Starting phenix.real_space_refine (version: dev) on Wed Apr 6 21:31:23 2022 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7boj_30130/04_2022/7boj_30130.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7boj_30130/04_2022/7boj_30130.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=2.5 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7boj_30130/04_2022/7boj_30130.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7boj_30130/04_2022/7boj_30130.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7boj_30130/04_2022/7boj_30130.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7boj_30130/04_2022/7boj_30130.pdb" } resolution = 2.5 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= 0.001 sd= 0.011 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 Convert atoms to be neutral Process input model Symmetric amino acids flipped None Time to flip residues: 0.29s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4553/modules/chem_data/mon_lib" Total number of atoms: 123525 Number of models: 1 Model: "" Number of chains: 61 Chain: "B" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "A" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "C" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "D" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "E" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "F" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "G" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "H" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "I" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "J" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "K" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "L" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "M" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "N" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "O" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "P" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "Q" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "R" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "S" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "T" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "U" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "V" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "W" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "X" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "Y" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "Z" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "0" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "1" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "2" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "3" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "4" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "5" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "6" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "7" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "8" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "9" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "a" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "b" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "c" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "d" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "e" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "f" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "g" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "h" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "i" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "j" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "k" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "l" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "m" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "n" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "o" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "p" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "q" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "r" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "s" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "t" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "u" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "v" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "w" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "x" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Chain: "y" Number of atoms: 2025 Number of conformers: 1 Conformer: "" Number of residues, atoms: 265, 2025 Classifications: {'peptide': 265} Link IDs: {'PTRANS': 15, 'TRANS': 249} Time building chain proxies: 50.59, per 1000 atoms: 0.41 Number of scatterers: 123525 At special positions: 0 Unit cell: (358.8, 330.72, 240.24, 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 244 16.00 O 24400 8.00 N 21350 7.00 C 77531 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: 34.75 Conformation dependent library (CDL) restraints added in 13.8 seconds 32086 Ramachandran restraints generated. 16043 Oldfield, 0 Emsley, 16043 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 30134 Finding SS restraints... Secondary structure from input PDB file: 610 helices and 244 sheets defined 39.2% alpha, 26.4% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 5.99 Creating SS restraints... Processing helix chain 'A' and resid 5 through 9 Processing helix chain 'A' and resid 12 through 31 Processing helix chain 'A' and resid 32 through 36 Processing helix chain 'A' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL A 92 " --> pdb=" O ASP A 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU A 93 " --> pdb=" O ILE A 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG A 94 " --> pdb=" O ASP A 90 " (cutoff:3.500A) Processing helix chain 'A' and resid 101 through 122 Processing helix chain 'A' and resid 130 through 135 Processing helix chain 'A' and resid 145 through 147 No H-bonds generated for 'chain 'A' and resid 145 through 147' Processing helix chain 'A' and resid 148 through 164 Processing helix chain 'A' and resid 174 through 183 Processing helix chain 'A' and resid 191 through 197 Processing helix chain 'B' and resid 5 through 9 Processing helix chain 'B' and resid 12 through 31 Processing helix chain 'B' and resid 32 through 36 Processing helix chain 'B' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL B 92 " --> pdb=" O ASP B 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU B 93 " --> pdb=" O ILE B 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG B 94 " --> pdb=" O ASP B 90 " (cutoff:3.500A) Processing helix chain 'B' and resid 101 through 122 Processing helix chain 'B' and resid 130 through 135 Processing helix chain 'B' and resid 145 through 147 No H-bonds generated for 'chain 'B' and resid 145 through 147' Processing helix chain 'B' and resid 148 through 164 Processing helix chain 'B' and resid 174 through 183 Processing helix chain 'B' and resid 191 through 197 Processing helix chain 'C' and resid 5 through 9 Processing helix chain 'C' and resid 12 through 31 Processing helix chain 'C' and resid 32 through 36 Processing helix chain 'C' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL C 92 " --> pdb=" O ASP C 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU C 93 " --> pdb=" O ILE C 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG C 94 " --> pdb=" O ASP C 90 " (cutoff:3.500A) Processing helix chain 'C' and resid 101 through 122 Processing helix chain 'C' and resid 130 through 135 Processing helix chain 'C' and resid 145 through 147 No H-bonds generated for 'chain 'C' and resid 145 through 147' Processing helix chain 'C' and resid 148 through 164 Processing helix chain 'C' and resid 174 through 183 Processing helix chain 'C' and resid 191 through 