 through 90' Processing helix chain 'M' and resid 116 through 123 Processing helix chain 'M' and resid 124 through 128 removed outlier: 3.718A pdb=" N LEU M 128 " --> pdb=" O PHE M 125 " (cutoff:3.500A) Processing helix chain 'M' and resid 135 through 142 removed outlier: 3.585A pdb=" N ALA M 141 " --> pdb=" O TYR M 137 " (cutoff:3.500A) Processing helix chain 'M' and resid 175 through 180 Processing helix chain 'M' and resid 180 through 186 removed outlier: 3.642A pdb=" N LEU M 184 " --> pdb=" O GLN M 180 " (cutoff:3.500A) Processing helix chain 'M' and resid 221 through 228 removed outlier: 3.901A pdb=" N ILE M 225 " --> pdb=" O GLU M 221 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N ARG M 226 " --> pdb=" O ALA M 222 " (cutoff:3.500A) Processing helix chain 'M' and resid 236 through 240 Processing helix chain 'M' and resid 250 through 255 removed outlier: 3.624A pdb=" N THR M 255 " --> pdb=" O ALA M 251 " (cutoff:3.500A) Processing helix chain '0' and resid 11 through 18 Processing helix chain '0' and resid 29 through 33 removed outlier: 3.782A pdb=" N HIS 0 33 " --> pdb=" O ARG 0 30 " (cutoff:3.500A) Processing helix chain '0' and resid 42 through 50 removed outlier: 3.990A pdb=" N LEU 0 46 " --> pdb=" O LEU 0 42 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N TRP 0 48 " --> pdb=" O PRO 0 44 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N THR 0 49 " --> pdb=" O TYR 0 45 " (cutoff:3.500A) Processing helix chain '0' and resid 60 through 70 removed outlier: 3.997A pdb=" N ASN 0 66 " --> pdb=" O GLU 0 62 " (cutoff:3.500A) removed outlier: 4.226A pdb=" N ALA 0 67 " --> pdb=" O ALA 0 63 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N VAL 0 68 " --> pdb=" O LYS 0 64 " (cutoff:3.500A) Processing helix chain '0' and resid 70 through 77 removed outlier: 3.582A pdb=" N HIS 0 75 " --> pdb=" O SER 0 71 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N ARG 0 77 " --> pdb=" O VAL 0 73 " (cutoff:3.500A) Processing helix chain '0' and resid 80 through 88 removed outlier: 3.788A pdb=" N LEU 0 84 " --> pdb=" O THR 0 80 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N VAL 0 88 " --> pdb=" O LEU 0 84 " (cutoff:3.500A) Processing helix chain '0' and resid 99 through 103 removed outlier: 3.785A pdb=" N GLN 0 102 " --> pdb=" O GLU 0 99 " (cutoff:3.500A) Processing helix chain '0' and resid 130 through 135 removed outlier: 3.710A pdb=" N LEU 0 135 " --> pdb=" O LEU 0 131 " (cutoff:3.500A) Processing helix chain 'B' and resid 14 through 26 removed outlier: 3.572A pdb=" N LEU B 18 " --> pdb=" O GLY B 14 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N VAL B 22 " --> pdb=" O LEU B 18 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ASP B 24 " --> pdb=" O GLN B 20 " (cutoff:3.500A) Processing helix chain 'B' and resid 41 through 45 removed outlier: 4.252A pdb=" N ARG B 44 " --> pdb=" O SER B 41 " (cutoff:3.500A) Processing helix chain 'B' and resid 52 through 71 removed outlier: 3.631A pdb=" N SER B 57 " --> pdb=" O GLU B 53 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N ALA B 61 " --> pdb=" O SER B 57 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N TRP B 70 " --> pdb=" O SER B 66 " (cutoff:3.500A) Processing helix chain '1' and resid 11 through 18 Processing helix chain '1' and resid 29 through 33 removed outlier: 3.781A pdb=" N HIS 1 33 " --> pdb=" O ARG 1 30 " (cutoff:3.500A) Processing helix chain '1' and resid 42 through 50 removed outlier: 3.990A pdb=" N LEU 1 46 " --> pdb=" O LEU 1 42 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N TRP 1 48 " --> pdb=" O PRO 1 44 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N THR 1 49 " --> pdb=" O TYR 1 45 " (cutoff:3.500A) Processing helix chain '1' and resid 60 through 70 removed outlier: 3.999A pdb=" N ASN 1 66 " --> pdb=" O GLU 1 62 " (cutoff:3.500A) removed outlier: 4.226A pdb=" N ALA 1 67 " --> pdb=" O ALA 1 63 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N VAL 1 68 " --> pdb=" O LYS 1 64 " (cutoff:3.500A) Processing helix chain '1' and resid 70 through 77 removed outlier: 3.582A pdb=" N HIS 1 75 " --> pdb=" O SER 1 71 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ARG 1 77 " --> pdb=" O VAL 1 73 " (cutoff:3.500A) Processing helix chain '1' and resid 80 through 88 removed outlier: 3.789A pdb=" N LEU 1 84 " --> pdb=" O THR 1 80 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N VAL 1 88 " --> pdb=" O LEU 1 84 " (cutoff:3.500A) Processing helix chain '1' and resid 99 through 103 removed outlier: 3.786A pdb=" N GLN 1 102 " --> pdb=" O GLU 1 99 " (cutoff:3.500A) Processing helix chain '1' and resid 130 through 135 removed outlier: 3.710A pdb=" N LEU 1 135 " --> pdb=" O LEU 1 131 " (cutoff:3.500A) Processing helix chain '5' and resid 11 through 18 Processing helix chain '5' and resid 29 through 33 removed outlier: 3.782A pdb=" N HIS 5 33 " --> pdb=" O ARG 5 30 " (cutoff:3.500A) Processing helix chain '5' and resid 42 through 50 removed outlier: 3.989A pdb=" N LEU 5 46 " --> pdb=" O LEU 5 42 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N TRP 5 48 " --> pdb=" O PRO 5 44 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N THR 5 49 " --> pdb=" O TYR 5 45 " (cutoff:3.500A) Processing helix chain '5' and resid 60 through 70 removed outlier: 3.998A pdb=" N ASN 5 66 " --> pdb=" O GLU 5 62 " (cutoff:3.500A) removed outlier: 4.226A pdb=" N ALA 5 67 " --> pdb=" O ALA 5 63 " (cutoff:3.500A) removed outlier: 3.660A pdb=" N VAL 5 68 " --> pdb=" O LYS 5 64 " (cutoff:3.500A) Processing helix chain '5' and resid 70 through 77 removed outlier: 3.581A pdb=" N HIS 5 75 " --> pdb=" O SER 5 71 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ARG 5 77 " --> pdb=" O VAL 5 73 " (cutoff:3.500A) Processing helix chain '5' and resid 80 through 88 removed outlier: 3.788A pdb=" N LEU 5 84 " --> pdb=" O THR 5 80 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N VAL 5 88 " --> pdb=" O LEU 5 84 " (cutoff:3.500A) Processing helix chain '5' and resid 99 through 103 removed outlier: 3.786A pdb=" N GLN 5 102 " --> pdb=" O GLU 5 99 " (cutoff:3.500A) Processing helix chain '5' and resid 130 through 135 removed outlier: 3.710A pdb=" N LEU 5 135 " --> pdb=" O LEU 5 131 " (cutoff:3.500A) Processing helix chain '4' and resid 11 through 18 Processing helix chain '4' and resid 29 through 33 removed outlier: 3.782A pdb=" N HIS 4 33 " --> pdb=" O ARG 4 30 " (cutoff:3.500A) Processing helix chain '4' and resid 42 through 50 removed outlier: 3.989A pdb=" N LEU 4 46 " --> pdb=" O LEU 4 42 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N TRP 4 48 " --> pdb=" O PRO 4 44 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N THR 4 49 " --> pdb=" O TYR 4 45 " (cutoff:3.500A) Processing helix chain '4' and resid 60 through 70 removed outlier: 3.997A pdb=" N ASN 4 66 " --> pdb=" O GLU 4 62 " (cutoff:3.500A) removed outlier: 4.225A pdb=" N ALA 4 67 " --> pdb=" O ALA 4 63 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N VAL 4 68 " --> pdb=" O LYS 4 64 " (cutoff:3.500A) Processing helix chain '4' and resid 70 through 77 removed outlier: 3.581A pdb=" N HIS 4 75 " --> pdb=" O SER 4 71 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ARG 4 77 " --> pdb=" O VAL 4 73 " (cutoff:3.500A) Processing helix chain '4' and resid 80 through 88 removed outlier: 3.789A pdb=" N LEU 4 84 " --> pdb=" O THR 4 80 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N VAL 4 88 " --> pdb=" O LEU 4 84 " (cutoff:3.500A) Processing helix chain '4' and resid 99 through 103 removed outlier: 3.785A pdb=" N GLN 4 102 " --> pdb=" O GLU 4 99 " (cutoff:3.500A) Processing helix chain '4' and resid 130 through 135 removed outlier: 3.710A pdb=" N LEU 4 135 " --> pdb=" O LEU 4 131 " (cutoff:3.500A) Processing helix chain '3' and resid 11 through 18 Processing helix chain '3' and resid 29 through 33 removed outlier: 3.782A pdb=" N HIS 3 33 " --> pdb=" O ARG 3 30 " (cutoff:3.500A) Processing helix chain '3' and resid 42 through 50 removed outlier: 3.991A pdb=" N LEU 3 46 " --> pdb=" O LEU 3 42 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N TRP 3 48 " --> pdb=" O PRO 3 44 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N THR 3 49 " --> pdb=" O TYR 3 45 " (cutoff:3.500A) Processing helix chain '3' and resid 60 through 70 removed outlier: 3.998A pdb=" N ASN 3 66 " --> pdb=" O GLU 3 62 " (cutoff:3.500A) removed outlier: 4.225A pdb=" N ALA 3 67 " --> pdb=" O ALA 3 63 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N VAL 3 68 " --> pdb=" O LYS 3 64 " (cutoff:3.500A) Processing helix chain '3' and resid 70 through 77 removed outlier: 3.582A pdb=" N HIS 3 75 " --> pdb=" O SER 3 71 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ARG 3 77 " --> pdb=" O VAL 3 73 " (cutoff:3.500A) Processing helix chain '3' and resid 80 through 88 removed outlier: 3.789A pdb=" N LEU 3 84 " --> pdb=" O THR 3 80 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N VAL 3 88 " --> pdb=" O LEU 3 84 " (cutoff:3.500A) Processing helix chain '3' and resid 99 through 103 removed outlier: 3.785A pdb=" N GLN 3 102 " --> pdb=" O GLU 3 99 " (cutoff:3.500A) Processing helix chain '3' and resid 130 through 135 removed outlier: 3.710A pdb=" N LEU 3 135 " --> pdb=" O LEU 3 131 " (cutoff:3.500A) Processing helix chain '2' and resid 11 through 18 Processing helix chain '2' and resid 29 through 33 removed outlier: 3.782A pdb=" N HIS 2 33 " --> pdb=" O ARG 2 30 " (cutoff:3.500A) Processing helix chain '2' and resid 42 through 50 removed outlier: 3.990A pdb=" N LEU 2 46 " --> pdb=" O LEU 2 42 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N TRP 2 48 " --> pdb=" O PRO 2 44 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N THR 2 49 " --> pdb=" O TYR 2 45 " (cutoff:3.500A) Processing helix chain '2' and resid 60 through 70 removed outlier: 3.998A pdb=" N ASN 2 66 " --> pdb=" O GLU 2 62 " (cutoff:3.500A) removed outlier: 4.227A pdb=" N ALA 2 67 " --> pdb=" O ALA 2 63 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N VAL 2 68 " --> pdb=" O LYS 2 64 " (cutoff:3.500A) Processing helix chain '2' and resid 70 through 77 removed outlier: 3.582A pdb=" N HIS 2 75 " --> pdb=" O SER 2 71 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ARG 2 77 " --> pdb=" O VAL 2 73 " (cutoff:3.500A) Processing helix chain '2' and resid 80 through 88 removed outlier: 3.788A pdb=" N LEU 2 84 " --> pdb=" O THR 2 80 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N VAL 2 88 " --> pdb=" O LEU 2 84 " (cutoff:3.500A) Processing helix chain '2' and resid 99 through 103 removed outlier: 3.785A pdb=" N GLN 2 102 " --> pdb=" O GLU 2 99 " (cutoff:3.500A) Processing helix chain '2' and resid 130 through 135 removed outlier: 3.709A pdb=" N LEU 2 135 " --> pdb=" O LEU 2 131 " (cutoff:3.500A) Processing helix chain 'b' and resid 51 through 60 Processing helix chain 'b' and resid 65 through 74 Processing helix chain 'b' and resid 90 through 100 removed outlier: 3.517A pdb=" N ALA b 95 " --> pdb=" O PRO b 91 " (cutoff:3.500A) Processing helix chain 'b' and resid 110 through 115 Processing helix chain 'b' and resid 116 through 122 Processing helix chain 'b' and resid 136 through 150 removed outlier: 3.606A pdb=" N GLY b 145 " --> pdb=" O THR b 141 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N GLU b 148 " --> pdb=" O ASP b 144 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N LYS b 149 " --> pdb=" O GLY b 145 " (cutoff:3.500A) Processing helix chain 'b' and resid 162 through 171 Processing helix chain 'b' and resid 201 through 209 removed outlier: 3.501A pdb=" N LEU b 207 " --> pdb=" O TYR b 203 " (cutoff:3.500A) Processing helix chain 'b' and resid 210 through 215 Processing helix chain 'b' and resid 247 through 252 Processing helix chain 'b' and resid 280 through 298 removed outlier: 3.695A pdb=" N ASP b 292 " --> pdb=" O ASP b 288 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N ILE b 294 " --> pdb=" O VAL b 290 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LEU b 295 " --> pdb=" O MET b 291 " (cutoff:3.500A) Processing helix chain 'b' and resid 307 through 327 removed outlier: 3.516A pdb=" N LYS b 312 " --> pdb=" O LYS b 308 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ASP b 313 " --> pdb=" O THR b 309 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N GLY b 317 " --> pdb=" O ASP b 313 " (cutoff:3.500A) removed outlier: 3.792A pdb=" N PHE b 321 " --> pdb=" O GLY b 317 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N ASN b 327 " --> pdb=" O ARG b 323 " (cutoff:3.500A) Processing helix chain 'b' and resid 344 through 349 Processing helix chain 'b' and resid 376 through 382 removed outlier: 4.106A pdb=" N THR b 380 " --> pdb=" O GLN b 377 " (cutoff:3.500A) removed outlier: 4.153A pdb=" N VAL b 382 " --> pdb=" O LEU b 379 " (cutoff:3.500A) Processing helix chain 'f' and resid 51 through 60 Processing helix chain 'f' and resid 65 through 74 Processing helix chain 'f' and resid 90 through 100 removed outlier: 3.517A pdb=" N ALA f 95 " --> pdb=" O PRO f 91 " (cutoff:3.500A) Processing helix chain 'f' and resid 110 through 115 Processing helix chain 'f' and resid 116 through 122 Processing helix chain 'f' and resid 136 through 150 removed outlier: 3.605A pdb=" N GLY f 145 " --> pdb=" O THR f 141 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N GLU f 148 " --> pdb=" O ASP f 144 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LYS f 149 " --> pdb=" O GLY f 145 " (cutoff:3.500A) Processing helix chain 'f' and resid 162 through 171 Processing helix chain 'f' and resid 201 through 209 removed outlier: 3.500A pdb=" N LEU f 207 " --> pdb=" O TYR f 203 " (cutoff:3.500A) Processing helix chain 'f' and resid 210 through 215 Processing helix chain 'f' and resid 247 through 252 Processing helix chain 'f' and resid 280 through 298 removed outlier: 3.696A pdb=" N ASP f 292 " --> pdb=" O ASP f 288 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ILE f 294 " --> pdb=" O VAL f 290 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LEU f 295 " --> pdb=" O MET f 291 " (cutoff:3.500A) Processing helix chain 'f' and resid 307 through 327 removed outlier: 3.517A pdb=" N LYS f 312 " --> pdb=" O LYS f 308 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ASP f 313 " --> pdb=" O THR f 309 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLY f 317 " --> pdb=" O ASP f 313 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N PHE f 321 " --> pdb=" O GLY f 317 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ASN f 327 " --> pdb=" O ARG f 323 " (cutoff:3.500A) Processing helix chain 'f' and resid 344 through 349 Processing helix chain 'f' and resid 376 through 382 removed outlier: 4.106A pdb=" N THR f 380 " --> pdb=" O GLN f 377 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N VAL f 382 " --> pdb=" O LEU f 379 " (cutoff:3.500A) Processing helix chain 'e' and resid 51 through 60 Processing helix chain 'e' and resid 65 through 74 Processing helix chain 'e' and resid 90 through 100 removed outlier: 3.517A pdb=" N ALA e 95 " --> pdb=" O PRO e 91 " (cutoff:3.500A) Processing helix chain 'e' and resid 110 through 115 Processing helix chain 'e' and resid 116 through 122 Processing helix chain 'e' and resid 136 through 150 removed outlier: 3.605A pdb=" N GLY e 145 " --> pdb=" O THR e 141 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N GLU e 148 " --> pdb=" O ASP e 144 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N LYS e 149 " --> pdb=" O GLY e 145 " (cutoff:3.500A) Processing helix chain 'e' and resid 162 through 171 Processing helix chain 'e' and resid 201 through 209 removed outlier: 3.500A pdb=" N LEU e 207 " --> pdb=" O TYR e 203 " (cutoff:3.500A) Processing helix chain 'e' and resid 210 through 215 Processing helix chain 'e' and resid 247 through 252 Processing helix chain 'e' and resid 280 through 298 removed outlier: 3.695A pdb=" N ASP e 292 " --> pdb=" O ASP e 288 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N ILE e 294 " --> pdb=" O VAL e 290 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LEU e 295 " --> pdb=" O MET e 291 " (cutoff:3.500A) Processing helix chain 'e' and resid 307 through 327 removed outlier: 3.515A pdb=" N LYS e 312 " --> pdb=" O LYS e 308 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ASP e 313 " --> pdb=" O THR e 309 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLY e 317 " --> pdb=" O ASP e 313 " (cutoff:3.500A) removed outlier: 3.792A pdb=" N PHE e 321 " --> pdb=" O GLY e 317 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ASN e 327 " --> pdb=" O ARG e 323 " (cutoff:3.500A) Processing helix chain 'e' and resid 344 through 349 Processing helix chain 'e' and resid 376 through 382 removed outlier: 4.106A pdb=" N THR e 380 " --> pdb=" O GLN e 377 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N VAL e 382 " --> pdb=" O LEU e 379 " (cutoff:3.500A) Processing helix chain 'd' and resid 51 through 60 Processing helix chain 'd' and resid 65 through 74 Processing helix chain 'd' and resid 90 through 100 removed outlier: 3.518A pdb=" N ALA d 95 " --> pdb=" O PRO d 91 " (cutoff:3.500A) Processing helix chain 'd' and resid 110 through 115 Processing helix chain 'd' and resid 116 through 122 Processing helix chain 'd' and resid 136 through 150 removed outlier: 3.605A pdb=" N GLY d 145 " --> pdb=" O THR d 141 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N GLU d 148 " --> pdb=" O ASP d 144 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N LYS d 149 " --> pdb=" O GLY d 145 " (cutoff:3.500A) Processing helix chain 'd' and resid 162 through 171 Processing helix chain 'd' and resid 201 through 209 removed outlier: 3.500A pdb=" N LEU d 207 " --> pdb=" O TYR d 203 " (cutoff:3.500A) Processing helix chain 'd' and resid 210 through 215 Processing helix chain 'd' and resid 247 through 252 Processing helix chain 'd' and resid 280 through 298 removed outlier: 3.696A pdb=" N ASP d 292 " --> pdb=" O ASP d 288 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ILE d 294 " --> pdb=" O VAL d 290 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N LEU d 295 " --> pdb=" O MET d 291 " (cutoff:3.500A) Processing helix chain 'd' and resid 307 through 327 removed outlier: 3.516A pdb=" N LYS d 312 " --> pdb=" O LYS d 308 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ASP d 313 " --> pdb=" O THR d 309 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N GLY d 317 " --> pdb=" O ASP d 313 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N PHE d 321 " --> pdb=" O GLY d 317 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ASN d 327 " --> pdb=" O ARG d 323 " (cutoff:3.500A) Processing helix chain 'd' and resid 344 through 349 Processing helix chain 'd' and resid 376 through 382 removed outlier: 4.106A pdb=" N THR d 380 " --> pdb=" O GLN d 377 " (cutoff:3.500A) removed outlier: 4.153A pdb=" N VAL d 382 " --> pdb=" O LEU d 379 " (cutoff:3.500A) Processing helix chain 'c' and resid 51 through 60 Processing helix chain 'c' and resid 65 through 74 Processing helix chain 'c' and resid 90 through 100 removed outlier: 3.517A pdb=" N ALA c 95 " --> pdb=" O PRO c 91 " (cutoff:3.500A) Processing helix chain 'c' and resid 110 through 115 Processing helix chain 'c' and resid 116 through 122 Processing helix chain 'c' and resid 136 through 150 removed outlier: 3.606A pdb=" N GLY c 145 " --> pdb=" O THR c 141 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N GLU c 148 " --> pdb=" O ASP c 144 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LYS c 149 " --> pdb=" O GLY c 145 " (cutoff:3.500A) Processing helix chain 'c' and resid 162 through 171 Processing helix chain 'c' and resid 201 through 209 removed outlier: 3.501A pdb=" N LEU c 207 " --> pdb=" O TYR c 203 " (cutoff:3.500A) Processing helix chain 'c' and resid 210 through 215 Processing helix chain 'c' and resid 247 through 252 Processing helix chain 'c' and resid 280 through 298 removed outlier: 3.695A pdb=" N ASP c 292 " --> pdb=" O ASP c 288 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ILE c 294 " --> pdb=" O VAL c 290 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N LEU c 295 " --> pdb=" O MET c 291 " (cutoff:3.500A) Processing helix chain 'c' and resid 307 through 327 removed outlier: 3.515A pdb=" N LYS c 312 " --> pdb=" O LYS c 308 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ASP c 313 " --> pdb=" O THR c 309 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N GLY c 317 " --> pdb=" O ASP c 313 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N PHE c 321 " --> pdb=" O GLY c 317 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N ASN c 327 " --> pdb=" O ARG c 323 " (cutoff:3.500A) Processing helix chain 'c' and resid 344 through 349 Processing helix chain 'c' and resid 376 through 382 removed outlier: 4.106A pdb=" N THR c 380 " --> pdb=" O GLN c 377 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N VAL c 382 " --> pdb=" O LEU c 379 " (cutoff:3.500A) Processing helix chain 'A' and resid 14 through 26 removed outlier: 3.571A pdb=" N LEU A 18 " --> pdb=" O GLY A 14 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N VAL A 22 " --> pdb=" O LEU A 18 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ASP A 24 " --> pdb=" O GLN A 20 " (cutoff:3.500A) Processing helix chain 'A' and resid 41 through 45 removed outlier: 4.252A pdb=" N ARG A 44 " --> pdb=" O SER A 41 " (cutoff:3.500A) Processing helix chain 'A' and resid 52 through 71 removed outlier: 3.630A pdb=" N SER A 57 " --> pdb=" O GLU A 53 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ALA A 61 " --> pdb=" O SER A 57 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N TRP A 70 " --> pdb=" O SER A 66 " (cutoff:3.500A) Processing helix chain 'F' and resid 14 through 26 removed outlier: 3.571A pdb=" N LEU F 18 " --> pdb=" O GLY F 14 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N VAL F 22 " --> pdb=" O LEU F 18 " (cutoff:3.500A) removed outlier: 3.861A pdb=" N ASP F 24 " --> pdb=" O GLN F 20 " (cutoff:3.500A) Processing helix chain 'F' and resid 41 through 45 removed outlier: 4.253A pdb=" N ARG F 44 " --> pdb=" O SER F 41 " (cutoff:3.500A) Processing helix chain 'F' and resid 52 through 71 removed outlier: 3.630A pdb=" N SER F 57 " --> pdb=" O GLU F 53 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N ALA F 61 " --> pdb=" O SER F 57 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N TRP F 70 " --> pdb=" O SER F 66 " (cutoff:3.500A) Processing helix chain 'E' and resid 14 through 26 removed outlier: 3.572A pdb=" N LEU E 18 " --> pdb=" O GLY E 14 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N VAL E 22 " --> pdb=" O LEU E 18 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ASP E 24 " --> pdb=" O GLN E 20 " (cutoff:3.500A) Processing helix chain 'E' and resid 41 through 45 removed outlier: 4.253A pdb=" N ARG E 44 " --> pdb=" O SER E 41 " (cutoff:3.500A) Processing helix chain 'E' and resid 52 through 71 removed outlier: 3.631A pdb=" N SER E 57 " --> pdb=" O GLU E 53 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N ALA E 61 " --> pdb=" O SER E 57 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N TRP E 70 " --> pdb=" O SER E 66 " (cutoff:3.500A) Processing helix chain 'D' and resid 14 through 26 removed outlier: 3.571A pdb=" N LEU D 18 " --> pdb=" O GLY D 14 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N VAL D 22 " --> pdb=" O LEU D 18 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ASP D 24 " --> pdb=" O GLN D 20 " (cutoff:3.500A) Processing helix chain 'D' and resid 41 through 45 removed outlier: 4.253A pdb=" N ARG D 44 " --> pdb=" O SER D 41 " (cutoff:3.500A) Processing helix chain 'D' and resid 52 through 71 removed outlier: 3.631A pdb=" N SER D 57 " --> pdb=" O GLU D 53 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N ALA D 61 " --> pdb=" O SER D 57 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N TRP D 70 " --> pdb=" O SER D 66 " (cutoff:3.500A) Processing helix chain 'C' and resid 14 through 26 removed outlier: 3.572A pdb=" N LEU C 18 " --> pdb=" O GLY C 14 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N VAL C 22 " --> pdb=" O LEU C 18 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ASP C 24 " --> pdb=" O GLN C 20 " (cutoff:3.500A) Processing helix chain 'C' and resid 41 through 45 removed outlier: 4.253A pdb=" N ARG C 44 " --> pdb=" O SER C 41 " (cutoff:3.500A) Processing helix chain 'C' and resid 52 through 71 removed outlier: 3.630A pdb=" N SER C 57 " --> pdb=" O GLU C 53 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N ALA C 61 " --> pdb=" O SER C 57 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N TRP C 70 " --> pdb=" O SER C 66 " (cutoff:3.500A) Processing helix chain 'N' and resid 18 through 34 removed outlier: 3.523A pdb=" N ILE N 22 " --> pdb=" O ASP N 18 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ASP N 29 " --> pdb=" O GLU N 25 " (cutoff:3.500A) Processing helix chain 'N' and resid 44 through 58 removed outlier: 3.530A pdb=" N TYR N 56 " --> pdb=" O GLN N 52 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N GLU N 58 " --> pdb=" O ALA N 54 " (cutoff:3.500A) Processing helix chain 'N' and resid 58 through 71 removed outlier: 3.546A pdb=" N ALA N 63 " --> pdb=" O LEU N 59 " (cutoff:3.500A) removed outlier: 3.944A pdb=" N ALA N 71 " --> pdb=" O ASP N 67 " (cutoff:3.500A) Processing helix chain 'N' and resid 81 through 87 removed outlier: 3.599A pdb=" N ILE N 85 " --> pdb=" O ASP N 81 " (cutoff:3.500A) Processing helix chain 'N' and resid 88 through 90 No H-bonds generated for 'chain 'N' and resid 88 through 90' Processing helix chain 'N' and resid 116 through 123 Processing helix chain 'N' and resid 124 through 128 removed outlier: 3.717A pdb=" N LEU N 128 " --> pdb=" O PHE N 125 " (cutoff:3.500A) Processing helix chain 'N' and resid 135 through 142 removed outlier: 3.586A pdb=" N ALA N 141 " --> pdb=" O TYR N 137 " (cutoff:3.500A) Processing helix chain 'N' and resid 175 through 180 Processing helix chain 'N' and resid 180 through 186 removed outlier: 3.642A pdb=" N LEU N 184 " --> pdb=" O GLN N 180 " (cutoff:3.500A) Processing helix chain 'N' and resid 221 through 228 removed outlier: 3.900A pdb=" N ILE N 225 " --> pdb=" O GLU N 221 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N ARG N 226 " --> pdb=" O ALA N 222 " (cutoff:3.500A) Processing helix chain 'N' and resid 236 through 240 Processing helix chain 'N' and resid 250 through 255 removed outlier: 3.625A pdb=" N THR N 255 " --> pdb=" O ALA N 251 " (cutoff:3.500A) Processing helix chain 'R' and resid 18 through 34 removed outlier: 3.524A pdb=" N ILE R 22 " --> pdb=" O ASP R 18 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ASP R 29 " --> pdb=" O GLU R 25 " (cutoff:3.500A) Processing helix chain 'R' and resid 44 through 58 removed outlier: 3.529A pdb=" N TYR R 56 " --> pdb=" O GLN R 52 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N GLU R 58 " --> pdb=" O ALA R 54 " (cutoff:3.500A) Processing helix chain 'R' and resid 58 through 71 removed outlier: 3.547A pdb=" N ALA R 63 " --> pdb=" O LEU R 59 " (cutoff:3.500A) removed outlier: 3.944A pdb=" N ALA R 71 " --> pdb=" O ASP R 67 " (cutoff:3.500A) Processing helix chain 'R' and resid 81 through 87 removed outlier: 3.599A pdb=" N ILE R 85 " --> pdb=" O ASP R 81 " (cutoff:3.500A) Processing helix chain 'R' and resid 88 through 90 No H-bonds generated for 'chain 'R' and resid 88 through 90' Processing helix chain 'R' and resid 116 through 123 Processing helix chain 'R' and resid 124 through 128 removed outlier: 3.719A pdb=" N LEU R 128 " --> pdb=" O PHE R 125 " (cutoff:3.500A) Processing helix chain 'R' and resid 135 through 142 removed outlier: 3.586A pdb=" N ALA R 141 " --> pdb=" O TYR R 137 " (cutoff:3.500A) Processing helix chain 'R' and resid 175 through 180 Processing helix chain 'R' and resid 180 through 186 removed outlier: 3.642A pdb=" N LEU R 184 " --> pdb=" O GLN R 180 " (cutoff:3.500A) Processing helix chain 'R' and resid 221 through 228 removed outlier: 3.901A pdb=" N ILE R 225 " --> pdb=" O GLU R 221 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N ARG R 226 " --> pdb=" O ALA R 222 " (cutoff:3.500A) Processing helix chain 'R' and resid 236 through 240 Processing helix chain 'R' and resid 250 through 255 removed outlier: 3.624A pdb=" N THR R 255 " --> pdb=" O ALA R 251 " (cutoff:3.500A) Processing helix chain 'Q' and resid 18 through 34 removed outlier: 3.523A pdb=" N ILE Q 22 " --> pdb=" O ASP Q 18 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ASP Q 29 " --> pdb=" O GLU Q 25 " (cutoff:3.500A) Processing helix chain 'Q' and resid 44 through 58 removed outlier: 3.530A pdb=" N TYR Q 56 " --> pdb=" O GLN Q 52 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N GLU Q 58 " --> pdb=" O ALA Q 54 " (cutoff:3.500A) Processing helix chain 'Q' and resid 58 through 71 removed outlier: 3.546A pdb=" N ALA Q 63 " --> pdb=" O LEU Q 59 " (cutoff:3.500A) removed outlier: 3.944A pdb=" N ALA Q 71 " --> pdb=" O ASP Q 67 " (cutoff:3.500A) Processing helix chain 'Q' and resid 81 through 87 removed outlier: 3.599A pdb=" N ILE Q 85 " --> pdb=" O ASP Q 81 " (cutoff:3.500A) Processing helix chain 'Q' and resid 88 through 90 No H-bonds generated for 'chain 'Q' and resid 88 through 90' Processing helix chain 'Q' and resid 116 through 123 Processing helix chain 'Q' and resid 124 through 128 removed outlier: 3.718A pdb=" N LEU Q 128 " --> pdb=" O PHE Q 125 " (cutoff:3.500A) Processing helix chain 'Q' and resid 135 through 142 removed outlier: 3.586A pdb=" N ALA Q 141 " --> pdb=" O TYR Q 137 " (cutoff:3.500A) Processing helix chain 'Q' and resid 175 through 180 Processing helix chain 'Q' and resid 180 through 186 removed outlier: 3.643A pdb=" N LEU Q 184 " --> pdb=" O GLN Q 180 " (cutoff:3.500A) Processing helix chain 'Q' and resid 221 through 228 removed outlier: 3.901A pdb=" N ILE Q 225 " --> pdb=" O GLU Q 221 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N ARG Q 226 " --> pdb=" O ALA Q 222 " (cutoff:3.500A) Processing helix chain 'Q' and resid 236 through 240 Processing helix chain 'Q' and resid 250 through 255 removed outlier: 3.624A pdb=" N THR Q 255 " --> pdb=" O ALA Q 251 " (cutoff:3.500A) Processing helix chain 'P' and resid 18 through 34 removed outlier: 3.523A pdb=" N ILE P 22 " --> pdb=" O ASP P 18 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ASP P 29 " --> pdb=" O GLU P 25 " (cutoff:3.500A) Processing helix chain 'P' and resid 44 through 58 removed outlier: 3.529A pdb=" N TYR P 56 " --> pdb=" O GLN P 52 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N GLU P 58 " --> pdb=" O ALA P 54 " (cutoff:3.500A) Processing helix chain 'P' and resid 58 through 71 removed outlier: 3.547A pdb=" N ALA P 63 " --> pdb=" O LEU P 59 " (cutoff:3.500A) removed outlier: 3.944A pdb=" N ALA P 71 " --> pdb=" O ASP P 67 " (cutoff:3.500A) Processing helix chain 'P' and resid 81 through 87 removed outlier: 3.599A pdb=" N ILE P 85 " --> pdb=" O ASP P 81 " (cutoff:3.500A) Processing helix chain 'P' and resid 88 through 90 No H-bonds generated for 'chain 'P' and resid 88 through 90' Processing helix chain 'P' and resid 116 through 123 Processing helix chain 'P' and resid 124 through 128 removed outlier: 3.718A pdb=" N LEU P 128 " --> pdb=" O PHE P 125 " (cutoff:3.500A) Processing helix chain 'P' and resid 135 through 142 removed outlier: 3.586A pdb=" N ALA P 141 " --> pdb=" O TYR P 137 " (cutoff:3.500A) Processing helix chain 'P' and resid 175 through 180 Processing helix chain 'P' and resid 180 through 186 removed outlier: 3.643A pdb=" N LEU P 184 " --> pdb=" O GLN P 180 " (cutoff:3.500A) Processing helix chain 'P' and resid 221 through 228 removed outlier: 3.901A pdb=" N ILE P 225 " --> pdb=" O GLU P 221 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N ARG P 226 " --> pdb=" O ALA P 222 " (cutoff:3.500A) Processing helix chain 'P' and resid 236 through 240 Processing helix chain 'P' and resid 250 through 255 removed outlier: 3.624A pdb=" N THR P 255 " --> pdb=" O ALA P 251 " (cutoff:3.500A) Processing helix chain 'O' and resid 18 through 34 removed outlier: 3.522A pdb=" N ILE O 22 " --> pdb=" O ASP O 18 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ASP O 29 " --> pdb=" O GLU O 25 " (cutoff:3.500A) Processing helix chain 'O' and resid 44 through 58 removed outlier: 3.529A pdb=" N TYR O 56 " --> pdb=" O GLN O 52 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N GLU O 58 " --> pdb=" O ALA O 54 " (cutoff:3.500A) Processing helix chain 'O' and resid 58 through 71 removed outlier: 3.546A pdb=" N ALA O 63 " --> pdb=" O LEU O 59 " (cutoff:3.500A) removed outlier: 3.944A pdb=" N ALA O 71 " --> pdb=" O ASP O 67 " (cutoff:3.500A) Processing helix chain 'O' and resid 81 through 87 removed outlier: 3.599A pdb=" N ILE O 85 " --> pdb=" O ASP O 81 " (cutoff:3.500A) Processing helix chain 'O' and resid 88 through 90 No H-bonds generated for 'chain 'O' and resid 88 through 90' Processing helix chain 'O' and resid 116 through 123 Processing helix chain 'O' and resid 124 through 128 removed outlier: 3.718A pdb=" N LEU O 128 " --> pdb=" O PHE O 125 " (cutoff:3.500A) Processing helix chain 'O' and resid 135 through 142 removed outlier: 3.585A pdb=" N ALA O 141 " --> pdb=" O TYR O 137 " (cutoff:3.500A) Processing helix chain 'O' and resid 175 through 180 Processing helix chain 'O' and resid 180 through 186 removed outlier: 3.642A pdb=" N LEU O 184 " --> pdb=" O GLN O 180 " (cutoff:3.500A) Processing helix chain 'O' and resid 221 through 228 removed outlier: 3.900A pdb=" N ILE O 225 " --> pdb=" O GLU O 221 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N ARG O 226 " --> pdb=" O ALA O 222 " (cutoff:3.500A) Processing helix chain 'O' and resid 236 through 240 Processing helix chain 'O' and resid 250 through 255 removed outlier: 3.624A pdb=" N THR O 255 " --> pdb=" O ALA O 251 " (cutoff:3.500A) Processing helix chain 'H' and resid 12 through 22 removed outlier: 3.568A pdb=" N HIS H 19 " --> pdb=" O SER H 15 " (cutoff:3.500A) Processing helix chain 'H' and resid 28 through 34 Processing helix chain 'L' and resid 12 through 22 removed outlier: 3.569A pdb=" N HIS L 19 " --> pdb=" O SER L 15 " (cutoff:3.500A) Processing helix chain 'L' and resid 28 through 34 Processing helix chain 'K' and resid 12 through 22 removed outlier: 3.568A pdb=" N HIS K 19 " --> pdb=" O SER K 15 " (cutoff:3.500A) Processing helix chain 'K' and resid 28 through 34 Processing helix chain 'J' and resid 12 through 22 removed outlier: 3.568A pdb=" N HIS J 19 " --> pdb=" O SER J 15 " (cutoff:3.500A) Processing helix chain 'J' and resid 28 through 34 Processing helix chain 'I' and resid 12 through 22 removed outlier: 3.569A pdb=" N HIS I 19 " --> pdb=" O SER I 15 " (cutoff:3.500A) Processing helix chain 'I' and resid 28 through 34 Processing helix chain 'g' and resid 51 through 60 Processing helix chain 'g' and resid 65 through 74 removed outlier: 3.738A pdb=" N ASN g 74 " --> pdb=" O GLU g 70 " (cutoff:3.500A) Processing helix chain 'g' and resid 92 through 99 removed outlier: 3.945A pdb=" N SER g 96 " --> pdb=" O GLU g 92 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N ALA g 97 " --> pdb=" O ALA g 93 " (cutoff:3.500A) Processing helix chain 'g' and resid 110 through 116 Processing helix chain 'g' and resid 117 through 122 Processing helix chain 'g' and resid 132 through 135 removed outlier: 3.733A pdb=" N ALA g 135 " --> pdb=" O GLY g 132 " (cutoff:3.500A) No H-bonds generated for 'chain 'g' and resid 132 through 135' Processing helix chain 'g' and resid 136 through 150 removed outlier: 3.965A pdb=" N GLY g 145 " --> pdb=" O THR g 141 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N LEU g 146 " --> pdb=" O ALA g 142 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N GLU g 148 " --> pdb=" O ASP g 144 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LYS g 149 " --> pdb=" O GLY g 145 " (cutoff:3.500A) Processing helix chain 'g' and resid 162 through 171 Processing helix chain 'g' and resid 201 through 215 removed outlier: 3.680A pdb=" N LEU g 207 " --> pdb=" O TYR g 203 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N ASP g 212 " --> pdb=" O PHE g 208 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA g 213 " --> pdb=" O ALA g 209 " (cutoff:3.500A) Processing helix chain 'g' and resid 247 through 252 Processing helix chain 'g' and resid 280 through 298 removed outlier: 3.720A pdb=" N ILE g 294 " --> pdb=" O VAL g 290 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N LEU g 295 " --> pdb=" O MET g 291 " (cutoff:3.500A) Processing helix chain 'g' and resid 299 through 302 removed outlier: 4.185A pdb=" N VAL g 302 " --> pdb=" O LYS g 299 " (cutoff:3.500A) No H-bonds generated for 'chain 'g' and resid 299 through 302' Processing helix chain 'g' and resid 307 through 327 removed outlier: 4.004A pdb=" N ASP g 313 " --> pdb=" O THR g 309 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N GLY g 317 " --> pdb=" O ASP g 313 " (cutoff:3.500A) Processing helix chain 'g' and resid 344 through 349 Processing helix chain 'g' and resid 376 through 382 removed outlier: 4.096A pdb=" N THR g 380 " --> pdb=" O GLN g 377 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N VAL g 382 " --> pdb=" O LEU g 379 " (cutoff:3.500A) Processing helix chain 'S' and resid 4 through 8 removed outlier: 3.612A pdb=" N GLN S 7 " --> pdb=" O ASP S 4 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N LEU S 8 " --> pdb=" O LEU S 5 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 4 through 8' Processing helix chain 'S' and resid 19 through 35 removed outlier: 4.282A pdb=" N GLU S 25 " --> pdb=" O THR S 21 " (cutoff:3.500A) removed outlier: 4.980A pdb=" N GLU S 32 " --> pdb=" O GLY S 28 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N ALA S 33 " --> pdb=" O ASP S 29 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N ALA S 35 " --> pdb=" O ARG S 31 " (cutoff:3.500A) Processing helix chain 'S' and resid 56 through 71 Processing helix chain 'S' and resid 78 through 80 No H-bonds generated for 'chain 'S' and resid 78 through 80' Processing helix chain 'S' and resid 81 through 89 removed outlier: 3.697A pdb=" N ILE S 85 " --> pdb=" O ASP S 81 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N GLY S 88 " --> pdb=" O GLN S 84 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N PHE S 89 " --> pdb=" O ILE S 85 " (cutoff:3.500A) Processing helix chain 'S' and resid 116 through 123 removed outlier: 3.644A pdb=" N GLN S 122 " --> pdb=" O ARG S 118 " (cutoff:3.500A) Processing helix chain 'S' and resid 133 through 138 removed outlier: 4.315A pdb=" N ILE S 138 " --> pdb=" O ARG S 134 " (cutoff:3.500A) Processing helix chain 'S' and resid 139 through 142 removed outlier: 3.747A pdb=" N LEU S 142 " --> pdb=" O ALA S 139 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 139 through 142' Processing helix chain 'S' and resid 176 through 190 removed outlier: 4.357A pdb=" N GLN S 180 " --> pdb=" O GLU S 176 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N ALA S 181 " --> pdb=" O ALA S 177 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ARG S 183 " --> pdb=" O LEU S 179 " (cutoff:3.500A) removed outlier: 4.260A pdb=" N ALA S 185 " --> pdb=" O ALA S 181 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N ASN S 187 " --> pdb=" O ARG S 183 " (cutoff:3.500A) removed outlier: 4.704A pdb=" N ALA S 188 " --> pdb=" O LEU S 184 " (cutoff:3.500A) Processing helix chain 'S' and resid 219 through 222 removed outlier: 3.679A pdb=" N ALA S 222 " --> pdb=" O GLY S 219 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 219 through 222' Processing helix chain 'S' and resid 223 through 240 removed outlier: 3.736A pdb=" N ALA S 227 " --> pdb=" O GLU S 223 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N TYR S 236 " --> pdb=" O SER S 232 " (cutoff:3.500A) Processing helix chain 'S' and resid 250 through 257 removed outlier: 3.642A pdb=" N ALA S 254 " --> pdb=" O SER S 250 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR S 255 " --> pdb=" O ALA S 251 " (cutoff:3.500A) Processing helix chain 'h' and resid 51 through 60 Processing helix chain 'h' and resid 65 through 74 removed outlier: 3.737A pdb=" N ASN h 74 " --> pdb=" O GLU h 70 " (cutoff:3.500A) Processing helix chain 'h' and resid 92 through 99 removed outlier: 3.945A pdb=" N SER h 96 " --> pdb=" O GLU h 92 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA h 97 " --> pdb=" O ALA h 93 " (cutoff:3.500A) Processing helix chain 'h' and resid 110 through 116 Processing helix chain 'h' and resid 117 through 122 Processing helix chain 'h' and resid 132 through 135 removed outlier: 3.732A pdb=" N ALA h 135 " --> pdb=" O GLY h 132 " (cutoff:3.500A) No H-bonds generated for 'chain 'h' and resid 132 through 135' Processing helix chain 'h' and resid 136 through 150 removed outlier: 3.965A pdb=" N GLY h 145 " --> pdb=" O THR h 141 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU h 146 " --> pdb=" O ALA h 142 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLU h 148 " --> pdb=" O ASP h 144 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N LYS h 149 " --> pdb=" O GLY h 145 " (cutoff:3.500A) Processing helix chain 'h' and resid 162 through 171 Processing helix chain 'h' and resid 201 through 215 removed outlier: 3.681A pdb=" N LEU h 207 " --> pdb=" O TYR h 203 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N ASP h 212 " --> pdb=" O PHE h 208 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA h 213 " --> pdb=" O ALA h 209 " (cutoff:3.500A) Processing helix chain 'h' and resid 247 through 252 Processing helix chain 'h' and resid 280 through 298 removed outlier: 3.720A pdb=" N ILE h 294 " --> pdb=" O VAL h 290 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N LEU h 295 " --> pdb=" O MET h 291 " (cutoff:3.500A) Processing helix chain 'h' and resid 299 through 302 removed outlier: 4.185A pdb=" N VAL h 302 " --> pdb=" O LYS h 299 " (cutoff:3.500A) No H-bonds generated for 'chain 'h' and resid 299 through 302' Processing helix chain 'h' and resid 307 through 327 removed outlier: 4.004A pdb=" N ASP h 313 " --> pdb=" O THR h 309 " (cutoff:3.500A) removed outlier: 3.904A pdb=" N GLY h 317 " --> pdb=" O ASP h 313 " (cutoff:3.500A) Processing helix chain 'h' and resid 344 through 349 Processing helix chain 'h' and resid 376 through 382 removed outlier: 4.096A pdb=" N THR h 380 " --> pdb=" O GLN h 377 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N VAL h 382 " --> pdb=" O LEU h 379 " (cutoff:3.500A) Processing helix chain 'l' and resid 51 through 60 Processing helix chain 'l' and resid 65 through 74 removed outlier: 3.737A pdb=" N ASN l 74 " --> pdb=" O GLU l 70 " (cutoff:3.500A) Processing helix chain 'l' and resid 92 through 99 removed outlier: 3.946A pdb=" N SER l 96 " --> pdb=" O GLU l 92 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ALA l 97 " --> pdb=" O ALA l 93 " (cutoff:3.500A) Processing helix chain 'l' and resid 110 through 116 Processing helix chain 'l' and resid 117 through 122 Processing helix chain 'l' and resid 132 through 135 removed outlier: 3.733A pdb=" N ALA l 135 " --> pdb=" O GLY l 132 " (cutoff:3.500A) No H-bonds generated for 'chain 'l' and resid 132 through 135' Processing helix chain 'l' and resid 136 through 150 removed outlier: 3.965A pdb=" N GLY l 145 " --> pdb=" O THR l 141 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N LEU l 146 " --> pdb=" O ALA l 142 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLU l 148 " --> pdb=" O ASP l 144 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LYS l 149 " --> pdb=" O GLY l 145 " (cutoff:3.500A) Processing helix chain 'l' and resid 162 through 171 Processing helix chain 'l' and resid 201 through 215 removed outlier: 3.681A pdb=" N LEU l 207 " --> pdb=" O TYR l 203 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N ASP l 212 " --> pdb=" O PHE l 208 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA l 213 " --> pdb=" O ALA l 209 " (cutoff:3.500A) Processing helix chain 'l' and resid 247 through 252 Processing helix chain 'l' and resid 280 through 298 removed outlier: 3.721A pdb=" N ILE l 294 " --> pdb=" O VAL l 290 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N LEU l 295 " --> pdb=" O MET l 291 " (cutoff:3.500A) Processing helix chain 'l' and resid 299 through 302 removed outlier: 4.185A pdb=" N VAL l 302 " --> pdb=" O LYS l 299 " (cutoff:3.500A) No H-bonds generated for 'chain 'l' and resid 299 through 302' Processing helix chain 'l' and resid 307 through 327 removed outlier: 4.005A pdb=" N ASP l 313 " --> pdb=" O THR l 309 " (cutoff:3.500A) removed outlier: 3.904A pdb=" N GLY l 317 " --> pdb=" O ASP l 313 " (cutoff:3.500A) Processing helix chain 'l' and resid 344 through 349 Processing helix chain 'l' and resid 376 through 382 removed outlier: 4.096A pdb=" N THR l 380 " --> pdb=" O GLN l 377 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N VAL l 382 " --> pdb=" O LEU l 379 " (cutoff:3.500A) Processing helix chain 'k' and resid 51 through 60 Processing helix chain 'k' and resid 65 through 74 removed outlier: 3.737A pdb=" N ASN k 74 " --> pdb=" O GLU k 70 " (cutoff:3.500A) Processing helix chain 'k' and resid 92 through 99 removed outlier: 3.946A pdb=" N SER k 96 " --> pdb=" O GLU k 92 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N ALA k 97 " --> pdb=" O ALA k 93 " (cutoff:3.500A) Processing helix chain 'k' and resid 110 through 116 Processing helix chain 'k' and resid 117 through 122 Processing helix chain 'k' and resid 132 through 135 removed outlier: 3.733A pdb=" N ALA k 135 " --> pdb=" O GLY k 132 " (cutoff:3.500A) No H-bonds generated for 'chain 'k' and resid 132 through 135' Processing helix chain 'k' and resid 136 through 150 removed outlier: 3.966A pdb=" N GLY k 145 " --> pdb=" O THR k 141 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU k 146 " --> pdb=" O ALA k 142 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLU k 148 " --> pdb=" O ASP k 144 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N LYS k 149 " --> pdb=" O GLY k 145 " (cutoff:3.500A) Processing helix chain 'k' and resid 162 through 171 Processing helix chain 'k' and resid 201 through 215 removed outlier: 3.680A pdb=" N LEU k 207 " --> pdb=" O TYR k 203 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N ASP k 212 " --> pdb=" O PHE k 208 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ALA k 213 " --> pdb=" O ALA k 209 " (cutoff:3.500A) Processing helix chain 'k' and resid 247 through 252 Processing helix chain 'k' and resid 280 through 298 removed outlier: 3.721A pdb=" N ILE k 294 " --> pdb=" O VAL k 290 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N LEU k 295 " --> pdb=" O MET k 291 " (cutoff:3.500A) Processing helix chain 'k' and resid 299 through 302 removed outlier: 4.186A pdb=" N VAL k 302 " --> pdb=" O LYS k 299 " (cutoff:3.500A) No H-bonds generated for 'chain 'k' and resid 299 through 302' Processing helix chain 'k' and resid 307 through 327 removed outlier: 4.003A pdb=" N ASP k 313 " --> pdb=" O THR k 309 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N GLY k 317 " --> pdb=" O ASP k 313 " (cutoff:3.500A) Processing helix chain 'k' and resid 344 through 349 Processing helix chain 'k' and resid 376 through 382 removed outlier: 4.097A pdb=" N THR k 380 " --> pdb=" O GLN k 377 " (cutoff:3.500A) removed outlier: 3.929A pdb=" N VAL k 382 " --> pdb=" O LEU k 379 " (cutoff:3.500A) Processing helix chain 'j' and resid 51 through 60 Processing helix chain 'j' and resid 65 through 74 removed outlier: 3.737A pdb=" N ASN j 74 " --> pdb=" O GLU j 70 " (cutoff:3.500A) Processing helix chain 'j' and resid 92 through 99 removed outlier: 3.946A pdb=" N SER j 96 " --> pdb=" O GLU j 92 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N ALA j 97 " --> pdb=" O ALA j 93 " (cutoff:3.500A) Processing helix chain 'j' and resid 110 through 116 Processing helix chain 'j' and resid 117 through 122 Processing helix chain 'j' and resid 132 through 135 removed outlier: 3.732A pdb=" N ALA j 135 " --> pdb=" O GLY j 132 " (cutoff:3.500A) No H-bonds generated for 'chain 'j' and resid 132 through 135' Processing helix chain 'j' and resid 136 through 150 removed outlier: 3.965A pdb=" N GLY j 145 " --> pdb=" O THR j 141 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N LEU j 146 " --> pdb=" O ALA j 142 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N GLU j 148 " --> pdb=" O ASP j 144 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LYS j 149 " --> pdb=" O GLY j 145 " (cutoff:3.500A) Processing helix chain 'j' and resid 162 through 171 Processing helix chain 'j' and resid 201 through 215 removed outlier: 3.680A pdb=" N LEU j 207 " --> pdb=" O TYR j 203 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N ASP j 212 " --> pdb=" O PHE j 208 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA j 213 " --> pdb=" O ALA j 209 " (cutoff:3.500A) Processing helix chain 'j' and resid 247 through 252 Processing helix chain 'j' and resid 280 through 298 removed outlier: 3.721A pdb=" N ILE j 294 " --> pdb=" O VAL j 290 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N LEU j 295 " --> pdb=" O MET j 291 " (cutoff:3.500A) Processing helix chain 'j' and resid 299 through 302 removed outlier: 4.186A pdb=" N VAL j 302 " --> pdb=" O LYS j 299 " (cutoff:3.500A) No H-bonds generated for 'chain 'j' and resid 299 through 302' Processing helix chain 'j' and resid 307 through 327 removed outlier: 4.004A pdb=" N ASP j 313 " --> pdb=" O THR j 309 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N GLY j 317 " --> pdb=" O ASP j 313 " (cutoff:3.500A) Processing helix chain 'j' and resid 344 through 349 Processing helix chain 'j' and resid 376 through 382 removed outlier: 4.096A pdb=" N THR j 380 " --> pdb=" O GLN j 377 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N VAL j 382 " --> pdb=" O LEU j 379 " (cutoff:3.500A) Processing helix chain 'i' and resid 51 through 60 Processing helix chain 'i' and resid 65 through 74 removed outlier: 3.737A pdb=" N ASN i 74 " --> pdb=" O GLU i 70 " (cutoff:3.500A) Processing helix chain 'i' and resid 92 through 99 removed outlier: 3.945A pdb=" N SER i 96 " --> pdb=" O GLU i 92 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N ALA i 97 " --> pdb=" O ALA i 93 " (cutoff:3.500A) Processing helix chain 'i' and resid 110 through 116 Processing helix chain 'i' and resid 117 through 122 Processing helix chain 'i' and resid 132 through 135 removed outlier: 3.732A pdb=" N ALA i 135 " --> pdb=" O GLY i 132 " (cutoff:3.500A) No H-bonds generated for 'chain 'i' and resid 132 through 135' Processing helix chain 'i' and resid 136 through 150 removed outlier: 3.964A pdb=" N GLY i 145 " --> pdb=" O THR i 141 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N LEU i 146 " --> pdb=" O ALA i 142 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N GLU i 148 " --> pdb=" O ASP i 144 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LYS i 149 " --> pdb=" O GLY i 145 " (cutoff:3.500A) Processing helix chain 'i' and resid 162 through 171 Processing helix chain 'i' and resid 201 through 215 removed outlier: 3.680A pdb=" N LEU i 207 " --> pdb=" O TYR i 203 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N ASP i 212 " --> pdb=" O PHE i 208 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA i 213 " --> pdb=" O ALA i 209 " (cutoff:3.500A) Processing helix chain 'i' and resid 247 through 252 Processing helix chain 'i' and resid 280 through 298 removed outlier: 3.722A pdb=" N ILE i 294 " --> pdb=" O VAL i 290 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N LEU i 295 " --> pdb=" O MET i 291 " (cutoff:3.500A) Processing helix chain 'i' and resid 299 through 302 removed outlier: 4.186A pdb=" N VAL i 302 " --> pdb=" O LYS i 299 " (cutoff:3.500A) No H-bonds generated for 'chain 'i' and resid 299 through 302' Processing helix chain 'i' and resid 307 through 327 removed outlier: 4.003A pdb=" N ASP i 313 " --> pdb=" O THR i 309 " (cutoff:3.500A) removed outlier: 3.904A pdb=" N GLY i 317 " --> pdb=" O ASP i 313 " (cutoff:3.500A) Processing helix chain 'i' and resid 344 through 349 Processing helix chain 'i' and resid 376 through 382 removed outlier: 4.097A pdb=" N THR i 380 " --> pdb=" O GLN i 377 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N VAL i 382 " --> pdb=" O LEU i 379 " (cutoff:3.500A) Processing helix chain 'T' and resid 4 through 8 removed outlier: 3.611A pdb=" N GLN T 7 " --> pdb=" O ASP T 4 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N LEU T 8 " --> pdb=" O LEU T 5 " (cutoff:3.500A) No H-bonds generated for 'chain 'T' and resid 4 through 8' Processing helix chain 'T' and resid 19 through 35 removed outlier: 4.282A pdb=" N GLU T 25 " --> pdb=" O THR T 21 " (cutoff:3.500A) removed outlier: 4.979A pdb=" N GLU T 32 " --> pdb=" O GLY T 28 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N ALA T 33 " --> pdb=" O ASP T 29 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N ALA T 35 " --> pdb=" O ARG T 31 " (cutoff:3.500A) Processing helix chain 'T' and resid 56 through 71 Processing helix chain 'T' and resid 78 through 80 No H-bonds generated for 'chain 'T' and resid 78 through 80' Processing helix chain 'T' and resid 81 through 89 removed outlier: 3.696A pdb=" N ILE T 85 " --> pdb=" O ASP T 81 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N GLY T 88 " --> pdb=" O GLN T 84 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N PHE T 89 " --> pdb=" O ILE T 85 " (cutoff:3.500A) Processing helix chain 'T' and resid 116 through 123 removed outlier: 3.644A pdb=" N GLN T 122 " --> pdb=" O ARG T 118 " (cutoff:3.500A) Processing helix chain 'T' and resid 133 through 138 removed outlier: 4.315A pdb=" N ILE T 138 " --> pdb=" O ARG T 134 " (cutoff:3.500A) Processing helix chain 'T' and resid 139 through 142 removed outlier: 3.747A pdb=" N LEU T 142 " --> pdb=" O ALA T 139 " (cutoff:3.500A) No H-bonds generated for 'chain 'T' and resid 139 through 142' Processing helix chain 'T' and resid 176 through 190 removed outlier: 4.357A pdb=" N GLN T 180 " --> pdb=" O GLU T 176 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N ALA T 181 " --> pdb=" O ALA T 177 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N ARG T 183 " --> pdb=" O LEU T 179 " (cutoff:3.500A) removed outlier: 4.260A pdb=" N ALA T 185 " --> pdb=" O ALA T 181 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N ASN T 187 " --> pdb=" O ARG T 183 " (cutoff:3.500A) removed outlier: 4.705A pdb=" N ALA T 188 " --> pdb=" O LEU T 184 " (cutoff:3.500A) Processing helix chain 'T' and resid 219 through 222 removed outlier: 3.680A pdb=" N ALA T 222 " --> pdb=" O GLY T 219 " (cutoff:3.500A) No H-bonds generated for 'chain 'T' and resid 219 through 222' Processing helix chain 'T' and resid 223 through 240 removed outlier: 3.736A pdb=" N ALA T 227 " --> pdb=" O GLU T 223 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N TYR T 236 " --> pdb=" O SER T 232 " (cutoff:3.500A) Processing helix chain 'T' and resid 250 through 257 removed outlier: 3.641A pdb=" N ALA T 254 " --> pdb=" O SER T 250 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR T 255 " --> pdb=" O ALA T 251 " (cutoff:3.500A) Processing helix chain 'X' and resid 4 through 8 removed outlier: 3.611A pdb=" N GLN X 7 " --> pdb=" O ASP X 4 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N LEU X 8 " --> pdb=" O LEU X 5 " (cutoff:3.500A) No H-bonds generated for 'chain 'X' and resid 4 through 8' Processing helix chain 'X' and resid 19 through 35 removed outlier: 4.281A pdb=" N GLU X 25 " --> pdb=" O THR X 21 " (cutoff:3.500A) removed outlier: 4.981A pdb=" N GLU X 32 " --> pdb=" O GLY X 28 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ALA X 33 " --> pdb=" O ASP X 29 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N ALA X 35 " --> pdb=" O ARG X 31 " (cutoff:3.500A) Processing helix chain 'X' and resid 56 through 71 Processing helix chain 'X' and resid 78 through 80 No H-bonds generated for 'chain 'X' and resid 78 through 80' Processing helix chain 'X' and resid 81 through 89 removed outlier: 3.697A pdb=" N ILE X 85 " --> pdb=" O ASP X 81 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N GLY X 88 " --> pdb=" O GLN X 84 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N PHE X 89 " --> pdb=" O ILE X 85 " (cutoff:3.500A) Processing helix chain 'X' and resid 116 through 123 removed outlier: 3.645A pdb=" N GLN X 122 " --> pdb=" O ARG X 118 " (cutoff:3.500A) Processing helix chain 'X' and resid 133 through 138 removed outlier: 4.315A pdb=" N ILE X 138 " --> pdb=" O ARG X 134 " (cutoff:3.500A) Processing helix chain 'X' and resid 139 through 142 removed outlier: 3.746A pdb=" N LEU X 142 " --> pdb=" O ALA X 139 " (cutoff:3.500A) No H-bonds generated for 'chain 'X' and resid 139 through 142' Processing helix chain 'X' and resid 176 through 190 removed outlier: 4.357A pdb=" N GLN X 180 " --> pdb=" O GLU X 176 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N ALA X 181 " --> pdb=" O ALA X 177 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ARG X 183 " --> pdb=" O LEU X 179 " (cutoff:3.500A) removed outlier: 4.260A pdb=" N ALA X 185 " --> pdb=" O ALA X 181 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N ASN X 187 " --> pdb=" O ARG X 183 " (cutoff:3.500A) removed outlier: 4.704A pdb=" N ALA X 188 " --> pdb=" O LEU X 184 " (cutoff:3.500A) Processing helix chain 'X' and resid 219 through 222 removed outlier: 3.680A pdb=" N ALA X 222 " --> pdb=" O GLY X 219 " (cutoff:3.500A) No H-bonds generated for 'chain 'X' and resid 219 through 222' Processing helix chain 'X' and resid 223 through 240 removed outlier: 3.737A pdb=" N ALA X 227 " --> pdb=" O GLU X 223 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N TYR X 236 " --> pdb=" O SER X 232 " (cutoff:3.500A) Processing helix chain 'X' and resid 250 through 257 removed outlier: 3.642A pdb=" N ALA X 254 " --> pdb=" O SER X 250 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR X 255 " --> pdb=" O ALA X 251 " (cutoff:3.500A) Processing helix chain 'W' and resid 4 through 8 removed outlier: 3.612A pdb=" N GLN W 7 " --> pdb=" O ASP W 4 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N LEU W 8 " --> pdb=" O LEU W 5 " (cutoff:3.500A) No H-bonds generated for 'chain 'W' and resid 4 through 8' Processing helix chain 'W' and resid 19 through 35 removed outlier: 4.281A pdb=" N GLU W 25 " --> pdb=" O THR W 21 " (cutoff:3.500A) removed outlier: 4.980A pdb=" N GLU W 32 " --> pdb=" O GLY W 28 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N ALA W 33 " --> pdb=" O ASP W 29 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N ALA W 35 " --> pdb=" O ARG W 31 " (cutoff:3.500A) Processing helix chain 'W' and resid 56 through 71 Processing helix chain 'W' and resid 78 through 80 No H-bonds generated for 'chain 'W' and resid 78 through 80' Processing helix chain 'W' and resid 81 through 89 removed outlier: 3.697A pdb=" N ILE W 85 " --> pdb=" O ASP W 81 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N GLY W 88 " --> pdb=" O GLN W 84 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N PHE W 89 " --> pdb=" O ILE W 85 " (cutoff:3.500A) Processing helix chain 'W' and resid 116 through 123 removed outlier: 3.644A pdb=" N GLN W 122 " --> pdb=" O ARG W 118 " (cutoff:3.500A) Processing helix chain 'W' and resid 133 through 138 removed outlier: 4.315A pdb=" N ILE W 138 " --> pdb=" O ARG W 134 " (cutoff:3.500A) Processing helix chain 'W' and resid 139 through 142 removed outlier: 3.747A pdb=" N LEU W 142 " --> pdb=" O ALA W 139 " (cutoff:3.500A) No H-bonds generated for 'chain 'W' and resid 139 through 142' Processing helix chain 'W' and resid 176 through 190 removed outlier: 4.357A pdb=" N GLN W 180 " --> pdb=" O GLU W 176 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N ALA W 181 " --> pdb=" O ALA W 177 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ARG W 183 " --> pdb=" O LEU W 179 " (cutoff:3.500A) removed outlier: 4.260A pdb=" N ALA W 185 " --> pdb=" O ALA W 181 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ASN W 187 " --> pdb=" O ARG W 183 " (cutoff:3.500A) removed outlier: 4.704A pdb=" N ALA W 188 " --> pdb=" O LEU W 184 " (cutoff:3.500A) Processing helix chain 'W' and resid 219 through 222 removed outlier: 3.680A pdb=" N ALA W 222 " --> pdb=" O GLY W 219 " (cutoff:3.500A) No H-bonds generated for 'chain 'W' and resid 219 through 222' Processing helix chain 'W' and resid 223 through 240 removed outlier: 3.736A pdb=" N ALA W 227 " --> pdb=" O GLU W 223 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N TYR W 236 " --> pdb=" O SER W 232 " (cutoff:3.500A) Processing helix chain 'W' and resid 250 through 257 removed outlier: 3.642A pdb=" N ALA W 254 " --> pdb=" O SER W 250 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR W 255 " --> pdb=" O ALA W 251 " (cutoff:3.500A) Processing helix chain 'V' and resid 4 through 8 removed outlier: 3.611A pdb=" N GLN V 7 " --> pdb=" O ASP V 4 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N LEU V 8 " --> pdb=" O LEU V 5 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 4 through 8' Processing helix chain 'V' and resid 19 through 35 removed outlier: 4.281A pdb=" N GLU V 25 " --> pdb=" O THR V 21 " (cutoff:3.500A) removed outlier: 4.980A pdb=" N GLU V 32 " --> pdb=" O GLY V 28 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N ALA V 33 " --> pdb=" O ASP V 29 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N ALA V 35 " --> pdb=" O ARG V 31 " (cutoff:3.500A) Processing helix chain 'V' and resid 56 through 71 Processing helix chain 'V' and resid 78 through 80 No H-bonds generated for 'chain 'V' and resid 78 through 80' Processing helix chain 'V' and resid 81 through 89 removed outlier: 3.696A pdb=" N ILE V 85 " --> pdb=" O ASP V 81 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N GLY V 88 " --> pdb=" O GLN V 84 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N PHE V 89 " --> pdb=" O ILE V 85 " (cutoff:3.500A) Processing helix chain 'V' and resid 116 through 123 removed outlier: 3.645A pdb=" N GLN V 122 " --> pdb=" O ARG V 118 " (cutoff:3.500A) Processing helix chain 'V' and resid 133 through 138 removed outlier: 4.315A pdb=" N ILE V 138 " --> pdb=" O ARG V 134 " (cutoff:3.500A) Processing helix chain 'V' and resid 139 through 142 removed outlier: 3.747A pdb=" N LEU V 142 " --> pdb=" O ALA V 139 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 139 through 142' Processing helix chain 'V' and resid 176 through 190 removed outlier: 4.358A pdb=" N GLN V 180 " --> pdb=" O GLU V 176 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N ALA V 181 " --> pdb=" O ALA V 177 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ARG V 183 " --> pdb=" O LEU V 179 " (cutoff:3.500A) removed outlier: 4.259A pdb=" N ALA V 185 " --> pdb=" O ALA V 181 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ASN V 187 " --> pdb=" O ARG V 183 " (cutoff:3.500A) removed outlier: 4.705A pdb=" N ALA V 188 " --> pdb=" O LEU V 184 " (cutoff:3.500A) Processing helix chain 'V' and resid 219 through 222 removed outlier: 3.680A pdb=" N ALA V 222 " --> pdb=" O GLY V 219 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 219 through 222' Processing helix chain 'V' and resid 223 through 240 removed outlier: 3.737A pdb=" N ALA V 227 " --> pdb=" O GLU V 223 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N TYR V 236 " --> pdb=" O SER V 232 " (cutoff:3.500A) Processing helix chain 'V' and resid 250 through 257 removed outlier: 3.642A pdb=" N ALA V 254 " --> pdb=" O SER V 250 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N THR V 255 " --> pdb=" O ALA V 251 " (cutoff:3.500A) Processing helix chain 'U' and resid 4 through 8 removed outlier: 3.611A pdb=" N GLN U 7 " --> pdb=" O ASP U 4 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N LEU U 8 " --> pdb=" O LEU U 5 " (cutoff:3.500A) No H-bonds generated for 'chain 'U' and resid 4 through 8' Processing helix chain 'U' and resid 19 through 35 removed outlier: 4.282A pdb=" N GLU U 25 " --> pdb=" O THR U 21 " (cutoff:3.500A) removed outlier: 4.980A pdb=" N GLU U 32 " --> pdb=" O GLY U 28 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N ALA U 33 " --> pdb=" O ASP U 29 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N ALA U 35 " --> pdb=" O ARG U 31 " (cutoff:3.500A) Processing helix chain 'U' and resid 56 through 71 Processing helix chain 'U' and resid 78 through 80 No H-bonds generated for 'chain 'U' and resid 78 through 80' Processing helix chain 'U' and resid 81 through 89 removed outlier: 3.696A pdb=" N ILE U 85 " --> pdb=" O ASP U 81 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N GLY U 88 " --> pdb=" O GLN U 84 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N PHE U 89 " --> pdb=" O ILE U 85 " (cutoff:3.500A) Processing helix chain 'U' and resid 116 through 123 removed outlier: 3.644A pdb=" N GLN U 122 " --> pdb=" O ARG U 118 " (cutoff:3.500A) Processing helix chain 'U' and resid 133 through 138 removed outlier: 4.315A pdb=" N ILE U 138 " --> pdb=" O ARG U 134 " (cutoff:3.500A) Processing helix chain 'U' and resid 139 through 142 removed outlier: 3.747A pdb=" N LEU U 142 " --> pdb=" O ALA U 139 " (cutoff:3.500A) No H-bonds generated for 'chain 'U' and resid 139 through 142' Processing helix chain 'U' and resid 176 through 190 removed outlier: 4.357A pdb=" N GLN U 180 " --> pdb=" O GLU U 176 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N ALA U 181 " --> pdb=" O ALA U 177 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N ARG U 183 " --> pdb=" O LEU U 179 " (cutoff:3.500A) removed outlier: 4.260A pdb=" N ALA U 185 " --> pdb=" O ALA U 181 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N ASN U 187 " --> pdb=" O ARG U 183 " (cutoff:3.500A) removed outlier: 4.704A pdb=" N ALA U 188 " --> pdb=" O LEU U 184 " (cutoff:3.500A) Processing helix chain 'U' and resid 219 through 222 removed outlier: 3.679A pdb=" N ALA U 222 " --> pdb=" O GLY U 219 " (cutoff:3.500A) No H-bonds generated for 'chain 'U' and resid 219 through 222' Processing helix chain 'U' and resid 223 through 240 removed outlier: 3.736A pdb=" N ALA U 227 " --> pdb=" O GLU U 223 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N TYR U 236 " --> pdb=" O SER U 232 " (cutoff:3.500A) Processing helix chain 'U' and resid 250 through 257 removed outlier: 3.641A pdb=" N ALA U 254 " --> pdb=" O SER U 250 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N THR U 255 " --> pdb=" O ALA U 251 " (cutoff:3.500A) Processing helix chain 'm' and resid 51 through 60 removed outlier: 3.563A pdb=" N ALA m 57 " --> pdb=" O LYS m 53 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N ALA m 58 " --> pdb=" O ASP m 54 " (cutoff:3.500A) Processing helix chain 'm' and resid 65 through 74 Processing helix chain 'm' and resid 90 through 100 removed outlier: 3.791A pdb=" N ALA m 95 " --> pdb=" O PRO m 91 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N SER m 96 " --> pdb=" O GLU m 92 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N ALA m 97 " --> pdb=" O ALA m 93 " (cutoff:3.500A) Processing helix chain 'm' and resid 110 through 115 Processing helix chain 'm' and resid 116 through 122 removed outlier: 3.613A pdb=" N PHE m 121 " --> pdb=" O GLY m 117 " (cutoff:3.500A) Processing helix chain 'm' and resid 136 through 150 removed outlier: 3.605A pdb=" N LYS m 149 " --> pdb=" O GLY m 145 " (cutoff:3.500A) Processing helix chain 'm' and resid 163 through 171 removed outlier: 3.583A pdb=" N TYR m 169 " --> pdb=" O ALA m 165 " (cutoff:3.500A) Processing helix chain 'm' and resid 201 through 215 removed outlier: 3.541A pdb=" N LEU m 207 " --> pdb=" O TYR m 203 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N ASP m 212 " --> pdb=" O PHE m 208 " (cutoff:3.500A) removed outlier: 3.978A pdb=" N ALA m 213 " --> pdb=" O ALA m 209 " (cutoff:3.500A) Processing helix chain 'm' and resid 247 through 252 Processing helix chain 'm' and resid 280 through 291 Processing helix chain 'm' and resid 291 through 298 Processing helix chain 'm' and resid 307 through 327 removed outlier: 3.859A pdb=" N ASP m 313 " --> pdb=" O THR m 309 " (cutoff:3.500A) removed outlier: 4.037A pdb=" N GLY m 317 " --> pdb=" O ASP m 313 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N PHE m 321 " --> pdb=" O GLY m 317 " (cutoff:3.500A) Processing helix chain 'm' and resid 344 through 349 Processing helix chain 'n' and resid 51 through 60 removed outlier: 3.563A pdb=" N ALA n 57 " --> pdb=" O LYS n 53 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N ALA n 58 " --> pdb=" O ASP n 54 " (cutoff:3.500A) Processing helix chain 'n' and resid 65 through 74 Processing helix chain 'n' and resid 90 through 100 removed outlier: 3.790A pdb=" N ALA n 95 " --> pdb=" O PRO n 91 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N SER n 96 " --> pdb=" O GLU n 92 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N ALA n 97 " --> pdb=" O ALA n 93 " (cutoff:3.500A) Processing helix chain 'n' and resid 110 through 115 Processing helix chain 'n' and resid 116 through 122 removed outlier: 3.613A pdb=" N PHE n 121 " --> pdb=" O GLY n 117 " (cutoff:3.500A) Processing helix chain 'n' and resid 136 through 150 removed outlier: 3.604A pdb=" N LYS n 149 " --> pdb=" O GLY n 145 " (cutoff:3.500A) Processing helix chain 'n' and resid 163 through 171 removed outlier: 3.584A pdb=" N TYR n 169 " --> pdb=" O ALA n 165 " (cutoff:3.500A) Processing helix chain 'n' and resid 201 through 215 removed outlier: 3.540A pdb=" N LEU n 207 " --> pdb=" O TYR n 203 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N ASP n 212 " --> pdb=" O PHE n 208 " (cutoff:3.500A) removed outlier: 3.978A pdb=" N ALA n 213 " --> pdb=" O ALA n 209 " (cutoff:3.500A) Processing helix chain 'n' and resid 247 through 252 Processing helix chain 'n' and resid 280 through 291 Processing helix chain 'n' and resid 291 through 298 Processing helix chain 'n' and resid 307 through 327 removed outlier: 3.859A pdb=" N ASP n 313 " --> pdb=" O THR n 309 " (cutoff:3.500A) removed outlier: 4.037A pdb=" N GLY n 317 " --> pdb=" O ASP n 313 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N PHE n 321 " --> pdb=" O GLY n 317 " (cutoff:3.500A) Processing helix chain 'n' and resid 344 through 349 Processing helix chain 's' and resid 51 through 60 Processing helix chain 's' and resid 65 through 74 Processing helix chain 's' and resid 90 through 100 removed outlier: 3.818A pdb=" N ALA s 95 " --> pdb=" O PRO s 91 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N SER s 96 " --> pdb=" O GLU s 92 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N ALA s 97 " --> pdb=" O ALA s 93 " (cutoff:3.500A) Processing helix chain 's' and resid 110 through 115 Processing helix chain 's' and resid 116 through 122 removed outlier: 3.505A pdb=" N ARG s 120 " --> pdb=" O ASP s 116 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N PHE s 121 " --> pdb=" O GLY s 117 " (cutoff:3.500A) Processing helix chain 's' and resid 132 through 135 removed outlier: 3.539A pdb=" N ALA s 135 " --> pdb=" O GLY s 132 " (cutoff:3.500A) No H-bonds generated for 'chain 's' and resid 132 through 135' Processing helix chain 's' and resid 136 through 151 removed outlier: 3.527A pdb=" N GLU s 148 " --> pdb=" O ASP s 144 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N LYS s 149 " --> pdb=" O GLY s 145 " (cutoff:3.500A) Processing helix chain 's' and resid 162 through 171 removed outlier: 3.567A pdb=" N TYR s 169 " --> pdb=" O ALA s 165 " (cutoff:3.500A) Processing helix chain 's' and resid 201 through 215 removed outlier: 3.779A pdb=" N LEU s 207 " --> pdb=" O TYR s 203 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ASP s 212 " --> pdb=" O PHE s 208 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N ALA s 213 " --> pdb=" O ALA s 209 " (cutoff:3.500A) Processing helix chain 's' and resid 245 through 252 removed outlier: 3.572A pdb=" N LEU s 250 " --> pdb=" O ARG s 246 " (cutoff:3.500A) Processing helix chain 's' and resid 276 through 279 removed outlier: 3.858A pdb=" N ALA s 279 " --> pdb=" O SER s 276 " (cutoff:3.500A) No H-bonds generated for 'chain 's' and resid 276 through 279' Processing helix chain 's' and resid 280 through 298 removed outlier: 3.567A pdb=" N ASP s 292 " --> pdb=" O ASP s 288 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N ILE s 294 " --> pdb=" O VAL s 290 " (cutoff:3.500A) Processing helix chain 's' and resid 299 through 302 removed outlier: 4.076A pdb=" N VAL s 302 " --> pdb=" O LYS s 299 " (cutoff:3.500A) No H-bonds generated for 'chain 's' and resid 299 through 302' Processing helix chain 's' and resid 307 through 327 removed outlier: 3.689A pdb=" N ASP s 313 " --> pdb=" O THR s 309 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N GLY s 317 " --> pdb=" O ASP s 313 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N PHE s 321 " --> pdb=" O GLY s 317 " (cutoff:3.500A) Processing helix chain 's' and resid 344 through 349 Processing helix chain 's' and resid 376 through 382 removed outlier: 3.586A pdb=" N LEU s 379 " --> pdb=" O ASP s 376 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N THR s 380 " --> pdb=" O GLN s 377 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N VAL s 382 " --> pdb=" O LEU s 379 " (cutoff:3.500A) Processing helix chain 'r' and resid 51 through 60 removed outlier: 3.563A pdb=" N ALA r 57 " --> pdb=" O LYS r 53 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N ALA r 58 " --> pdb=" O ASP r 54 " (cutoff:3.500A) Processing helix chain 'r' and resid 65 through 74 Processing helix chain 'r' and resid 90 through 100 removed outlier: 3.790A pdb=" N ALA r 95 " --> pdb=" O PRO r 91 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N SER r 96 " --> pdb=" O GLU r 92 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N ALA r 97 " --> pdb=" O ALA r 93 " (cutoff:3.500A) Processing helix chain 'r' and resid 110 through 115 Processing helix chain 'r' and resid 116 through 122 removed outlier: 3.614A pdb=" N PHE r 121 " --> pdb=" O GLY r 117 " (cutoff:3.500A) Processing helix chain 'r' and resid 136 through 150 removed outlier: 3.605A pdb=" N LYS r 149 " --> pdb=" O GLY r 145 " (cutoff:3.500A) Processing helix chain 'r' and resid 163 through 171 removed outlier: 3.584A pdb=" N TYR r 169 " --> pdb=" O ALA r 165 " (cutoff:3.500A) Processing helix chain 'r' and resid 201 through 215 removed outlier: 3.541A pdb=" N LEU r 207 " --> pdb=" O TYR r 203 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N ASP r 212 " --> pdb=" O PHE r 208 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N ALA r 213 " --> pdb=" O ALA r 209 " (cutoff:3.500A) Processing helix chain 'r' and resid 247 through 252 Processing helix chain 'r' and resid 280 through 291 Processing helix chain 'r' and resid 291 through 298 Processing helix chain 'r' and resid 307 through 327 removed outlier: 3.858A pdb=" N ASP r 313 " --> pdb=" O THR r 309 " (cutoff:3.500A) removed outlier: 4.038A pdb=" N GLY r 317 " --> pdb=" O ASP r 313 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N PHE r 321 " --> pdb=" O GLY r 317 " (cutoff:3.500A) Processing helix chain 'r' and resid 344 through 349 Processing helix chain 'q' and resid 51 through 60 removed outlier: 3.563A pdb=" N ALA q 57 " --> pdb=" O LYS q 53 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N ALA q 58 " --> pdb=" O ASP q 54 " (cutoff:3.500A) Processing helix chain 'q' and resid 65 through 74 Processing helix chain 'q' and resid 90 through 100 removed outlier: 3.790A pdb=" N ALA q 95 " --> pdb=" O PRO q 91 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N SER q 96 " --> pdb=" O GLU q 92 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N ALA q 97 " --> pdb=" O ALA q 93 " (cutoff:3.500A) Processing helix chain 'q' and resid 110 through 115 Processing helix chain 'q' and resid 116 through 122 removed outlier: 3.613A pdb=" N PHE q 121 " --> pdb=" O GLY q 117 " (cutoff:3.500A) Processing helix chain 'q' and resid 136 through 150 removed outlier: 3.604A pdb=" N LYS q 149 " --> pdb=" O GLY q 145 " (cutoff:3.500A) Processing helix chain 'q' and resid 163 through 171 removed outlier: 3.583A pdb=" N TYR q 169 " --> pdb=" O ALA q 165 " (cutoff:3.500A) Processing helix chain 'q' and resid 201 through 215 removed outlier: 3.541A pdb=" N LEU q 207 " --> pdb=" O TYR q 203 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N ASP q 212 " --> pdb=" O PHE q 208 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N ALA q 213 " --> pdb=" O ALA q 209 " (cutoff:3.500A) Processing helix chain 'q' and resid 247 through 252 Processing helix chain 'q' and resid 280 through 291 Processing helix chain 'q' and resid 291 through 298 Processing helix chain 'q' and resid 307 through 327 removed outlier: 3.859A pdb=" N ASP q 313 " --> pdb=" O THR q 309 " (cutoff:3.500A) removed outlier: 4.037A pdb=" N GLY q 317 " --> pdb=" O ASP q 313 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N PHE q 321 " --> pdb=" O GLY q 317 " (cutoff:3.500A) Processing helix chain 'q' and resid 344 through 349 Processing helix chain 'p' and resid 51 through 60 removed outlier: 3.563A pdb=" N ALA p 57 " --> pdb=" O LYS p 53 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N ALA p 58 " --> pdb=" O ASP p 54 " (cutoff:3.500A) Processing helix chain 'p' and resid 65 through 74 Processing helix chain 'p' and resid 90 through 100 removed outlier: 3.791A pdb=" N ALA p 95 " --> pdb=" O PRO p 91 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N SER p 96 " --> pdb=" O GLU p 92 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N ALA p 97 " --> pdb=" O ALA p 93 " (cutoff:3.500A) Processing helix chain 'p' and resid 110 through 115 Processing helix chain 'p' and resid 116 through 122 removed outlier: 3.614A pdb=" N PHE p 121 " --> pdb=" O GLY p 117 " (cutoff:3.500A) Processing helix chain 'p' and resid 136 through 150 removed outlier: 3.604A pdb=" N LYS p 149 " --> pdb=" O GLY p 145 " (cutoff:3.500A) Processing helix chain 'p' and resid 163 through 171 removed outlier: 3.584A pdb=" N TYR p 169 " --> pdb=" O ALA p 165 " (cutoff:3.500A) Processing helix chain 'p' and resid 201 through 215 removed outlier: 3.541A pdb=" N LEU p 207 " --> pdb=" O TYR p 203 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N ASP p 212 " --> pdb=" O PHE p 208 " (cutoff:3.500A) removed outlier: 3.978A pdb=" N ALA p 213 " --> pdb=" O ALA p 209 " (cutoff:3.500A) Processing helix chain 'p' and resid 247 through 252 Processing helix chain 'p' and resid 280 through 291 Processing helix chain 'p' and resid 291 through 298 Processing helix chain 'p' and resid 307 through 327 removed outlier: 3.859A pdb=" N ASP p 313 " --> pdb=" O THR p 309 " (cutoff:3.500A) removed outlier: 4.038A pdb=" N GLY p 317 " --> pdb=" O ASP p 313 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N PHE p 321 " --> pdb=" O GLY p 317 " (cutoff:3.500A) Processing helix chain 'p' and resid 344 through 349 Processing helix chain 'o' and resid 51 through 60 removed outlier: 3.562A pdb=" N ALA o 57 " --> pdb=" O LYS o 53 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N ALA o 58 " --> pdb=" O ASP o 54 " (cutoff:3.500A) Processing helix chain 'o' and resid 65 through 74 Processing helix chain 'o' and resid 90 through 100 removed outlier: 3.790A pdb=" N ALA o 95 " --> pdb=" O PRO o 91 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N SER o 96 " --> pdb=" O GLU o 92 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N ALA o 97 " --> pdb=" O ALA o 93 " (cutoff:3.500A) Processing helix chain 'o' and resid 110 through 115 Processing helix chain 'o' and resid 116 through 122 removed outlier: 3.614A pdb=" N PHE o 121 " --> pdb=" O GLY o 117 " (cutoff:3.500A) Processing helix chain 'o' and resid 136 through 150 removed outlier: 3.605A pdb=" N LYS o 149 " --> pdb=" O GLY o 145 " (cutoff:3.500A) Processing helix chain 'o' and resid 163 through 171 removed outlier: 3.584A pdb=" N TYR o 169 " --> pdb=" O ALA o 165 " (cutoff:3.500A) Processing helix chain 'o' and resid 201 through 215 removed outlier: 3.541A pdb=" N LEU o 207 " --> pdb=" O TYR o 203 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N ASP o 212 " --> pdb=" O PHE o 208 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N ALA o 213 " --> pdb=" O ALA o 209 " (cutoff:3.500A) Processing helix chain 'o' and resid 247 through 252 Processing helix chain 'o' and resid 280 through 291 Processing helix chain 'o' and resid 291 through 298 Processing helix chain 'o' and resid 307 through 327 removed outlier: 3.859A pdb=" N ASP o 313 " --> pdb=" O THR o 309 " (cutoff:3.500A) removed outlier: 4.037A pdb=" N GLY o 317 " --> pdb=" O ASP o 313 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N PHE o 321 " --> pdb=" O GLY o 317 " (cutoff:3.500A) Processing helix chain 'o' and resid 344 through 349 Processing helix chain 't' and resid 51 through 60 Processing helix chain 't' and resid 65 through 74 Processing helix chain 't' and resid 90 through 100 removed outlier: 3.818A pdb=" N ALA t 95 " --> pdb=" O PRO t 91 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N SER t 96 " --> pdb=" O GLU t 92 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N ALA t 97 " --> pdb=" O ALA t 93 " (cutoff:3.500A) Processing helix chain 't' and resid 110 through 115 Processing helix chain 't' and resid 116 through 122 removed outlier: 3.504A pdb=" N ARG t 120 " --> pdb=" O ASP t 116 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N PHE t 121 " --> pdb=" O GLY t 117 " (cutoff:3.500A) Processing helix chain 't' and resid 132 through 135 removed outlier: 3.538A pdb=" N ALA t 135 " --> pdb=" O GLY t 132 " (cutoff:3.500A) No H-bonds generated for 'chain 't' and resid 132 through 135' Processing helix chain 't' and resid 136 through 151 removed outlier: 3.527A pdb=" N GLU t 148 " --> pdb=" O ASP t 144 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N LYS t 149 " --> pdb=" O GLY t 145 " (cutoff:3.500A) Processing helix chain 't' and resid 162 through 171 removed outlier: 3.566A pdb=" N TYR t 169 " --> pdb=" O ALA t 165 " (cutoff:3.500A) Processing helix chain 't' and resid 201 through 215 removed outlier: 3.779A pdb=" N LEU t 207 " --> pdb=" O TYR t 203 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ASP t 212 " --> pdb=" O PHE t 208 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N ALA t 213 " --> pdb=" O ALA t 209 " (cutoff:3.500A) Processing helix chain 't' and resid 245 through 252 removed outlier: 3.571A pdb=" N LEU t 250 " --> pdb=" O ARG t 246 " (cutoff:3.500A) Processing helix chain 't' and resid 276 through 279 removed outlier: 3.858A pdb=" N ALA t 279 " --> pdb=" O SER t 276 " (cutoff:3.500A) No H-bonds generated for 'chain 't' and resid 276 through 279' Processing helix chain 't' and resid 280 through 298 removed outlier: 3.567A pdb=" N ASP t 292 " --> pdb=" O ASP t 288 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N ILE t 294 " --> pdb=" O VAL t 290 " (cutoff:3.500A) Processing helix chain 't' and resid 299 through 302 removed outlier: 4.076A pdb=" N VAL t 302 " --> pdb=" O LYS t 299 " (cutoff:3.500A) No H-bonds generated for 'chain 't' and resid 299 through 302' Processing helix chain 't' and resid 307 through 327 removed outlier: 3.688A pdb=" N ASP t 313 " --> pdb=" O THR t 309 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N GLY t 317 " --> pdb=" O ASP t 313 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N PHE t 321 " --> pdb=" O GLY t 317 " (cutoff:3.500A) Processing helix chain 't' and resid 344 through 349 Processing helix chain 't' and resid 376 through 382 removed outlier: 3.586A pdb=" N LEU t 379 " --> pdb=" O ASP t 376 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N THR t 380 " --> pdb=" O GLN t 377 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N VAL t 382 " --> pdb=" O LEU t 379 " (cutoff:3.500A) Processing helix chain 'x' and resid 51 through 60 Processing helix chain 'x' and resid 65 through 74 Processing helix chain 'x' and resid 90 through 100 removed outlier: 3.818A pdb=" N ALA x 95 " --> pdb=" O PRO x 91 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N SER x 96 " --> pdb=" O GLU x 92 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N ALA x 97 " --> pdb=" O ALA x 93 " (cutoff:3.500A) Processing helix chain 'x' and resid 110 through 115 Processing helix chain 'x' and resid 116 through 122 removed outlier: 3.505A pdb=" N ARG x 120 " --> pdb=" O ASP x 116 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N PHE x 121 " --> pdb=" O GLY x 117 " (cutoff:3.500A) Processing helix chain 'x' and resid 132 through 135 removed outlier: 3.538A pdb=" N ALA x 135 " --> pdb=" O GLY x 132 " (cutoff:3.500A) No H-bonds generated for 'chain 'x' and resid 132 through 135' Processing helix chain 'x' and resid 136 through 151 removed outlier: 3.527A pdb=" N GLU x 148 " --> pdb=" O ASP x 144 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N LYS x 149 " --> pdb=" O GLY x 145 " (cutoff:3.500A) Processing helix chain 'x' and resid 162 through 171 removed outlier: 3.566A pdb=" N TYR x 169 " --> pdb=" O ALA x 165 " (cutoff:3.500A) Processing helix chain 'x' and resid 201 through 215 removed outlier: 3.780A pdb=" N LEU x 207 " --> pdb=" O TYR x 203 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ASP x 212 " --> pdb=" O PHE x 208 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N ALA x 213 " --> pdb=" O ALA x 209 " (cutoff:3.500A) Processing helix chain 'x' and resid 245 through 252 removed outlier: 3.571A pdb=" N LEU x 250 " --> pdb=" O ARG x 246 " (cutoff:3.500A) Processing helix chain 'x' and resid 276 through 279 removed outlier: 3.857A pdb=" N ALA x 279 " --> pdb=" O SER x 276 " (cutoff:3.500A) No H-bonds generated for 'chain 'x' and resid 276 through 279' Processing helix chain 'x' and resid 280 through 298 removed outlier: 3.567A pdb=" N ASP x 292 " --> pdb=" O ASP x 288 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N ILE x 294 " --> pdb=" O VAL x 290 " (cutoff:3.500A) Processing helix chain 'x' and resid 299 through 302 removed outlier: 4.076A pdb=" N VAL x 302 " --> pdb=" O LYS x 299 " (cutoff:3.500A) No H-bonds generated for 'chain 'x' and resid 299 through 302' Processing helix chain 'x' and resid 307 through 327 removed outlier: 3.689A pdb=" N ASP x 313 " --> pdb=" O THR x 309 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N GLY x 317 " --> pdb=" O ASP x 313 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N PHE x 321 " --> pdb=" O GLY x 317 " (cutoff:3.500A) Processing helix chain 'x' and resid 344 through 349 Processing helix chain 'x' and resid 376 through 382 removed outlier: 3.586A pdb=" N LEU x 379 " --> pdb=" O ASP x 376 " (cutoff:3.500A) removed outlier: 4.502A pdb=" N THR x 380 " --> pdb=" O GLN x 377 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N VAL x 382 " --> pdb=" O LEU x 379 " (cutoff:3.500A) Processing helix chain 'w' and resid 51 through 60 Processing helix chain 'w' and resid 65 through 74 Processing helix chain 'w' and resid 90 through 100 removed outlier: 3.818A pdb=" N ALA w 95 " --> pdb=" O PRO w 91 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N SER w 96 " --> pdb=" O GLU w 92 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N ALA w 97 " --> pdb=" O ALA w 93 " (cutoff:3.500A) Processing helix chain 'w' and resid 110 through 115 Processing helix chain 'w' and resid 116 through 122 removed outlier: 3.505A pdb=" N ARG w 120 " --> pdb=" O ASP w 116 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N PHE w 121 " --> pdb=" O GLY w 117 " (cutoff:3.500A) Processing helix chain 'w' and resid 132 through 135 removed outlier: 3.538A pdb=" N ALA w 135 " --> pdb=" O GLY w 132 " (cutoff:3.500A) No H-bonds generated for 'chain 'w' and resid 132 through 135' Processing helix chain 'w' and resid 136 through 151 removed outlier: 3.527A pdb=" N GLU w 148 " --> pdb=" O ASP w 144 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N LYS w 149 " --> pdb=" O GLY w 145 " (cutoff:3.500A) Processing helix chain 'w' and resid 162 through 171 removed outlier: 3.565A pdb=" N TYR w 169 " --> pdb=" O ALA w 165 " (cutoff:3.500A) Processing helix chain 'w' and resid 201 through 215 removed outlier: 3.779A pdb=" N LEU w 207 " --> pdb=" O TYR w 203 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ASP w 212 " --> pdb=" O PHE w 208 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N ALA w 213 " --> pdb=" O ALA w 209 " (cutoff:3.500A) Processing helix chain 'w' and resid 245 through 252 removed outlier: 3.571A pdb=" N LEU w 250 " --> pdb=" O ARG w 246 " (cutoff:3.500A) Processing helix chain 'w' and resid 276 through 279 removed outlier: 3.858A pdb=" N ALA w 279 " --> pdb=" O SER w 276 " (cutoff:3.500A) No H-bonds generated for 'chain 'w' and resid 276 through 279' Processing helix chain 'w' and resid 280 through 298 removed outlier: 3.567A pdb=" N ASP w 292 " --> pdb=" O ASP w 288 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N ILE w 294 " --> pdb=" O VAL w 290 " (cutoff:3.500A) Processing helix chain 'w' and resid 299 through 302 removed outlier: 4.075A pdb=" N VAL w 302 " --> pdb=" O LYS w 299 " (cutoff:3.500A) No H-bonds generated for 'chain 'w' and resid 299 through 302' Processing helix chain 'w' and resid 307 through 327 removed outlier: 3.688A pdb=" N ASP w 313 " --> pdb=" O THR w 309 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N GLY w 317 " --> pdb=" O ASP w 313 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N PHE w 321 " --> pdb=" O GLY w 317 " (cutoff:3.500A) Processing helix chain 'w' and resid 344 through 349 Processing helix chain 'w' and resid 376 through 382 removed outlier: 3.585A pdb=" N LEU w 379 " --> pdb=" O ASP w 376 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N THR w 380 " --> pdb=" O GLN w 377 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N VAL w 382 " --> pdb=" O LEU w 379 " (cutoff:3.500A) Processing helix chain 'v' and resid 51 through 60 Processing helix chain 'v' and resid 65 through 74 Processing helix chain 'v' and resid 90 through 100 removed outlier: 3.818A pdb=" N ALA v 95 " --> pdb=" O PRO v 91 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N SER v 96 " --> pdb=" O GLU v 92 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N ALA v 97 " --> pdb=" O ALA v 93 " (cutoff:3.500A) Processing helix chain 'v' and resid 110 through 115 Processing helix chain 'v' and resid 116 through 122 removed outlier: 3.504A pdb=" N ARG v 120 " --> pdb=" O ASP v 116 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N PHE v 121 " --> pdb=" O GLY v 117 " (cutoff:3.500A) Processing helix chain 'v' and resid 132 through 135 removed outlier: 3.538A pdb=" N ALA v 135 " --> pdb=" O GLY v 132 " (cutoff:3.500A) No H-bonds generated for 'chain 'v' and resid 132 through 135' Processing helix chain 'v' and resid 136 through 151 removed outlier: 3.527A pdb=" N GLU v 148 " --> pdb=" O ASP v 144 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N LYS v 149 " --> pdb=" O GLY v 145 " (cutoff:3.500A) Processing helix chain 'v' and resid 162 through 171 removed outlier: 3.566A pdb=" N TYR v 169 " --> pdb=" O ALA v 165 " (cutoff:3.500A) Processing helix chain 'v' and resid 201 through 215 removed outlier: 3.778A pdb=" N LEU v 207 " --> pdb=" O TYR v 203 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ASP v 212 " --> pdb=" O PHE v 208 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N ALA v 213 " --> pdb=" O ALA v 209 " (cutoff:3.500A) Processing helix chain 'v' and resid 245 through 252 removed outlier: 3.571A pdb=" N LEU v 250 " --> pdb=" O ARG v 246 " (cutoff:3.500A) Processing helix chain 'v' and resid 276 through 279 removed outlier: 3.858A pdb=" N ALA v 279 " --> pdb=" O SER v 276 " (cutoff:3.500A) No H-bonds generated for 'chain 'v' and resid 276 through 279' Processing helix chain 'v' and resid 280 through 298 removed outlier: 3.567A pdb=" N ASP v 292 " --> pdb=" O ASP v 288 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N ILE v 294 " --> pdb=" O VAL v 290 " (cutoff:3.500A) Processing helix chain 'v' and resid 299 through 302 removed outlier: 4.076A pdb=" N VAL v 302 " --> pdb=" O LYS v 299 " (cutoff:3.500A) No H-bonds generated for 'chain 'v' and resid 299 through 302' Processing helix chain 'v' and resid 307 through 327 removed outlier: 3.690A pdb=" N ASP v 313 " --> pdb=" O THR v 309 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N GLY v 317 " --> pdb=" O ASP v 313 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N PHE v 321 " --> pdb=" O GLY v 317 " (cutoff:3.500A) Processing helix chain 'v' and resid 344 through 349 Processing helix chain 'v' and resid 376 through 382 removed outlier: 3.585A pdb=" N LEU v 379 " --> pdb=" O ASP v 376 " (cutoff:3.500A) removed outlier: 4.501A pdb=" N THR v 380 " --> pdb=" O GLN v 377 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N VAL v 382 " --> pdb=" O LEU v 379 " (cutoff:3.500A) Processing helix chain 'u' and resid 51 through 60 Processing helix chain 'u' and resid 65 through 74 Processing helix chain 'u' and resid 90 through 100 removed outlier: 3.818A pdb=" N ALA u 95 " --> pdb=" O PRO u 91 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N SER u 96 " --> pdb=" O GLU u 92 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N ALA u 97 " --> pdb=" O ALA u 93 " (cutoff:3.500A) Processing helix chain 'u' and resid 110 through 115 Processing helix chain 'u' and resid 116 through 122 removed outlier: 3.504A pdb=" N ARG u 120 " --> pdb=" O ASP u 116 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N PHE u 121 " --> pdb=" O GLY u 117 " (cutoff:3.500A) Processing helix chain 'u' and resid 132 through 135 removed outlier: 3.538A pdb=" N ALA u 135 " --> pdb=" O GLY u 132 " (cutoff:3.500A) No H-bonds generated for 'chain 'u' and resid 132 through 135' Processing helix chain 'u' and resid 136 through 151 removed outlier: 3.527A pdb=" N GLU u 148 " --> pdb=" O ASP u 144 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N LYS u 149 " --> pdb=" O GLY u 145 " (cutoff:3.500A) Processing helix chain 'u' and resid 162 through 171 removed outlier: 3.566A pdb=" N TYR u 169 " --> pdb=" O ALA u 165 " (cutoff:3.500A) Processing helix chain 'u' and resid 201 through 215 removed outlier: 3.779A pdb=" N LEU u 207 " --> pdb=" O TYR u 203 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ASP u 212 " --> pdb=" O PHE u 208 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N ALA u 213 " --> pdb=" O ALA u 209 " (cutoff:3.500A) Processing helix chain 'u' and resid 245 through 252 removed outlier: 3.571A pdb=" N LEU u 250 " --> pdb=" O ARG u 246 " (cutoff:3.500A) Processing helix chain 'u' and resid 276 through 279 removed outlier: 3.858A pdb=" N ALA u 279 " --> pdb=" O SER u 276 " (cutoff:3.500A) No H-bonds generated for 'chain 'u' and resid 276 through 279' Processing helix chain 'u' and resid 280 through 298 removed outlier: 3.567A pdb=" N ASP u 292 " --> pdb=" O ASP u 288 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N ILE u 294 " --> pdb=" O VAL u 290 " (cutoff:3.500A) Processing helix chain 'u' and resid 299 through 302 removed outlier: 4.076A pdb=" N VAL u 302 " --> pdb=" O LYS u 299 " (cutoff:3.500A) No H-bonds generated for 'chain 'u' and resid 299 through 302' Processing helix chain 'u' and resid 307 through 327 removed outlier: 3.689A pdb=" N ASP u 313 " --> pdb=" O THR u 309 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N GLY u 317 " --> pdb=" O ASP u 313 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N PHE u 321 " --> pdb=" O GLY u 317 " (cutoff:3.500A) Processing helix chain 'u' and resid 344 through 349 Processing helix chain 'u' and resid 376 through 382 removed outlier: 3.585A pdb=" N LEU u 379 " --> pdb=" O ASP u 376 " (cutoff:3.500A) removed outlier: 4.502A pdb=" N THR u 380 " --> pdb=" O GLN u 377 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N VAL u 382 " --> pdb=" O LEU u 379 " (cutoff:3.500A) Processing sheet with id=AA1, first strand: chain 'a' and resid 8 through 11 removed outlier: 6.165A pdb=" N VAL B 89 " --> pdb=" O ASN b 369 " (cutoff:3.500A) removed outlier: 7.603A pdb=" N ARG b 371 " --> pdb=" O VAL B 89 " (cutoff:3.500A) removed outlier: 7.623A pdb=" N LEU B 91 " --> pdb=" O ARG b 371 " (cutoff:3.500A) removed outlier: 8.709A pdb=" N GLU b 373 " --> pdb=" O LEU B 91 " (cutoff:3.500A) removed outlier: 7.733A pdb=" N LEU B 93 " --> pdb=" O GLU b 373 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N ALA B 83 " --> pdb=" O ASP B 90 " (cutoff:3.500A) removed outlier: 6.630A pdb=" N LEU B 92 " --> pdb=" O VAL B 81 " (cutoff:3.500A) removed outlier: 5.796A pdb=" N VAL B 81 " --> pdb=" O LEU B 92 " (cutoff:3.500A) removed outlier: 8.340A pdb=" N SER B 94 " --> pdb=" O VAL B 79 " (cutoff:3.500A) removed outlier: 6.466A pdb=" N VAL B 79 " --> pdb=" O SER B 94 " (cutoff:3.500A) Processing sheet with id=AA2, first strand: chain 'a' and resid 47 through 49 removed outlier: 6.405A pdb=" N ILE a 27 " --> pdb=" O VAL a 81 " (cutoff:3.500A) removed outlier: 6.633A pdb=" N LEU a 128 " --> pdb=" O ILE a 155 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N ALA a 154 " --> pdb=" O PHE a 179 " (cutoff:3.500A) Processing sheet with id=AA3, first strand: chain 'a' and resid 185 through 189 removed outlier: 3.597A pdb=" N ALA a 194 " --> pdb=" O ASP a 189 " (cutoff:3.500A) Processing sheet with id=AA4, first strand: chain 'a' and resid 257 through 258 Processing sheet with id=AA5, first strand: chain 'a' and resid 331 through 338 removed outlier: 4.299A pdb=" N ASN a 333 " --> pdb=" O THR a 360 " (cutoff:3.500A) removed outlier: 7.819A pdb=" N THR l 10 " --> pdb=" O PRO g 368 " (cutoff:3.500A) removed outlier: 6.442A pdb=" N PHE g 370 " --> pdb=" O THR l 10 " (cutoff:3.500A) Processing sheet with id=AA6, first strand: chain 'f' and resid 8 through 11 removed outlier: 7.432A pdb=" N THR f 10 " --> pdb=" O PRO a 368 " (cutoff:3.500A) removed outlier: 6.305A pdb=" N PHE a 370 " --> pdb=" O THR f 10 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ASN a 367 " --> pdb=" O VAL A 89 " (cutoff:3.500A) removed outlier: 6.906A pdb=" N LEU A 91 " --> pdb=" O ASN a 367 " (cutoff:3.500A) removed outlier: 5.981A pdb=" N ASN a 369 " --> pdb=" O LEU A 91 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N LEU A 93 " --> pdb=" O ASN a 369 " (cutoff:3.500A) removed outlier: 5.288A pdb=" N ARG a 371 " --> pdb=" O LEU A 93 " (cutoff:3.500A) removed outlier: 6.188A pdb=" N GLY A 95 " --> pdb=" O ARG a 371 " (cutoff:3.500A) removed outlier: 5.582A pdb=" N GLU a 373 " --> pdb=" O GLY A 95 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N ALA A 83 " --> pdb=" O ASP A 90 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N LEU A 92 " --> pdb=" O VAL A 81 " (cutoff:3.500A) removed outlier: 5.796A pdb=" N VAL A 81 " --> pdb=" O LEU A 92 " (cutoff:3.500A) removed outlier: 8.340A pdb=" N SER A 94 " --> pdb=" O VAL A 79 " (cutoff:3.500A) removed outlier: 6.465A pdb=" N VAL A 79 " --> pdb=" O SER A 94 " (cutoff:3.500A) Processing sheet with id=AA7, first strand: chain 'G' and resid 4 through 6 Processing sheet with id=AA8, first strand: chain 'M' and resid 150 through 153 removed outlier: 3.903A pdb=" N ALA M 151 " --> pdb=" O SER M 164 " (cutoff:3.500A) removed outlier: 6.071A pdb=" N VAL M 161 " --> pdb=" O ARG M 197 " (cutoff:3.500A) removed outlier: 6.905A pdb=" N THR M 199 " --> pdb=" O VAL M 161 " (cutoff:3.500A) removed outlier: 6.035A pdb=" N ILE M 163 " --> pdb=" O THR M 199 " (cutoff:3.500A) Processing sheet with id=AA9, first strand: chain 'M' and resid 207 through 208 Processing sheet with id=AB1, first strand: chain 'M' and resid 211 through 214 removed outlier: 4.119A pdb=" N ALA M 212 " --> pdb=" O ALA M 287 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N THR M 289 " --> pdb=" O ALA M 212 " (cutoff:3.500A) Processing sheet with id=AB2, first strand: chain 'B' and resid 3 through 4 Processing sheet with id=AB3, first strand: chain 'b' and resid 8 through 11 removed outlier: 6.765A pdb=" N THR b 8 " --> pdb=" O PHE c 370 " (cutoff:3.500A) removed outlier: 7.640A pdb=" N VAL c 372 " --> pdb=" O THR b 8 " (cutoff:3.500A) removed outlier: 6.651A pdb=" N THR b 10 " --> pdb=" O VAL c 372 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N GLU c 373 " --> pdb=" O LEU C 93 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N ALA C 83 " --> pdb=" O ASP C 90 " (cutoff:3.500A) removed outlier: 6.630A pdb=" N LEU C 92 " --> pdb=" O VAL C 81 " (cutoff:3.500A) removed outlier: 5.797A pdb=" N VAL C 81 " --> pdb=" O LEU C 92 " (cutoff:3.500A) removed outlier: 8.339A pdb=" N SER C 94 " --> pdb=" O VAL C 79 " (cutoff:3.500A) removed outlier: 6.465A pdb=" N VAL C 79 " --> pdb=" O SER C 94 " (cutoff:3.500A) Processing sheet with id=AB4, first strand: chain 'b' and resid 47 through 49 removed outlier: 6.405A pdb=" N ILE b 27 " --> pdb=" O VAL b 81 " (cutoff:3.500A) removed outlier: 6.632A pdb=" N LEU b 128 " --> pdb=" O ILE b 155 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N ALA b 154 " --> pdb=" O PHE b 179 " (cutoff:3.500A) Processing sheet with id=AB5, first strand: chain 'b' and resid 185 through 189 removed outlier: 3.596A pdb=" N ALA b 194 " --> pdb=" O ASP b 189 " (cutoff:3.500A) Processing sheet with id=AB6, first strand: chain 'b' and resid 257 through 258 Processing sheet with id=AB7, first strand: chain 'b' and resid 331 through 338 removed outlier: 4.299A pdb=" N ASN b 333 " --> pdb=" O THR b 360 " (cutoff:3.500A) Processing sheet with id=AB8, first strand: chain 'f' and resid 47 through 49 removed outlier: 6.405A pdb=" N ILE f 27 " --> pdb=" O VAL f 81 " (cutoff:3.500A) removed outlier: 6.633A pdb=" N LEU f 128 " --> pdb=" O ILE f 155 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N ALA f 154 " --> pdb=" O PHE f 179 " (cutoff:3.500A) Processing sheet with id=AB9, first strand: chain 'f' and resid 185 through 189 removed outlier: 3.596A pdb=" N ALA f 194 " --> pdb=" O ASP f 189 " (cutoff:3.500A) Processing sheet with id=AC1, first strand: chain 'f' and resid 257 through 258 Processing sheet with id=AC2, first strand: chain 'f' and resid 331 through 338 removed outlier: 4.299A pdb=" N ASN f 333 " --> pdb=" O THR f 360 " (cutoff:3.500A) removed outlier: 7.759A pdb=" N THR k 10 " --> pdb=" O PRO l 368 " (cutoff:3.500A) removed outlier: 6.382A pdb=" N PHE l 370 " --> pdb=" O THR k 10 " (cutoff:3.500A) Processing sheet with id=AC3, first strand: chain 'e' and resid 8 through 11 removed outlier: 7.459A pdb=" N THR e 10 " --> pdb=" O PRO f 368 " (cutoff:3.500A) removed outlier: 6.332A pdb=" N PHE f 370 " --> pdb=" O THR e 10 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N GLU f 373 " --> pdb=" O LEU F 93 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N GLY F 95 " --> pdb=" O GLU f 373 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N ALA F 83 " --> pdb=" O ASP F 90 " (cutoff:3.500A) removed outlier: 6.630A pdb=" N LEU F 92 " --> pdb=" O VAL F 81 " (cutoff:3.500A) removed outlier: 5.796A pdb=" N VAL F 81 " --> pdb=" O LEU F 92 " (cutoff:3.500A) removed outlier: 8.340A pdb=" N SER F 94 " --> pdb=" O VAL F 79 " (cutoff:3.500A) removed outlier: 6.466A pdb=" N VAL F 79 " --> pdb=" O SER F 94 " (cutoff:3.500A) Processing sheet with id=AC4, first strand: chain 'e' and resid 47 through 49 removed outlier: 6.405A pdb=" N ILE e 27 " --> pdb=" O VAL e 81 " (cutoff:3.500A) removed outlier: 6.633A pdb=" N LEU e 128 " --> pdb=" O ILE e 155 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N ALA e 154 " --> pdb=" O PHE e 179 " (cutoff:3.500A) Processing sheet with id=AC5, first strand: chain 'e' and resid 185 through 189 removed outlier: 3.596A pdb=" N ALA e 194 " --> pdb=" O ASP e 189 " (cutoff:3.500A) Processing sheet with id=AC6, first strand: chain 'e' and resid 257 through 258 Processing sheet with id=AC7, first strand: chain 'e' and resid 331 through 338 removed outlier: 4.298A pdb=" N ASN e 333 " --> pdb=" O THR e 360 " (cutoff:3.500A) removed outlier: 7.783A pdb=" N THR j 10 " --> pdb=" O PRO k 368 " (cutoff:3.500A) removed outlier: 6.398A pdb=" N PHE k 370 " --> pdb=" O THR j 10 " (cutoff:3.500A) Processing sheet with id=AC8, first strand: chain 'd' and resid 8 through 11 removed outlier: 7.449A pdb=" N THR d 10 " --> pdb=" O PRO e 368 " (cutoff:3.500A) removed outlier: 6.327A pdb=" N PHE e 370 " --> pdb=" O THR d 10 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N GLU e 373 " --> pdb=" O LEU E 93 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N GLY E 95 " --> pdb=" O GLU e 373 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N ALA E 83 " --> pdb=" O ASP E 90 " (cutoff:3.500A) removed outlier: 6.630A pdb=" N LEU E 92 " --> pdb=" O VAL E 81 " (cutoff:3.500A) removed outlier: 5.796A pdb=" N VAL E 81 " --> pdb=" O LEU E 92 " (cutoff:3.500A) removed outlier: 8.340A pdb=" N SER E 94 " --> pdb=" O VAL E 79 " (cutoff:3.500A) removed outlier: 6.465A pdb=" N VAL E 79 " --> pdb=" O SER E 94 " (cutoff:3.500A) Processing sheet with id=AC9, first strand: chain 'd' and resid 47 through 49 removed outlier: 6.405A pdb=" N ILE d 27 " --> pdb=" O VAL d 81 " (cutoff:3.500A) removed outlier: 6.632A pdb=" N LEU d 128 " --> pdb=" O ILE d 155 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N ALA d 154 " --> pdb=" O PHE d 179 " (cutoff:3.500A) Processing sheet with id=AD1, first strand: chain 'd' and resid 185 through 189 removed outlier: 3.597A pdb=" N ALA d 194 " --> pdb=" O ASP d 189 " (cutoff:3.500A) Processing sheet with id=AD2, first strand: chain 'd' and resid 257 through 258 Processing sheet with id=AD3, first strand: chain 'd' and resid 331 through 338 removed outlier: 4.299A pdb=" N ASN d 333 " --> pdb=" O THR d 360 " (cutoff:3.500A) removed outlier: 5.916A pdb=" N VAL d 353 " --> pdb=" O ASN j 369 " (cutoff:3.500A) removed outlier: 7.489A pdb=" N ARG j 371 " --> pdb=" O VAL d 353 " (cutoff:3.500A) removed outlier: 6.491A pdb=" N TRP d 355 " --> pdb=" O ARG j 371 " (cutoff:3.500A) removed outlier: 7.670A pdb=" N GLU j 373 " --> pdb=" O TRP d 355 " (cutoff:3.500A) removed outlier: 6.272A pdb=" N ILE d 357 " --> pdb=" O GLU j 373 " (cutoff:3.500A) removed outlier: 7.811A pdb=" N THR i 10 " --> pdb=" O PRO j 368 " (cutoff:3.500A) removed outlier: 6.439A pdb=" N PHE j 370 " --> pdb=" O THR i 10 " (cutoff:3.500A) Processing sheet with id=AD4, first strand: chain 'c' and resid 8 through 11 removed outlier: 7.594A pdb=" N THR c 10 " --> pdb=" O PRO d 368 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N PHE d 370 " --> pdb=" O THR c 10 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N GLU d 373 " --> pdb=" O LEU D 93 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N GLY D 95 " --> pdb=" O GLU d 373 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N ALA D 83 " --> pdb=" O ASP D 90 " (cutoff:3.500A) removed outlier: 6.630A pdb=" N LEU D 92 " --> pdb=" O VAL D 81 " (cutoff:3.500A) removed outlier: 5.797A pdb=" N VAL D 81 " --> pdb=" O LEU D 92 " (cutoff:3.500A) removed outlier: 8.340A pdb=" N SER D 94 " --> pdb=" O VAL D 79 " (cutoff:3.500A) removed outlier: 6.465A pdb=" N VAL D 79 " --> pdb=" O SER D 94 " (cutoff:3.500A) Processing sheet with id=AD5, first strand: chain 'c' and resid 47 through 49 removed outlier: 6.405A pdb=" N ILE c 27 " --> pdb=" O VAL c 81 " (cutoff:3.500A) removed outlier: 6.633A pdb=" N LEU c 128 " --> pdb=" O ILE c 155 " (cutoff:3.500A) removed outlier: 6.568A pdb=" N ALA c 154 " --> pdb=" O PHE c 179 " (cutoff:3.500A) Processing sheet with id=AD6, first strand: chain 'c' and resid 185 through 189 removed outlier: 3.596A pdb=" N ALA c 194 " --> pdb=" O ASP c 189 " (cutoff:3.500A) Processing sheet with id=AD7, first strand: chain 'c' and resid 257 through 258 Processing sheet with id=AD8, first strand: chain 'c' and resid 331 through 338 removed outlier: 4.299A pdb=" N ASN c 333 " --> pdb=" O THR c 360 " (cutoff:3.500A) removed outlier: 5.965A pdb=" N VAL c 353 " --> pdb=" O ASN i 369 " (cutoff:3.500A) removed outlier: 7.633A pdb=" N ARG i 371 " --> pdb=" O VAL c 353 " (cutoff:3.500A) removed outlier: 6.690A pdb=" N TRP c 355 " --> pdb=" O ARG i 371 " (cutoff:3.500A) removed outlier: 7.857A pdb=" N GLU i 373 " --> pdb=" O TRP c 355 " (cutoff:3.500A) removed outlier: 6.528A pdb=" N ILE c 357 " --> pdb=" O GLU i 373 " (cutoff:3.500A) removed outlier: 6.433A pdb=" N THR h 8 " --> pdb=" O PHE i 370 " (cutoff:3.500A) removed outlier: 7.521A pdb=" N VAL i 372 " --> pdb=" O THR h 8 " (cutoff:3.500A) removed outlier: 6.191A pdb=" N THR h 10 " --> pdb=" O VAL i 372 " (cutoff:3.500A) removed outlier: 7.990A pdb=" N VAL i 374 " --> pdb=" O THR h 10 " (cutoff:3.500A) Processing sheet with id=AD9, first strand: chain 'A' and resid 3 through 4 Processing sheet with id=AE1, first strand: chain 'F' and resid 3 through 4 Processing sheet with id=AE2, first strand: chain 'E' and resid 3 through 4 Processing sheet with id=AE3, first strand: chain 'D' and resid 3 through 4 Processing sheet with id=AE4, first strand: chain 'C' and resid 3 through 4 Processing sheet with id=AE5, first strand: chain 'N' and resid 150 through 153 removed outlier: 3.903A pdb=" N ALA N 151 " --> pdb=" O SER N 164 " (cutoff:3.500A) removed outlier: 6.071A pdb=" N VAL N 161 " --> pdb=" O ARG N 197 " (cutoff:3.500A) removed outlier: 6.905A pdb=" N THR N 199 " --> pdb=" O VAL N 161 " (cutoff:3.500A) removed outlier: 6.035A pdb=" N ILE N 163 " --> pdb=" O THR N 199 " (cutoff:3.500A) Processing sheet with id=AE6, first strand: chain 'N' and resid 207 through 208 Processing sheet with id=AE7, first strand: chain 'N' and resid 211 through 214 removed outlier: 4.119A pdb=" N ALA N 212 " --> pdb=" O ALA N 287 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N THR N 289 " --> pdb=" O ALA N 212 " (cutoff:3.500A) Processing sheet with id=AE8, first strand: chain 'R' and resid 150 through 153 removed outlier: 3.903A pdb=" N ALA R 151 " --> pdb=" O SER R 164 " (cutoff:3.500A) removed outlier: 6.070A pdb=" N VAL R 161 " --> pdb=" O ARG R 197 " (cutoff:3.500A) removed outlier: 6.905A pdb=" N THR R 199 " --> pdb=" O VAL R 161 " (cutoff:3.500A) removed outlier: 6.035A pdb=" N ILE R 163 " --> pdb=" O THR R 199 " (cutoff:3.500A) Processing sheet with id=AE9, first strand: chain 'R' and resid 207 through 208 Processing sheet with id=AF1, first strand: chain 'R' and resid 211 through 214 removed outlier: 4.120A pdb=" N ALA R 212 " --> pdb=" O ALA R 287 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N THR R 289 " --> pdb=" O ALA R 212 " (cutoff:3.500A) Processing sheet with id=AF2, first strand: chain 'Q' and resid 150 through 153 removed outlier: 3.904A pdb=" N ALA Q 151 " --> pdb=" O SER Q 164 " (cutoff:3.500A) removed outlier: 6.071A pdb=" N VAL Q 161 " --> pdb=" O ARG Q 197 " (cutoff:3.500A) removed outlier: 6.905A pdb=" N THR Q 199 " --> pdb=" O VAL Q 161 " (cutoff:3.500A) removed outlier: 6.035A pdb=" N ILE Q 163 " --> pdb=" O THR Q 199 " (cutoff:3.500A) Processing sheet with id=AF3, first strand: chain 'Q' and resid 207 through 208 Processing sheet with id=AF4, first strand: chain 'Q' and resid 211 through 214 removed outlier: 4.120A pdb=" N ALA Q 212 " --> pdb=" O ALA Q 287 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N THR Q 289 " --> pdb=" O ALA Q 212 " (cutoff:3.500A) Processing sheet with id=AF5, first strand: chain 'P' and resid 150 through 153 removed outlier: 3.903A pdb=" N ALA P 151 " --> pdb=" O SER P 164 " (cutoff:3.500A) removed outlier: 6.071A pdb=" N VAL P 161 " --> pdb=" O ARG P 197 " (cutoff:3.500A) removed outlier: 6.904A pdb=" N THR P 199 " --> pdb=" O VAL P 161 " (cutoff:3.500A) removed outlier: 6.035A pdb=" N ILE P 163 " --> pdb=" O THR P 199 " (cutoff:3.500A) Processing sheet with id=AF6, first strand: chain 'P' and resid 207 through 208 Processing sheet with id=AF7, first strand: chain 'P' and resid 211 through 214 removed outlier: 4.120A pdb=" N ALA P 212 " --> pdb=" O ALA P 287 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N THR P 289 " --> pdb=" O ALA P 212 " (cutoff:3.500A) Processing sheet with id=AF8, first strand: chain 'O' and resid 150 through 153 removed outlier: 3.903A pdb=" N ALA O 151 " --> pdb=" O SER O 164 " (cutoff:3.500A) removed outlier: 6.071A pdb=" N VAL O 161 " --> pdb=" O ARG O 197 " (cutoff:3.500A) removed outlier: 6.904A pdb=" N THR O 199 " --> pdb=" O VAL O 161 " (cutoff:3.500A) removed outlier: 6.035A pdb=" N ILE O 163 " --> pdb=" O THR O 199 " (cutoff:3.500A) Processing sheet with id=AF9, first strand: chain 'O' and resid 207 through 208 Processing sheet with id=AG1, first strand: chain 'O' and resid 211 through 214 removed outlier: 4.119A pdb=" N ALA O 212 " --> pdb=" O ALA O 287 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N THR O 289 " --> pdb=" O ALA O 212 " (cutoff:3.500A) Processing sheet with id=AG2, first strand: chain 'H' and resid 4 through 6 Processing sheet with id=AG3, first strand: chain 'L' and resid 4 through 6 Processing sheet with id=AG4, first strand: chain 'K' and resid 4 through 6 Processing sheet with id=AG5, first strand: chain 'J' and resid 4 through 6 Processing sheet with id=AG6, first strand: chain 'I' and resid 4 through 6 Processing sheet with id=AG7, first strand: chain 'g' and resid 47 through 49 removed outlier: 6.194A pdb=" N GLY g 28 " --> pdb=" O VAL g 129 " (cutoff:3.500A) Processing sheet with id=AG8, first strand: chain 'g' and resid 32 through 33 Processing sheet with id=AG9, first strand: chain 'g' and resid 186 through 188 Processing sheet with id=AH1, first strand: chain 'g' and resid 257 through 258 Processing sheet with id=AH2, first strand: chain 'g' and resid 331 through 338 removed outlier: 4.505A pdb=" N ASN g 333 " --> pdb=" O THR g 360 " (cutoff:3.500A) removed outlier: 5.946A pdb=" N VAL g 353 " --> pdb=" O ASN m 369 " (cutoff:3.500A) removed outlier: 7.659A pdb=" N ARG m 371 " --> pdb=" O VAL g 353 " (cutoff:3.500A) removed outlier: 6.770A pdb=" N TRP g 355 " --> pdb=" O ARG m 371 " (cutoff:3.500A) removed outlier: 7.900A pdb=" N GLU m 373 " --> pdb=" O TRP g 355 " (cutoff:3.500A) removed outlier: 6.624A pdb=" N ILE g 357 " --> pdb=" O GLU m 373 " (cutoff:3.500A) removed outlier: 7.727A pdb=" N THR r 10 " --> pdb=" O PRO m 368 " (cutoff:3.500A) removed outlier: 6.322A pdb=" N PHE m 370 " --> pdb=" O THR r 10 " (cutoff:3.500A) Processing sheet with id=AH3, first strand: chain 'S' and resid 152 through 153 removed outlier: 3.824A pdb=" N VAL S 161 " --> pdb=" O ALA S 195 " (cutoff:3.500A) Processing sheet with id=AH4, first strand: chain 'S' and resid 263 through 266 removed outlier: 4.131A pdb=" N ARG S 263 " --> pdb=" O TYR S 215 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N THR S 289 " --> pdb=" O ALA S 212 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N LEU S 214 " --> pdb=" O THR S 289 " (cutoff:3.500A) Processing sheet with id=AH5, first strand: chain 'h' and resid 47 through 49 removed outlier: 6.194A pdb=" N GLY h 28 " --> pdb=" O VAL h 129 " (cutoff:3.500A) Processing sheet with id=AH6, first strand: chain 'h' and resid 32 through 33 Processing sheet with id=AH7, first strand: chain 'h' and resid 186 through 188 Processing sheet with id=AH8, first strand: chain 'h' and resid 257 through 258 Processing sheet with id=AH9, first strand: chain 'h' and resid 331 through 338 removed outlier: 4.505A pdb=" N ASN h 333 " --> pdb=" O THR h 360 " (cutoff:3.500A) removed outlier: 5.824A pdb=" N VAL h 353 " --> pdb=" O ASN n 369 " (cutoff:3.500A) removed outlier: 7.552A pdb=" N ARG n 371 " --> pdb=" O VAL h 353 " (cutoff:3.500A) removed outlier: 6.648A pdb=" N TRP h 355 " --> pdb=" O ARG n 371 " (cutoff:3.500A) removed outlier: 7.772A pdb=" N GLU n 373 " --> pdb=" O TRP h 355 " (cutoff:3.500A) removed outlier: 6.497A pdb=" N ILE h 357 " --> pdb=" O GLU n 373 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N THR m 8 " --> pdb=" O PRO n 368 " (cutoff:3.500A) Processing sheet with id=AI1, first strand: chain 'l' and resid 47 through 49 removed outlier: 6.194A pdb=" N GLY l 28 " --> pdb=" O VAL l 129 " (cutoff:3.500A) Processing sheet with id=AI2, first strand: chain 'l' and resid 32 through 33 Processing sheet with id=AI3, first strand: chain 'l' and resid 186 through 188 Processing sheet with id=AI4, first strand: chain 'l' and resid 257 through 258 Processing sheet with id=AI5, first strand: chain 'l' and resid 331 through 338 removed outlier: 4.506A pdb=" N ASN l 333 " --> pdb=" O THR l 360 " (cutoff:3.500A) removed outlier: 5.842A pdb=" N VAL l 353 " --> pdb=" O ASN r 369 " (cutoff:3.500A) removed outlier: 7.576A pdb=" N ARG r 371 " --> pdb=" O VAL l 353 " (cutoff:3.500A) removed outlier: 6.695A pdb=" N TRP l 355 " --> pdb=" O ARG r 371 " (cutoff:3.500A) removed outlier: 7.823A pdb=" N GLU r 373 " --> pdb=" O TRP l 355 " (cutoff:3.500A) removed outlier: 6.566A pdb=" N ILE l 357 " --> pdb=" O GLU r 373 " (cutoff:3.500A) removed outlier: 7.740A pdb=" N THR q 10 " --> pdb=" O PRO r 368 " (cutoff:3.500A) removed outlier: 6.341A pdb=" N PHE r 370 " --> pdb=" O THR q 10 " (cutoff:3.500A) Processing sheet with id=AI6, first strand: chain 'k' and resid 47 through 49 removed outlier: 6.195A pdb=" N GLY k 28 " --> pdb=" O VAL k 129 " (cutoff:3.500A) Processing sheet with id=AI7, first strand: chain 'k' and resid 32 through 33 Processing sheet with id=AI8, first strand: chain 'k' and resid 186 through 188 Processing sheet with id=AI9, first strand: chain 'k' and resid 257 through 258 Processing sheet with id=AJ1, first strand: chain 'k' and resid 331 through 338 removed outlier: 4.506A pdb=" N ASN k 333 " --> pdb=" O THR k 360 " (cutoff:3.500A) removed outlier: 5.903A pdb=" N VAL k 353 " --> pdb=" O ASN q 369 " (cutoff:3.500A) removed outlier: 7.632A pdb=" N ARG q 371 " --> pdb=" O VAL k 353 " (cutoff:3.500A) removed outlier: 6.736A pdb=" N TRP k 355 " --> pdb=" O ARG q 371 " (cutoff:3.500A) removed outlier: 7.861A pdb=" N GLU q 373 " --> pdb=" O TRP k 355 " (cutoff:3.500A) removed outlier: 6.592A pdb=" N ILE k 357 " --> pdb=" O GLU q 373 " (cutoff:3.500A) removed outlier: 7.813A pdb=" N THR p 10 " --> pdb=" O PRO q 368 " (cutoff:3.500A) removed outlier: 6.427A pdb=" N PHE q 370 " --> pdb=" O THR p 10 " (cutoff:3.500A) Processing sheet with id=AJ2, first strand: chain 'j' and resid 47 through 49 removed outlier: 6.194A pdb=" N GLY j 28 " --> pdb=" O VAL j 129 " (cutoff:3.500A) Processing sheet with id=AJ3, first strand: chain 'j' and resid 32 through 33 Processing sheet with id=AJ4, first strand: chain 'j' and resid 186 through 188 Processing sheet with id=AJ5, first strand: chain 'j' and resid 257 through 258 Processing sheet with id=AJ6, first strand: chain 'j' and resid 331 through 338 removed outlier: 4.506A pdb=" N ASN j 333 " --> pdb=" O THR j 360 " (cutoff:3.500A) removed outlier: 6.074A pdb=" N VAL j 353 " --> pdb=" O ASN p 369 " (cutoff:3.500A) removed outlier: 7.753A pdb=" N ARG p 371 " --> pdb=" O VAL j 353 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N TRP j 355 " --> pdb=" O ARG p 371 " (cutoff:3.500A) removed outlier: 7.978A pdb=" N GLU p 373 " --> pdb=" O TRP j 355 " (cutoff:3.500A) removed outlier: 6.699A pdb=" N ILE j 357 " --> pdb=" O GLU p 373 " (cutoff:3.500A) removed outlier: 7.835A pdb=" N THR o 10 " --> pdb=" O PRO p 368 " (cutoff:3.500A) removed outlier: 6.446A pdb=" N PHE p 370 " --> pdb=" O THR o 10 " (cutoff:3.500A) Processing sheet with id=AJ7, first strand: chain 'i' and resid 47 through 49 removed outlier: 6.193A pdb=" N GLY i 28 " --> pdb=" O VAL i 129 " (cutoff:3.500A) Processing sheet with id=AJ8, first strand: chain 'i' and resid 32 through 33 Processing sheet with id=AJ9, first strand: chain 'i' and resid 186 through 188 Processing sheet with id=AK1, first strand: chain 'i' and resid 257 through 258 Processing sheet with id=AK2, first strand: chain 'i' and resid 331 through 338 removed outlier: 4.505A pdb=" N ASN i 333 " --> pdb=" O THR i 360 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N THR n 8 " --> pdb=" O PRO o 368 " (cutoff:3.500A) Processing sheet with id=AK3, first strand: chain 'T' and resid 152 through 153 removed outlier: 3.824A pdb=" N VAL T 161 " --> pdb=" O ALA T 195 " (cutoff:3.500A) Processing sheet with id=AK4, first strand: chain 'T' and resid 263 through 266 removed outlier: 4.131A pdb=" N ARG T 263 " --> pdb=" O TYR T 215 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N THR T 289 " --> pdb=" O ALA T 212 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N LEU T 214 " --> pdb=" O THR T 289 " (cutoff:3.500A) Processing sheet with id=AK5, first strand: chain 'X' and resid 152 through 153 removed outlier: 3.825A pdb=" N VAL X 161 " --> pdb=" O ALA X 195 " (cutoff:3.500A) Processing sheet with id=AK6, first strand: chain 'X' and resid 263 through 266 removed outlier: 4.132A pdb=" N ARG X 263 " --> pdb=" O TYR X 215 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N THR X 289 " --> pdb=" O ALA X 212 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N LEU X 214 " --> pdb=" O THR X 289 " (cutoff:3.500A) Processing sheet with id=AK7, first strand: chain 'W' and resid 152 through 153 removed outlier: 3.825A pdb=" N VAL W 161 " --> pdb=" O ALA W 195 " (cutoff:3.500A) Processing sheet with id=AK8, first strand: chain 'W' and resid 263 through 266 removed outlier: 4.130A pdb=" N ARG W 263 " --> pdb=" O TYR W 215 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N THR W 289 " --> pdb=" O ALA W 212 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N LEU W 214 " --> pdb=" O THR W 289 " (cutoff:3.500A) Processing sheet with id=AK9, first strand: chain 'V' and resid 152 through 153 removed outlier: 3.824A pdb=" N VAL V 161 " --> pdb=" O ALA V 195 " (cutoff:3.500A) Processing sheet with id=AL1, first strand: chain 'V' and resid 263 through 266 removed outlier: 4.131A pdb=" N ARG V 263 " --> pdb=" O TYR V 215 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N THR V 289 " --> pdb=" O ALA V 212 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N LEU V 214 " --> pdb=" O THR V 289 " (cutoff:3.500A) Processing sheet with id=AL2, first strand: chain 'U' and resid 152 through 153 removed outlier: 3.824A pdb=" N VAL U 161 " --> pdb=" O ALA U 195 " (cutoff:3.500A) Processing sheet with id=AL3, first strand: chain 'U' and resid 263 through 266 removed outlier: 4.131A pdb=" N ARG U 263 " --> pdb=" O TYR U 215 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N THR U 289 " --> pdb=" O ALA U 212 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N LEU U 214 " --> pdb=" O THR U 289 " (cutoff:3.500A) Processing sheet with id=AL4, first strand: chain 'm' and resid 47 through 49 removed outlier: 6.373A pdb=" N LEU m 128 " --> pdb=" O ILE m 155 " (cutoff:3.500A) Processing sheet with id=AL5, first strand: chain 'm' and resid 194 through 198 removed outlier: 7.390A pdb=" N TRP m 188 " --> pdb=" O VAL m 229 " (cutoff:3.500A) removed outlier: 8.397A pdb=" N VAL m 229 " --> pdb=" O TRP m 188 " (cutoff:3.500A) Processing sheet with id=AL6, first strand: chain 'm' and resid 257 through 258 Processing sheet with id=AL7, first strand: chain 'm' and resid 331 through 338 removed outlier: 4.450A pdb=" N ASN m 333 " --> pdb=" O THR m 360 " (cutoff:3.500A) removed outlier: 6.003A pdb=" N VAL m 353 " --> pdb=" O ASN s 369 " (cutoff:3.500A) removed outlier: 7.548A pdb=" N ARG s 371 " --> pdb=" O VAL m 353 " (cutoff:3.500A) removed outlier: 6.731A pdb=" N TRP m 355 " --> pdb=" O ARG s 371 " (cutoff:3.500A) removed outlier: 7.786A pdb=" N GLU s 373 " --> pdb=" O TRP m 355 " (cutoff:3.500A) removed outlier: 6.416A pdb=" N ILE m 357 " --> pdb=" O GLU s 373 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR x 10 " --> pdb=" O PRO s 368 " (cutoff:3.500A) removed outlier: 6.347A pdb=" N PHE s 370 " --> pdb=" O THR x 10 " (cutoff:3.500A) Processing sheet with id=AL8, first strand: chain 'n' and resid 47 through 49 removed outlier: 6.372A pdb=" N LEU n 128 " --> pdb=" O ILE n 155 " (cutoff:3.500A) Processing sheet with id=AL9, first strand: chain 'n' and resid 194 through 198 removed outlier: 7.390A pdb=" N TRP n 188 " --> pdb=" O VAL n 229 " (cutoff:3.500A) removed outlier: 8.397A pdb=" N VAL n 229 " --> pdb=" O TRP n 188 " (cutoff:3.500A) Processing sheet with id=AM1, first strand: chain 'n' and resid 257 through 258 Processing sheet with id=AM2, first strand: chain 'n' and resid 331 through 338 removed outlier: 4.450A pdb=" N ASN n 333 " --> pdb=" O THR n 360 " (cutoff:3.500A) removed outlier: 6.048A pdb=" N VAL n 353 " --> pdb=" O ASN t 369 " (cutoff:3.500A) removed outlier: 7.627A pdb=" N ARG t 371 " --> pdb=" O VAL n 353 " (cutoff:3.500A) removed outlier: 6.818A pdb=" N TRP n 355 " --> pdb=" O ARG t 371 " (cutoff:3.500A) removed outlier: 7.864A pdb=" N GLU t 373 " --> pdb=" O TRP n 355 " (cutoff:3.500A) removed outlier: 6.507A pdb=" N ILE n 357 " --> pdb=" O GLU t 373 " (cutoff:3.500A) Processing sheet with id=AM3, first strand: chain 's' and resid 47 through 49 removed outlier: 6.445A pdb=" N ILE s 27 " --> pdb=" O VAL s 81 " (cutoff:3.500A) removed outlier: 6.037A pdb=" N GLY s 28 " --> pdb=" O VAL s 129 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N LEU s 128 " --> pdb=" O ILE s 155 " (cutoff:3.500A) Processing sheet with id=AM4, first strand: chain 's' and resid 194 through 197 removed outlier: 7.224A pdb=" N TRP s 188 " --> pdb=" O VAL s 229 " (cutoff:3.500A) removed outlier: 8.378A pdb=" N VAL s 229 " --> pdb=" O TRP s 188 " (cutoff:3.500A) Processing sheet with id=AM5, first strand: chain 's' and resid 257 through 258 Processing sheet with id=AM6, first strand: chain 's' and resid 331 through 338 removed outlier: 7.022A pdb=" N THR s 360 " --> pdb=" O ILE s 332 " (cutoff:3.500A) removed outlier: 4.638A pdb=" N PHE s 334 " --> pdb=" O ARG s 358 " (cutoff:3.500A) removed outlier: 6.826A pdb=" N ARG s 358 " --> pdb=" O PHE s 334 " (cutoff:3.500A) removed outlier: 4.386A pdb=" N VAL s 336 " --> pdb=" O ASN s 356 " (cutoff:3.500A) removed outlier: 6.957A pdb=" N ASN s 356 " --> pdb=" O VAL s 336 " (cutoff:3.500A) Processing sheet with id=AM7, first strand: chain 'r' and resid 47 through 49 removed outlier: 6.372A pdb=" N LEU r 128 " --> pdb=" O ILE r 155 " (cutoff:3.500A) Processing sheet with id=AM8, first strand: chain 'r' and resid 194 through 198 removed outlier: 7.390A pdb=" N TRP r 188 " --> pdb=" O VAL r 229 " (cutoff:3.500A) removed outlier: 8.397A pdb=" N VAL r 229 " --> pdb=" O TRP r 188 " (cutoff:3.500A) Processing sheet with id=AM9, first strand: chain 'r' and resid 257 through 258 Processing sheet with id=AN1, first strand: chain 'r' and resid 331 through 338 removed outlier: 4.449A pdb=" N ASN r 333 " --> pdb=" O THR r 360 " (cutoff:3.500A) removed outlier: 6.066A pdb=" N VAL r 353 " --> pdb=" O ASN x 369 " (cutoff:3.500A) removed outlier: 7.635A pdb=" N ARG x 371 " --> pdb=" O VAL r 353 " (cutoff:3.500A) removed outlier: 6.829A pdb=" N TRP r 355 " --> pdb=" O ARG x 371 " (cutoff:3.500A) removed outlier: 7.882A pdb=" N GLU x 373 " --> pdb=" O TRP r 355 " (cutoff:3.500A) removed outlier: 6.517A pdb=" N ILE r 357 " --> pdb=" O GLU x 373 " (cutoff:3.500A) removed outlier: 7.531A pdb=" N THR w 10 " --> pdb=" O PRO x 368 " (cutoff:3.500A) removed outlier: 6.259A pdb=" N PHE x 370 " --> pdb=" O THR w 10 " (cutoff:3.500A) Processing sheet with id=AN2, first strand: chain 'q' and resid 47 through 49 removed outlier: 6.372A pdb=" N LEU q 128 " --> pdb=" O ILE q 155 " (cutoff:3.500A) Processing sheet with id=AN3, first strand: chain 'q' and resid 194 through 198 removed outlier: 7.390A pdb=" N TRP q 188 " --> pdb=" O VAL q 229 " (cutoff:3.500A) removed outlier: 8.398A pdb=" N VAL q 229 " --> pdb=" O TRP q 188 " (cutoff:3.500A) Processing sheet with id=AN4, first strand: chain 'q' and resid 257 through 258 Processing sheet with id=AN5, first strand: chain 'q' and resid 331 through 338 removed outlier: 4.450A pdb=" N ASN q 333 " --> pdb=" O THR q 360 " (cutoff:3.500A) removed outlier: 6.050A pdb=" N VAL q 353 " --> pdb=" O ASN w 369 " (cutoff:3.500A) removed outlier: 7.608A pdb=" N ARG w 371 " --> pdb=" O VAL q 353 " (cutoff:3.500A) removed outlier: 6.796A pdb=" N TRP q 355 " --> pdb=" O ARG w 371 " (cutoff:3.500A) removed outlier: 7.847A pdb=" N GLU w 373 " --> pdb=" O TRP q 355 " (cutoff:3.500A) removed outlier: 6.488A pdb=" N ILE q 357 " --> pdb=" O GLU w 373 " (cutoff:3.500A) removed outlier: 7.632A pdb=" N THR v 10 " --> pdb=" O PRO w 368 " (cutoff:3.500A) removed outlier: 6.372A pdb=" N PHE w 370 " --> pdb=" O THR v 10 " (cutoff:3.500A) Processing sheet with id=AN6, first strand: chain 'p' and resid 47 through 49 removed outlier: 6.372A pdb=" N LEU p 128 " --> pdb=" O ILE p 155 " (cutoff:3.500A) Processing sheet with id=AN7, first strand: chain 'p' and resid 194 through 198 removed outlier: 7.389A pdb=" N TRP p 188 " --> pdb=" O VAL p 229 " (cutoff:3.500A) removed outlier: 8.398A pdb=" N VAL p 229 " --> pdb=" O TRP p 188 " (cutoff:3.500A) Processing sheet with id=AN8, first strand: chain 'p' and resid 257 through 258 Processing sheet with id=AN9, first strand: chain 'p' and resid 331 through 338 removed outlier: 4.450A pdb=" N ASN p 333 " --> pdb=" O THR p 360 " (cutoff:3.500A) removed outlier: 6.054A pdb=" N VAL p 353 " --> pdb=" O ASN v 369 " (cutoff:3.500A) removed outlier: 7.620A pdb=" N ARG v 371 " --> pdb=" O VAL p 353 " (cutoff:3.500A) removed outlier: 6.807A pdb=" N TRP p 355 " --> pdb=" O ARG v 371 " (cutoff:3.500A) removed outlier: 7.855A pdb=" N GLU v 373 " --> pdb=" O TRP p 355 " (cutoff:3.500A) removed outlier: 6.498A pdb=" N ILE p 357 " --> pdb=" O GLU v 373 " (cutoff:3.500A) removed outlier: 7.623A pdb=" N THR u 10 " --> pdb=" O PRO v 368 " (cutoff:3.500A) removed outlier: 6.368A pdb=" N PHE v 370 " --> pdb=" O THR u 10 " (cutoff:3.500A) Processing sheet with id=AO1, first strand: chain 'o' and resid 47 through 49 removed outlier: 6.372A pdb=" N LEU o 128 " --> pdb=" O ILE o 155 " (cutoff:3.500A) Processing sheet with id=AO2, first strand: chain 'o' and resid 194 through 198 removed outlier: 7.390A pdb=" N TRP o 188 " --> pdb=" O VAL o 229 " (cutoff:3.500A) removed outlier: 8.397A pdb=" N VAL o 229 " --> pdb=" O TRP o 188 " (cutoff:3.500A) Processing sheet with id=AO3, first strand: chain 'o' and resid 257 through 258 Processing sheet with id=AO4, first strand: chain 'o' and resid 331 through 338 removed outlier: 4.449A pdb=" N ASN o 333 " --> pdb=" O THR o 360 " (cutoff:3.500A) removed outlier: 6.073A pdb=" N VAL o 353 " --> pdb=" O ASN u 369 " (cutoff:3.500A) removed outlier: 7.616A pdb=" N ARG u 371 " --> pdb=" O VAL o 353 " (cutoff:3.500A) removed outlier: 6.790A pdb=" N TRP o 355 " --> pdb=" O ARG u 371 " (cutoff:3.500A) removed outlier: 7.840A pdb=" N GLU u 373 " --> pdb=" O TRP o 355 " (cutoff:3.500A) removed outlier: 6.471A pdb=" N ILE o 357 " --> pdb=" O GLU u 373 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N THR t 8 " --> pdb=" O PRO u 368 " (cutoff:3.500A) Processing sheet with id=AO5, first strand: chain 't' and resid 47 through 49 removed outlier: 6.445A pdb=" N ILE t 27 " --> pdb=" O VAL t 81 " (cutoff:3.500A) removed outlier: 6.038A pdb=" N GLY t 28 " --> pdb=" O VAL t 129 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N LEU t 128 " --> pdb=" O ILE t 155 " (cutoff:3.500A) Processing sheet with id=AO6, first strand: chain 't' and resid 194 through 197 removed outlier: 7.224A pdb=" N TRP t 188 " --> pdb=" O VAL t 229 " (cutoff:3.500A) removed outlier: 8.377A pdb=" N VAL t 229 " --> pdb=" O TRP t 188 " (cutoff:3.500A) Processing sheet with id=AO7, first strand: chain 't' and resid 257 through 258 Processing sheet with id=AO8, first strand: chain 't' and resid 331 through 338 removed outlier: 7.022A pdb=" N THR t 360 " --> pdb=" O ILE t 332 " (cutoff:3.500A) removed outlier: 4.639A pdb=" N PHE t 334 " --> pdb=" O ARG t 358 " (cutoff:3.500A) removed outlier: 6.825A pdb=" N ARG t 358 " --> pdb=" O PHE t 334 " (cutoff:3.500A) removed outlier: 4.386A pdb=" N VAL t 336 " --> pdb=" O ASN t 356 " (cutoff:3.500A) removed outlier: 6.957A pdb=" N ASN t 356 " --> pdb=" O VAL t 336 " (cutoff:3.500A) Processing sheet with id=AO9, first strand: chain 'x' and resid 47 through 49 removed outlier: 6.446A pdb=" N ILE x 27 " --> pdb=" O VAL x 81 " (cutoff:3.500A) removed outlier: 6.038A pdb=" N GLY x 28 " --> pdb=" O VAL x 129 " (cutoff:3.500A) removed outlier: 6.540A pdb=" N LEU x 128 " --> pdb=" O ILE x 155 " (cutoff:3.500A) Processing sheet with id=AP1, first strand: chain 'x' and resid 194 through 197 removed outlier: 7.224A pdb=" N TRP x 188 " --> pdb=" O VAL x 229 " (cutoff:3.500A) removed outlier: 8.377A pdb=" N VAL x 229 " --> pdb=" O TRP x 188 " (cutoff:3.500A) Processing sheet with id=AP2, first strand: chain 'x' and resid 257 through 258 Processing sheet with id=AP3, first strand: chain 'x' and resid 331 through 338 removed outlier: 7.022A pdb=" N THR x 360 " --> pdb=" O ILE x 332 " (cutoff:3.500A) removed outlier: 4.640A pdb=" N PHE x 334 " --> pdb=" O ARG x 358 " (cutoff:3.500A) removed outlier: 6.825A pdb=" N ARG x 358 " --> pdb=" O PHE x 334 " (cutoff:3.500A) removed outlier: 4.386A pdb=" N VAL x 336 " --> pdb=" O ASN x 356 " (cutoff:3.500A) removed outlier: 6.958A pdb=" N ASN x 356 " --> pdb=" O VAL x 336 " (cutoff:3.500A) Processing sheet with id=AP4, first strand: chain 'w' and resid 47 through 49 removed outlier: 6.446A pdb=" N ILE w 27 " --> pdb=" O VAL w 81 " (cutoff:3.500A) removed outlier: 6.037A pdb=" N GLY w 28 " --> pdb=" O VAL w 129 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N LEU w 128 " --> pdb=" O ILE w 155 " (cutoff:3.500A) Processing sheet with id=AP5, first strand: chain 'w' and resid 194 through 197 removed outlier: 7.224A pdb=" N TRP w 188 " --> pdb=" O VAL w 229 " (cutoff:3.500A) removed outlier: 8.378A pdb=" N VAL w 229 " --> pdb=" O TRP w 188 " (cutoff:3.500A) Processing sheet with id=AP6, first strand: chain 'w' and resid 257 through 258 Processing sheet with id=AP7, first strand: chain 'w' and resid 331 through 338 removed outlier: 7.022A pdb=" N THR w 360 " --> pdb=" O ILE w 332 " (cutoff:3.500A) removed outlier: 4.639A pdb=" N PHE w 334 " --> pdb=" O ARG w 358 " (cutoff:3.500A) removed outlier: 6.826A pdb=" N ARG w 358 " --> pdb=" O PHE w 334 " (cutoff:3.500A) removed outlier: 4.386A pdb=" N VAL w 336 " --> pdb=" O ASN w 356 " (cutoff:3.500A) removed outlier: 6.958A pdb=" N ASN w 356 " --> pdb=" O VAL w 336 " (cutoff:3.500A) Processing sheet with id=AP8, first strand: chain 'v' and resid 47 through 49 removed outlier: 6.445A pdb=" N ILE v 27 " --> pdb=" O VAL v 81 " (cutoff:3.500A) removed outlier: 6.037A pdb=" N GLY v 28 " --> pdb=" O VAL v 129 " (cutoff:3.500A) removed outlier: 6.540A pdb=" N LEU v 128 " --> pdb=" O ILE v 155 " (cutoff:3.500A) Processing sheet with id=AP9, first strand: chain 'v' and resid 32 through 33 Processing sheet with id=AQ1, first strand: chain 'v' and resid 194 through 197 removed outlier: 7.223A pdb=" N TRP v 188 " --> pdb=" O VAL v 229 " (cutoff:3.500A) removed outlier: 8.378A pdb=" N VAL v 229 " --> pdb=" O TRP v 188 " (cutoff:3.500A) Processing sheet with id=AQ2, first strand: chain 'v' and resid 257 through 258 Processing sheet with id=AQ3, first strand: chain 'v' and resid 331 through 338 removed outlier: 7.023A pdb=" N THR v 360 " --> pdb=" O ILE v 332 " (cutoff:3.500A) removed outlier: 4.639A pdb=" N PHE v 334 " --> pdb=" O ARG v 358 " (cutoff:3.500A) removed outlier: 6.826A pdb=" N ARG v 358 " --> pdb=" O PHE v 334 " (cutoff:3.500A) removed outlier: 4.385A pdb=" N VAL v 336 " --> pdb=" O ASN v 356 " (cutoff:3.500A) removed outlier: 6.958A pdb=" N ASN v 356 " --> pdb=" O VAL v 336 " (cutoff:3.500A) Processing sheet with id=AQ4, first strand: chain 'u' and resid 47 through 49 removed outlier: 6.446A pdb=" N ILE u 27 " --> pdb=" O VAL u 81 " (cutoff:3.500A) removed outlier: 6.038A pdb=" N GLY u 28 " --> pdb=" O VAL u 129 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N LEU u 128 " --> pdb=" O ILE u 155 " (cutoff:3.500A) Processing sheet with id=AQ5, first strand: chain 'u' and resid 194 through 197 removed outlier: 7.224A pdb=" N TRP u 188 " --> pdb=" O VAL u 229 " (cutoff:3.500A) removed outlier: 8.378A pdb=" N VAL u 229 " --> pdb=" O TRP u 188 " (cutoff:3.500A) Processing sheet with id=AQ6, first strand: chain 'u' and resid 257 through 258 Processing sheet with id=AQ7, first strand: chain 'u' and resid 331 through 338 removed outlier: 7.022A pdb=" N THR u 360 " --> pdb=" O ILE u 332 " (cutoff:3.500A) removed outlier: 4.639A pdb=" N PHE u 334 " --> pdb=" O ARG u 358 " (cutoff:3.500A) removed outlier: 6.826A pdb=" N ARG u 358 " --> pdb=" O PHE u 334 " (cutoff:3.500A) removed outlier: 4.386A pdb=" N VAL u 336 " --> pdb=" O ASN u 356 " (cutoff:3.500A) removed outlier: 6.958A pdb=" N ASN u 356 " --> pdb=" O VAL u 336 " (cutoff:3.500A) 3246 hydrogen bonds defined for protein. 8991 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: 45.48 Time building geometry restraints manager: 32.48 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.22 - 1.34: 36946 1.34 - 1.46: 18347 1.46 - 1.57: 56415 1.57 - 1.69: 0 1.69 - 1.81: 492 Bond restraints: 112200 Sorted by residual: bond pdb=" C SER M 155 " pdb=" N PRO M 156 " ideal model delta sigma weight residual 1.334 1.393 -0.059 2.34e-02 1.83e+03 6.30e+00 bond pdb=" C SER O 155 " pdb=" N PRO O 156 " ideal model delta sigma weight residual 1.334 1.392 -0.058 2.34e-02 1.83e+03 6.14e+00 bond pdb=" C SER R 155 " pdb=" N PRO R 156 " ideal model delta sigma weight residual 1.334 1.392 -0.058 2.34e-02 1.83e+03 6.12e+00 bond pdb=" C SER Q 155 " pdb=" N PRO Q 156 " ideal model delta sigma weight residual 1.334 1.392 -0.058 2.34e-02 1.83e+03 6.12e+00 bond pdb=" C SER N 155 " pdb=" N PRO N 156 " ideal model delta sigma weight residual 1.334 1.391 -0.058 2.34e-02 1.83e+03 6.04e+00 ... (remaining 112195 not shown) Histogram of bond angle deviations from ideal: 98.81 - 105.86: 2624 105.86 - 112.91: 59629 112.91 - 119.96: 39743 119.96 - 127.01: 49512 127.01 - 134.06: 1348 Bond angle restraints: 152856 Sorted by residual: angle pdb=" N VAL U 200 " pdb=" CA VAL U 200 " pdb=" C VAL U 200 " ideal model delta sigma weight residual 110.42 118.15 -7.73 9.60e-01 1.09e+00 6.49e+01 angle pdb=" N VAL W 200 " pdb=" CA VAL W 200 " pdb=" C VAL W 200 " ideal model delta sigma weight residual 110.42 118.14 -7.72 9.60e-01 1.09e+00 6.46e+01 angle pdb=" N VAL V 200 " pdb=" CA VAL V 200 " pdb=" C VAL V 200 " ideal model delta sigma weight residual 110.42 118.13 -7.71 9.60e-01 1.09e+00 6.45e+01 angle pdb=" N VAL T 200 " pdb=" CA VAL T 200 " pdb=" C VAL T 200 " ideal model delta sigma weight residual 110.42 118.12 -7.70 9.60e-01 1.09e+00 6.43e+01 angle pdb=" N VAL S 200 " pdb=" CA VAL S 200 " pdb=" C VAL S 200 " ideal model delta sigma weight residual 110.42 118.10 -7.68 9.60e-01 1.09e+00 6.40e+01 ... (remaining 152851 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 16.05: 61692 16.05 - 32.09: 4598 32.09 - 48.14: 910 48.14 - 64.19: 90 64.19 - 80.24: 96 Dihedral angle restraints: 67386 sinusoidal: 25620 harmonic: 41766 Sorted by residual: dihedral pdb=" CA ILE w 259 " pdb=" C ILE w 259 " pdb=" N ARG w 260 " pdb=" CA ARG w 260 " ideal model delta harmonic sigma weight residual -180.00 -150.07 -29.93 0 5.00e+00 4.00e-02 3.58e+01 dihedral pdb=" CA ILE x 259 " pdb=" C ILE x 259 " pdb=" N ARG x 260 " pdb=" CA ARG x 260 " ideal model delta harmonic sigma weight residual 180.00 -150.11 -29.89 0 5.00e+00 4.00e-02 3.57e+01 dihedral pdb=" CA ILE u 259 " pdb=" C ILE u 259 " pdb=" N ARG u 260 " pdb=" CA ARG u 260 " ideal model delta harmonic sigma weight residual -180.00 -150.13 -29.87 0 5.00e+00 4.00e-02 3.57e+01 ... (remaining 67383 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.049: 12295 0.049 - 0.098: 4042 0.098 - 0.147: 1089 0.147 - 0.196: 101 0.196 - 0.245: 23 Chirality restraints: 17550 Sorted by residual: chirality pdb=" CB ILE V 205 " pdb=" CA ILE V 205 " pdb=" CG1 ILE V 205 " pdb=" CG2 ILE V 205 " both_signs ideal model delta sigma weight residual False 2.64 2.40 0.25 2.00e-01 2.50e+01 1.50e+00 chirality pdb=" CB ILE T 205 " pdb=" CA ILE T 205 " pdb=" CG1 ILE T 205 " pdb=" CG2 ILE T 205 " both_signs ideal model delta sigma weight residual False 2.64 2.40 0.24 2.00e-01 2.50e+01 1.49e+00 chirality pdb=" CB ILE U 205 " pdb=" CA ILE U 205 " pdb=" CG1 ILE U 205 " pdb=" CG2 ILE U 205 " both_signs ideal model delta sigma weight residual False 2.64 2.40 0.24 2.00e-01 2.50e+01 1.48e+00 ... (remaining 17547 not shown) Planarity restraints: 20160 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C VAL M 104 " -0.044 5.00e-02 4.00e+02 6.50e-02 6.77e+00 pdb=" N PRO M 105 " 0.112 5.00e-02 4.00e+02 pdb=" CA PRO M 105 " -0.032 5.00e-02 4.00e+02 pdb=" CD PRO M 105 " -0.037 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C VAL P 104 " 0.044 5.00e-02 4.00e+02 6.48e-02 6.72e+00 pdb=" N PRO P 105 " -0.112 5.00e-02 4.00e+02 pdb=" CA PRO P 105 " 0.032 5.00e-02 4.00e+02 pdb=" CD PRO P 105 " 0.037 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C VAL O 104 " 0.043 5.00e-02 4.00e+02 6.47e-02 6.71e+00 pdb=" N PRO O 105 " -0.112 5.00e-02 4.00e+02 pdb=" CA PRO O 105 " 0.032 5.00e-02 4.00e+02 pdb=" CD PRO O 105 " 0.036 5.00e-02 4.00e+02 ... (remaining 20157 not shown) Histogram of nonbonded interaction distances: 2.21 - 2.75: 11894 2.75 - 3.29: 101723 3.29 - 3.82: 179865 3.82 - 4.36: 217817 4.36 - 4.90: 371232 Nonbonded interactions: 882531 Sorted by model distance: nonbonded pdb=" O THR r 244 " pdb=" OG1 THR w 50 " model vdw 2.210 2.440 nonbonded pdb=" O THR m 244 " pdb=" OG1 THR x 50 " model vdw 2.226 2.440 nonbonded pdb=" O THR g 244 " pdb=" OG1 THR r 50 " model vdw 2.241 2.440 nonbonded pdb=" OG1 THR h 141 " pdb=" O LYS s 227 " model vdw 2.256 2.440 nonbonded pdb=" OG1 THR i 141 " pdb=" O LYS t 227 " model vdw 2.266 2.440 ... (remaining 882526 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = chain '0' selection = chain '1' selection = chain '2' selection = chain '3' selection = chain '4' selection = chain '5' } ncs_group { reference = chain 'A' selection = chain 'B' selection = chain 'C' selection = chain 'D' selection = chain 'E' selection = chain 'F' } ncs_group { reference = chain 'G' selection = chain 'H' selection = chain 'I' selection = chain 'J' selection = chain 'K' selection = chain 'L' } ncs_group { reference = chain 'M' selection = chain 'N' selection = chain 'O' selection = chain 'P' selection = chain 'Q' selection = chain 'R' selection = (chain 'S' and resid 2 through 292) selection = (chain 'T' and resid 2 through 292) selection = (chain 'U' and resid 2 through 292) selection = (chain 'V' and resid 2 through 292) selection = (chain 'W' and resid 2 through 292) selection = (chain 'X' and resid 2 through 292) } ncs_group { reference = chain 'a' selection = chain 'b' selection = chain 'c' selection = chain 'd' selection = chain 'e' selection = chain 'f' selection = chain 'g' selection = chain 'h' selection = chain 'i' selection = chain 'j' selection = chain 'k' selection = chain 'l' selection = chain 'm' selection = chain 'n' selection = chain 'o' selection = chain 'p' selection = chain 'q' selection = chain 'r' selection = chain 's' selection = chain 't' selection = chain 'u' selection = chain 'v' selection = chain 'w' selection = chain 'x' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=0.00 max=1.00 mean=0.95 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 4.000 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.010 Construct map_model_manager: 0.100 Extract box with map and model: 21.700 Check model and map are aligned: 1.160 Set scattering table: 0.710 Process input model: 203.960 Find NCS groups from input model: 5.560 Set up NCS constraints: 0.990 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.020 Load rotamer database and sin/cos tables:2.190 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 240.400 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8095 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 : 0.005 0.065 112200 Z= 0.339 Angle : 0.783 11.552 152856 Z= 0.438 Chirality : 0.051 0.245 17550 Planarity : 0.006 0.065 20160 Dihedral : 12.136 80.237 40446 Min Nonbonded Distance : 2.210 Molprobity Statistics. All-atom Clashscore : 5.29 Ramachandran Plot: Outliers : 0.00 % Allowed : 7.03 % Favored : 92.97 % Rotamer Outliers : 3.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -5.23 (0.05), residues: 14412 helix: -4.51 (0.03), residues: 5280 sheet: -2.77 (0.12), residues: 1422 loop : -2.84 (0.06), residues: 7710 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28824 Ramachandran restraints generated. 14412 Oldfield, 0 Emsley, 14412 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28824 Ramachandran restraints generated. 14412 Oldfield, 0 Emsley, 14412 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2783 residues out of total 11388 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 342 poor density : 2441 time to evaluate : 8.725 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 342 outliers final: 80 residues processed: 2690 average time/residue: 0.9857 time to fit residues: 4525.1692 Evaluate side-chains 1637 residues out of total 11388 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 80 poor density : 1557 time to evaluate : 8.664 Switching outliers to nearest non-outliers outliers start: 80 outliers final: 0 residues processed: 80 average time/residue: 0.7458 time to fit residues: 127.5166 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1434 random chunks: chunk 1210 optimal weight: 6.9990 chunk 1086 optimal weight: 5.9990 chunk 603 optimal weight: 10.0000 chunk 371 optimal weight: 30.0000 chunk 733 optimal weight: 5.9990 chunk 580 optimal weight: 1.9990 chunk 1123 optimal weight: 0.4980 chunk 434 optimal weight: 40.0000 chunk 683 optimal weight: 8.9990 chunk 836 optimal weight: 30.0000 chunk 1302 optimal weight: 4.9990 overall best weight: 3.8988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: a 5 HIS G 43 GLN M 122 GLN M 240 GLN 0 9 ASN 0 86 GLN 1 9 ASN 1 86 GLN 5 9 ASN 5 86 GLN 4 9 ASN 4 86 GLN 3 9 ASN 3 86 GLN 2 9 ASN 2 86 GLN b 5 HIS b 186 GLN e 5 HIS e 186 GLN d 5 HIS d 186 GLN c 333 ASN E 60 GLN D 60 GLN N 122 GLN N 240 GLN R 122 GLN R 240 GLN Q 122 GLN Q 240 GLN P 122 GLN P 240 GLN O 122 GLN O 240 GLN L 43 GLN K 43 GLN J 43 GLN I 43 GLN g 5 HIS g 11 ASN g 122 ASN g 137 GLN g 197 ASN S 84 GLN h 5 HIS h 77 GLN h 137 GLN h 197 ASN l 5 HIS l 137 GLN l 197 ASN k 5 HIS k 77 GLN k 137 GLN k 197 ASN k 367 ASN j 5 HIS j 77 GLN j 122 ASN j 137 GLN j 197 ASN j 328 GLN i 5 HIS i 77 GLN i 137 GLN i 197 ASN i 350 GLN T 84 GLN T 257 HIS W 84 GLN V 84 GLN U 84 GLN m 5 HIS ** m 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 252 ASN n 5 HIS ** n 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 252 ASN n 343 ASN s 77 GLN r 122 ASN ** q 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 252 ASN q 343 ASN p 5 HIS ** p 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 197 ASN p 343 ASN o 197 ASN x 254 ASN x 350 GLN w 77 GLN u 254 ASN u 350 GLN Total number of N/Q/H flips: 91 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8175 moved from start: 0.2054 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.049 112200 Z= 0.271 Angle : 0.608 9.734 152856 Z= 0.317 Chirality : 0.045 0.179 17550 Planarity : 0.005 0.053 20160 Dihedral : 5.459 30.177 15768 Min Nonbonded Distance : 2.007 Molprobity Statistics. All-atom Clashscore : 8.42 Ramachandran Plot: Outliers : 0.00 % Allowed : 7.07 % Favored : 92.93 % Rotamer Outliers : 3.10 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.01 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.91 (0.06), residues: 14412 helix: -2.95 (0.05), residues: 5214 sheet: -3.13 (0.11), residues: 1716 loop : -2.11 (0.07), residues: 7482 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28824 Ramachandran restraints generated. 14412 Oldfield, 0 Emsley, 14412 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28824 Ramachandran restraints generated. 14412 Oldfield, 0 Emsley, 14412 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2045 residues out of total 11388 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 353 poor density : 1692 time to evaluate : 8.652 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 353 outliers final: 199 residues processed: 1927 average time/residue: 0.9391 time to fit residues: 3163.9330 Evaluate side-chains 1605 residues out of total 11388 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 199 poor density : 1406 time to evaluate : 8.692 Switching outliers to nearest non-outliers outliers start: 199 outliers final: 0 residues processed: 199 average time/residue: 0.7447 time to fit residues: 299.4368 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1434 random chunks: chunk 723 optimal weight: 9.9990 chunk 404 optimal weight: 30.0000 chunk 1083 optimal weight: 5.9990 chunk 886 optimal weight: 50.0000 chunk 359 optimal weight: 5.9990 chunk 1304 optimal weight: 3.9990 chunk 1409 optimal weight: 3.9990 chunk 1161 optimal weight: 6.9990 chunk 1293 optimal weight: 8.9990 chunk 444 optimal weight: 0.6980 chunk 1046 optimal weight: 6.9990 overall best weight: 4.1388 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: b 11 ASN b 136 GLN f 136 GLN e 136 GLN d 136 GLN c 5 HIS H 43 GLN g 11 ASN g 122 ASN h 77 GLN h 94 GLN l 11 ASN k 77 GLN k 94 GLN j 122 ASN i 77 GLN i 350 GLN m 122 ASN ** n 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 197 ASN n 252 ASN s 5 HIS s 367 ASN ** q 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 252 ASN ** p 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 5 HIS x 377 GLN w 5 HIS w 77 GLN w 328 GLN v 5 HIS v 367 ASN u 328 GLN u 350 GLN Total number of N/Q/H flips: 32 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8201 moved from start: 0.2581 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.043 112200 Z= 0.278 Angle : 0.588 10.195 152856 Z= 0.303 Chirality : 0.045 0.211 17550 Planarity : 0.005 0.051 20160 Dihedral : 5.210 27.946 15768 Min Nonbonded Distance : 2.071 Molprobity Statistics. All-atom Clashscore : 8.96 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.63 % Favored : 93.37 % Rotamer Outliers : 2.55 % 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: -3.06 (0.06), residues: 14412 helix: -1.87 (0.07), residues: 5136 sheet: -2.98 (0.11), residues: 1710 loop : -1.85 (0.07), residues: 7566 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28824 Ramachandran restraints generated. 14412 Oldfield, 0 Emsley, 14412 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28824 Ramachandran restraints generated. 14412 Oldfield, 0 Emsley, 14412 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1823 residues out of total 11388 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 290 poor density : 1533 time to evaluate : 8.813 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 290 outliers final: 148 residues processed: 1740 average time/residue: 0.9898 time to fit residues: 3015.8841 Evaluate side-chains 1515 residues out of total 11388 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 148 poor density : 1367 time to evaluate : 8.650 Switching outliers to nearest non-outliers outliers start: 148 outliers final: 0 residues processed: 148 average time/residue: 0.7585 time to fit residues: 225.8139 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1434 random chunks: chunk 1288 optimal weight: 10.0000 chunk 980 optimal weight: 1.9990 chunk 677 optimal weight: 6.9990 chunk 144 optimal weight: 30.0000 chunk 622 optimal weight: 50.0000 chunk 876 optimal weight: 40.0000 chunk 1309 optimal weight: 5.9990 chunk 1386 optimal weight: 2.9990 chunk 684 optimal weight: 2.9990 chunk 1240 optimal weight: 0.3980 chunk 373 optimal weight: 20.0000 overall best weight: 2.8788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: b 160 ASN f 5 HIS e 137 GLN e 160 ASN c 172 ASN ** L 43 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 122 ASN h 77 GLN l 172 ASN k 77 GLN k 94 GLN k 172 ASN j 122 ASN i 77 GLN i 252 ASN ** n 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 197 ASN n 252 ASN r 197 ASN q 44 ASN ** q 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 252 ASN p 44 ASN ** p 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 367 ASN x 77 GLN x 350 GLN w 328 GLN Total number of N/Q/H flips: 24 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8182 moved from start: 0.2870 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.041 112200 Z= 0.213 Angle : 0.550 9.272 152856 Z= 0.283 Chirality : 0.044 0.173 17550 Planarity : 0.004 0.051 20160 Dihedral : 4.967 26.106 15768 Min Nonbonded Distance : 2.066 Molprobity Statistics. All-atom Clashscore : 8.95 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.54 % Favored : 93.46 % Rotamer Outliers : 2.08 % 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: -2.59 (0.07), residues: 14412 helix: -1.27 (0.07), residues: 5130 sheet: -2.91 (0.11), residues: 1710 loop : -1.69 (0.07), residues: 7572 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28824 Ramachandran restraints generated. 14412 Oldfield, 0 Emsley, 14412 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28824 Ramachandran restraints generated. 14412 Oldfield, 0 Emsley, 14412 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1707 residues out of total 11388 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 237 poor density : 1470 time to evaluate : 8.897 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 237 outliers final: 117 residues processed: 1627 average time/residue: 0.9580 time to fit residues: 2711.7292 Evaluate side-chains 1460 residues out of total 11388 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 117 poor density : 1343 time to evaluate : 8.728 Switching outliers to nearest non-outliers outliers start: 117 outliers final: 0 residues processed: 117 average time/residue: 0.7833 time to fit residues: 188.3613 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1434 random chunks: chunk 1154 optimal weight: 9.9990 chunk 786 optimal weight: 10.0000 chunk 20 optimal weight: 10.0000 chunk 1032 optimal weight: 9.9990 chunk 571 optimal weight: 50.0000 chunk 1182 optimal weight: 5.9990 chunk 958 optimal weight: 30.0000 chunk 1 optimal weight: 5.9990 chunk 707 optimal weight: 9.9990 chunk 1244 optimal weight: 7.9990 chunk 349 optimal weight: 9.9990 overall best weight: 7.9990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: a 252 ASN e 11 ASN ** L 43 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 11 ASN g 133 HIS h 77 GLN h 94 GLN h 172 ASN h 367 ASN k 77 GLN k 94 GLN j 5 HIS j 122 ASN j 172 ASN i 77 GLN m 197 ASN ** n 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 252 ASN s 133 HIS q 5 HIS ** q 44 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 252 ASN ** p 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 252 ASN t 133 HIS t 350 GLN x 77 GLN x 350 GLN w 377 GLN v 77 GLN v 133 HIS u 350 GLN Total number of N/Q/H flips: 28 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8276 moved from start: 0.3384 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 0.064 112200 Z= 0.488 Angle : 0.687 10.067 152856 Z= 0.355 Chirality : 0.050 0.250 17550 Planarity : 0.005 0.053 20160 Dihedral : 5.535 33.511 15768 Min Nonbonded Distance : 2.005 Molprobity Statistics. All-atom Clashscore : 10.32 Ramachandran Plot: Outliers : 0.00 % Allowed : 8.24 % Favored : 91.76 % Rotamer Outliers : 2.17 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.01 % 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: -2.51 (0.07), residues: 14412 helix: -1.17 (0.07), residues: 4914 sheet: -2.94 (0.12), residues: 1554 loop : -1.70 (0.07), residues: 7944 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28824 Ramachandran restraints generated. 14412 Oldfield, 0 Emsley, 14412 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28824 Ramachandran restraints generated. 14412 Oldfield, 0 Emsley, 14412 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1633 residues out of total 11388 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 247 poor density : 1386 time to evaluate : 8.686 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 247 outliers final: 134 residues processed: 1559 average time/residue: 0.9602 time to fit residues: 2576.1045 Evaluate side-chains 1430 residues out of total 11388 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 134 poor density : 1296 time to evaluate : 7.814 Switching outliers to nearest non-outliers outliers start: 134 outliers final: 0 residues processed: 134 average time/residue: 0.7591 time to fit residues: 211.6283 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1434 random chunks: chunk 466 optimal weight: 30.0000 chunk 1248 optimal weight: 0.9990 chunk 273 optimal weight: 7.9990 chunk 813 optimal weight: 0.7980 chunk 342 optimal weight: 9.9990 chunk 1387 optimal weight: 0.8980 chunk 1151 optimal weight: 3.9990 chunk 642 optimal weight: 4.9990 chunk 115 optimal weight: 50.0000 chunk 458 optimal weight: 20.0000 chunk 728 optimal weight: 9.9990 overall best weight: 2.3386 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: b 137 GLN f 11 ASN f 367 ASN d 252 ASN g 11 ASN g 172 ASN g 350 GLN ** g 367 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 369 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 77 GLN h 350 GLN l 77 GLN k 77 GLN j 350 GLN i 77 GLN i 172 ASN i 252 ASN X 240 GLN V 240 GLN ** n 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 197 ASN n 252 ASN q 44 ASN ** q 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 252 ASN p 44 ASN p 122 ASN Total number of N/Q/H flips: 23 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8189 moved from start: 0.3456 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.044 112200 Z= 0.188 Angle : 0.550 10.674 152856 Z= 0.283 Chirality : 0.044 0.168 17550 Planarity : 0.004 0.051 20160 Dihedral : 4.971 27.386 15768 Min Nonbonded Distance : 2.037 Molprobity Statistics. All-atom Clashscore : 9.00 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.25 % Favored : 93.75 % Rotamer Outliers : 1.25 % 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: -1.98 (0.07), residues: 14412 helix: -0.60 (0.07), residues: 4854 sheet: -2.31 (0.13), residues: 1338 loop : -1.59 (0.07), residues: 8220 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28824 Ramachandran restraints generated. 14412 Oldfield, 0 Emsley, 14412 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28824 Ramachandran restraints generated. 14412 Oldfield, 0 Emsley, 14412 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1613 residues out of total 11388 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 142 poor density : 1471 time to evaluate : 8.824 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 142 outliers final: 62 residues processed: 1565 average time/residue: 0.9770 time to fit residues: 2635.3877 Evaluate side-chains 1424 residues out of total 11388 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 62 poor density : 1362 time to evaluate : 8.679 Switching outliers to nearest non-outliers outliers start: 62 outliers final: 0 residues processed: 62 average time/residue: 0.7822 time to fit residues: 104.7292 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1434 random chunks: chunk 1337 optimal weight: 9.9990 chunk 156 optimal weight: 20.0000 chunk 790 optimal weight: 10.0000 chunk 1013 optimal weight: 2.9990 chunk 785 optimal weight: 9.9990 chunk 1167 optimal weight: 5.9990 chunk 774 optimal weight: 6.9990 chunk 1382 optimal weight: 0.9980 chunk 864 optimal weight: 30.0000 chunk 842 optimal weight: 0.4980 chunk 638 optimal weight: 50.0000 overall best weight: 3.4986 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** f 251 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 251 ASN S 240 GLN h 5 HIS h 77 GLN h 367 ASN l 77 GLN i 77 GLN i 252 ASN i 377 GLN X 84 GLN W 240 GLN ** n 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 197 ASN n 252 ASN q 44 ASN ** q 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 252 ASN o 11 ASN o 77 GLN t 77 GLN w 77 GLN w 377 GLN u 350 GLN Total number of N/Q/H flips: 21 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8210 moved from start: 0.3607 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.038 112200 Z= 0.249 Angle : 0.567 10.603 152856 Z= 0.290 Chirality : 0.045 0.207 17550 Planarity : 0.004 0.050 20160 Dihedral : 4.950 28.670 15768 Min Nonbonded Distance : 2.037 Molprobity Statistics. All-atom Clashscore : 9.36 Ramachandran Plot: Outliers : 0.00 % Allowed : 7.01 % Favored : 92.99 % Rotamer Outliers : 1.25 % 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: -1.91 (0.07), residues: 14412 helix: -0.39 (0.07), residues: 4902 sheet: -2.77 (0.12), residues: 1578 loop : -1.49 (0.07), residues: 7932 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28824 Ramachandran restraints generated. 14412 Oldfield, 0 Emsley, 14412 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28824 Ramachandran restraints generated. 14412 Oldfield, 0 Emsley, 14412 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1568 residues out of total 11388 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 142 poor density : 1426 time to evaluate : 8.978 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 142 outliers final: 90 residues processed: 1504 average time/residue: 0.9775 time to fit residues: 2531.6429 Evaluate side-chains 1417 residues out of total 11388 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 90 poor density : 1327 time to evaluate : 8.731 Switching outliers to nearest non-outliers outliers start: 90 outliers final: 0 residues processed: 90 average time/residue: 0.7605 time to fit residues: 143.8356 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1434 random chunks: chunk 855 optimal weight: 50.0000 chunk 551 optimal weight: 50.0000 chunk 825 optimal weight: 0.9990 chunk 416 optimal weight: 30.0000 chunk 271 optimal weight: 6.9990 chunk 267 optimal weight: 10.0000 chunk 878 optimal weight: 30.0000 chunk 941 optimal weight: 6.9990 chunk 683 optimal weight: 8.9990 chunk 128 optimal weight: 0.6980 chunk 1086 optimal weight: 0.9990 overall best weight: 3.3388 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: a 252 ASN ** f 251 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 367 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 369 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 5 HIS k 77 GLN k 350 GLN i 77 GLN i 252 ASN T 240 GLN ** n 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 197 ASN ** s 248 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 197 ASN p 44 ASN x 350 GLN w 377 GLN ** v 248 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 350 GLN Total number of N/Q/H flips: 13 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8201 moved from start: 0.3728 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.043 112200 Z= 0.238 Angle : 0.563 9.996 152856 Z= 0.288 Chirality : 0.045 0.186 17550 Planarity : 0.004 0.053 20160 Dihedral : 4.890 27.517 15768 Min Nonbonded Distance : 2.051 Molprobity Statistics. All-atom Clashscore : 9.33 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.61 % Favored : 93.39 % Rotamer Outliers : 0.76 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.77 (0.07), residues: 14412 helix: -0.21 (0.08), residues: 4896 sheet: -2.73 (0.12), residues: 1578 loop : -1.44 (0.07), residues: 7938 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28824 Ramachandran restraints generated. 14412 Oldfield, 0 Emsley, 14412 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28824 Ramachandran restraints generated. 14412 Oldfield, 0 Emsley, 14412 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1516 residues out of total 11388 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 86 poor density : 1430 time to evaluate : 8.679 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 86 outliers final: 49 residues processed: 1480 average time/residue: 0.9944 time to fit residues: 2533.5585 Evaluate side-chains 1412 residues out of total 11388 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 49 poor density : 1363 time to evaluate : 8.679 Switching outliers to nearest non-outliers outliers start: 49 outliers final: 0 residues processed: 49 average time/residue: 0.7791 time to fit residues: 85.5742 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1434 random chunks: chunk 1257 optimal weight: 6.9990 chunk 1324 optimal weight: 4.9990 chunk 1208 optimal weight: 9.9990 chunk 1287 optimal weight: 3.9990 chunk 1323 optimal weight: 0.1980 chunk 775 optimal weight: 0.2980 chunk 561 optimal weight: 40.0000 chunk 1011 optimal weight: 9.9990 chunk 395 optimal weight: 0.3980 chunk 1163 optimal weight: 8.9990 chunk 1218 optimal weight: 2.9990 overall best weight: 1.5784 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: f 11 ASN ** f 251 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 367 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 369 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 5 HIS l 5 HIS l 77 GLN k 77 GLN j 5 HIS i 77 GLN i 252 ASN n 122 ASN n 197 ASN ** q 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 197 ASN ** t 77 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 350 GLN u 350 GLN Total number of N/Q/H flips: 13 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8156 moved from start: 0.3816 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.002 0.053 112200 Z= 0.159 Angle : 0.533 9.570 152856 Z= 0.272 Chirality : 0.043 0.183 17550 Planarity : 0.004 0.061 20160 Dihedral : 4.654 27.195 15768 Min Nonbonded Distance : 2.046 Molprobity Statistics. All-atom Clashscore : 9.09 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.48 % Favored : 93.52 % Rotamer Outliers : 0.51 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.59 (0.07), residues: 14412 helix: -0.08 (0.07), residues: 5124 sheet: -2.15 (0.14), residues: 1338 loop : -1.52 (0.07), residues: 7950 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28824 Ramachandran restraints generated. 14412 Oldfield, 0 Emsley, 14412 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28824 Ramachandran restraints generated. 14412 Oldfield, 0 Emsley, 14412 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1540 residues out of total 11388 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 58 poor density : 1482 time to evaluate : 8.705 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 58 outliers final: 36 residues processed: 1525 average time/residue: 1.0002 time to fit residues: 2635.5780 Evaluate side-chains 1410 residues out of total 11388 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 36 poor density : 1374 time to evaluate : 8.669 Switching outliers to nearest non-outliers outliers start: 36 outliers final: 0 residues processed: 36 average time/residue: 0.7652 time to fit residues: 65.8765 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1434 random chunks: chunk 1283 optimal weight: 9.9990 chunk 845 optimal weight: 40.0000 chunk 1361 optimal weight: 4.9990 chunk 831 optimal weight: 3.9990 chunk 646 optimal weight: 5.9990 chunk 946 optimal weight: 40.0000 chunk 1428 optimal weight: 9.9990 chunk 1314 optimal weight: 3.9990 chunk 1137 optimal weight: 1.9990 chunk 118 optimal weight: 9.9990 chunk 878 optimal weight: 5.9990 overall best weight: 4.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: b 160 ASN ** f 251 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 94 GLN L 23 HIS I 23 HIS h 5 HIS l 5 HIS l 77 GLN ** j 5 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** n 197 ASN n 252 ASN s 327 ASN s 377 GLN ** q 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 252 ASN ** t 77 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 350 GLN v 377 GLN u 77 GLN u 350 GLN Total number of N/Q/H flips: 16 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8214 moved from start: 0.3916 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.043 112200 Z= 0.284 Angle : 0.586 11.428 152856 Z= 0.299 Chirality : 0.046 0.281 17550 Planarity : 0.004 0.053 20160 Dihedral : 4.875 30.080 15768 Min Nonbonded Distance : 2.036 Molprobity Statistics. All-atom Clashscore : 9.55 Ramachandran Plot: Outliers : 0.00 % Allowed : 7.09 % Favored : 92.91 % Rotamer Outliers : 0.51 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.01 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.63 (0.07), residues: 14412 helix: -0.13 (0.07), residues: 5070 sheet: -2.19 (0.14), residues: 1326 loop : -1.52 (0.07), residues: 8016 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28824 Ramachandran restraints generated. 14412 Oldfield, 0 Emsley, 14412 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28824 Ramachandran restraints generated. 14412 Oldfield, 0 Emsley, 14412 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1453 residues out of total 11388 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 58 poor density : 1395 time to evaluate : 8.904 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 58 outliers final: 36 residues processed: 1423 average time/residue: 0.9886 time to fit residues: 2423.3524 Evaluate side-chains 1377 residues out of total 11388 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 36 poor density : 1341 time to evaluate : 8.654 Switching outliers to nearest non-outliers outliers start: 36 outliers final: 0 residues processed: 36 average time/residue: 0.7717 time to fit residues: 65.1692 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1434 random chunks: chunk 697 optimal weight: 9.9990 chunk 903 optimal weight: 4.9990 chunk 1211 optimal weight: 6.9990 chunk 348 optimal weight: 10.0000 chunk 1048 optimal weight: 7.9990 chunk 167 optimal weight: 50.0000 chunk 316 optimal weight: 10.0000 chunk 1139 optimal weight: 8.9990 chunk 476 optimal weight: 40.0000 chunk 1170 optimal weight: 10.0000 chunk 144 optimal weight: 7.9990 overall best weight: 7.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: 2 75 HIS ** b 5 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** b 160 ASN f 11 ASN ** f 251 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 23 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 251 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 5 HIS l 197 ASN k 77 GLN ** j 5 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** n 197 ASN n 252 ASN s 377 GLN ** q 122 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 252 ASN p 197 ASN ** t 77 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 350 GLN v 377 GLN ** u 77 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 350 GLN Total number of N/Q/H flips: 14 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4008 r_free = 0.4008 target = 0.194298 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 60)----------------| | r_work = 0.3219 r_free = 0.3219 target = 0.129351 restraints weight = 128933.093| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 34)----------------| | r_work = 0.3172 r_free = 0.3172 target = 0.124678 restraints weight = 201122.461| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 28)----------------| | r_work = 0.3177 r_free = 0.3177 target = 0.125199 restraints weight = 179276.490| |-----------------------------------------------------------------------------| r_work (final): 0.3039 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8253 moved from start: 0.4159 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 0.065 112200 Z= 0.461 Angle : 0.685 14.777 152856 Z= 0.350 Chirality : 0.050 0.365 17550 Planarity : 0.005 0.087 20160 Dihedral : 5.372 33.900 15768 Min Nonbonded Distance : 2.021 Molprobity Statistics. All-atom Clashscore : 10.78 Ramachandran Plot: Outliers : 0.00 % Allowed : 8.19 % Favored : 91.81 % Rotamer Outliers : 0.38 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.01 % 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: -1.95 (0.07), residues: 14412 helix: -0.41 (0.07), residues: 4926 sheet: -2.72 (0.12), residues: 1566 loop : -1.55 (0.07), residues: 7920 =============================================================================== Job complete usr+sys time: 37360.49 seconds wall clock time: 644 minutes 49.36 seconds (38689.36 seconds total)