197 Processing helix chain 'D' and resid 5 through 9 Processing helix chain 'D' and resid 12 through 31 Processing helix chain 'D' and resid 32 through 36 Processing helix chain 'D' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL D 92 " --> pdb=" O ASP D 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU D 93 " --> pdb=" O ILE D 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG D 94 " --> pdb=" O ASP D 90 " (cutoff:3.500A) Processing helix chain 'D' and resid 101 through 122 Processing helix chain 'D' and resid 130 through 135 Processing helix chain 'D' and resid 145 through 147 No H-bonds generated for 'chain 'D' and resid 145 through 147' Processing helix chain 'D' and resid 148 through 164 Processing helix chain 'D' and resid 174 through 183 Processing helix chain 'D' and resid 191 through 197 Processing helix chain 'E' and resid 5 through 9 Processing helix chain 'E' and resid 12 through 31 Processing helix chain 'E' and resid 32 through 36 Processing helix chain 'E' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL E 92 " --> pdb=" O ASP E 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU E 93 " --> pdb=" O ILE E 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG E 94 " --> pdb=" O ASP E 90 " (cutoff:3.500A) Processing helix chain 'E' and resid 101 through 122 Processing helix chain 'E' and resid 130 through 135 Processing helix chain 'E' and resid 145 through 147 No H-bonds generated for 'chain 'E' and resid 145 through 147' Processing helix chain 'E' and resid 148 through 164 Processing helix chain 'E' and resid 174 through 183 Processing helix chain 'E' and resid 191 through 197 Processing helix chain 'F' and resid 5 through 9 Processing helix chain 'F' and resid 12 through 31 Processing helix chain 'F' and resid 32 through 36 Processing helix chain 'F' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL F 92 " --> pdb=" O ASP F 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU F 93 " --> pdb=" O ILE F 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG F 94 " --> pdb=" O ASP F 90 " (cutoff:3.500A) Processing helix chain 'F' and resid 101 through 122 Processing helix chain 'F' and resid 130 through 135 Processing helix chain 'F' and resid 145 through 147 No H-bonds generated for 'chain 'F' and resid 145 through 147' Processing helix chain 'F' and resid 148 through 164 Processing helix chain 'F' and resid 174 through 183 Processing helix chain 'F' and resid 191 through 197 Processing helix chain 'G' and resid 5 through 9 Processing helix chain 'G' and resid 12 through 31 Processing helix chain 'G' and resid 32 through 36 Processing helix chain 'G' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL G 92 " --> pdb=" O ASP G 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU G 93 " --> pdb=" O ILE G 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG G 94 " --> pdb=" O ASP G 90 " (cutoff:3.500A) Processing helix chain 'G' and resid 101 through 122 Processing helix chain 'G' and resid 130 through 135 Processing helix chain 'G' and resid 145 through 147 No H-bonds generated for 'chain 'G' and resid 145 through 147' Processing helix chain 'G' and resid 148 through 164 Processing helix chain 'G' and resid 174 through 183 Processing helix chain 'G' and resid 191 through 197 Processing helix chain 'H' and resid 5 through 9 Processing helix chain 'H' and resid 12 through 31 Processing helix chain 'H' and resid 32 through 36 Processing helix chain 'H' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL H 92 " --> pdb=" O ASP H 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU H 93 " --> pdb=" O ILE H 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG H 94 " --> pdb=" O ASP H 90 " (cutoff:3.500A) Processing helix chain 'H' and resid 101 through 122 Processing helix chain 'H' and resid 130 through 135 Processing helix chain 'H' and resid 145 through 147 No H-bonds generated for 'chain 'H' and resid 145 through 147' Processing helix chain 'H' and resid 148 through 164 Processing helix chain 'H' and resid 174 through 183 Processing helix chain 'H' and resid 191 through 197 Processing helix chain 'I' and resid 5 through 9 Processing helix chain 'I' and resid 12 through 31 Processing helix chain 'I' and resid 32 through 36 Processing helix chain 'I' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL I 92 " --> pdb=" O ASP I 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU I 93 " --> pdb=" O ILE I 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG I 94 " --> pdb=" O ASP I 90 " (cutoff:3.500A) Processing helix chain 'I' and resid 101 through 122 Processing helix chain 'I' and resid 130 through 135 Processing helix chain 'I' and resid 145 through 147 No H-bonds generated for 'chain 'I' and resid 145 through 147' Processing helix chain 'I' and resid 148 through 164 Processing helix chain 'I' and resid 174 through 183 Processing helix chain 'I' and resid 191 through 197 Processing helix chain 'J' and resid 5 through 9 Processing helix chain 'J' and resid 12 through 31 Processing helix chain 'J' and resid 32 through 36 Processing helix chain 'J' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL J 92 " --> pdb=" O ASP J 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU J 93 " --> pdb=" O ILE J 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG J 94 " --> pdb=" O ASP J 90 " (cutoff:3.500A) Processing helix chain 'J' and resid 101 through 122 Processing helix chain 'J' and resid 130 through 135 Processing helix chain 'J' and resid 145 through 147 No H-bonds generated for 'chain 'J' and resid 145 through 147' Processing helix chain 'J' and resid 148 through 164 Processing helix chain 'J' and resid 174 through 183 Processing helix chain 'J' and resid 191 through 197 Processing helix chain 'K' and resid 5 through 9 Processing helix chain 'K' and resid 12 through 31 Processing helix chain 'K' and resid 32 through 36 Processing helix chain 'K' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL K 92 " --> pdb=" O ASP K 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU K 93 " --> pdb=" O ILE K 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG K 94 " --> pdb=" O ASP K 90 " (cutoff:3.500A) Processing helix chain 'K' and resid 101 through 122 Processing helix chain 'K' and resid 130 through 135 Processing helix chain 'K' and resid 145 through 147 No H-bonds generated for 'chain 'K' and resid 145 through 147' Processing helix chain 'K' and resid 148 through 164 Processing helix chain 'K' and resid 174 through 183 Processing helix chain 'K' and resid 191 through 197 Processing helix chain 'L' and resid 5 through 9 Processing helix chain 'L' and resid 12 through 31 Processing helix chain 'L' and resid 32 through 36 Processing helix chain 'L' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL L 92 " --> pdb=" O ASP L 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU L 93 " --> pdb=" O ILE L 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG L 94 " --> pdb=" O ASP L 90 " (cutoff:3.500A) Processing helix chain 'L' and resid 101 through 122 Processing helix chain 'L' and resid 130 through 135 Processing helix chain 'L' and resid 145 through 147 No H-bonds generated for 'chain 'L' and resid 145 through 147' Processing helix chain 'L' and resid 148 through 164 Processing helix chain 'L' and resid 174 through 183 Processing helix chain 'L' and resid 191 through 197 Processing helix chain 'M' and resid 5 through 9 Processing helix chain 'M' and resid 12 through 31 Processing helix chain 'M' and resid 32 through 36 Processing helix chain 'M' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL M 92 " --> pdb=" O ASP M 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU M 93 " --> pdb=" O ILE M 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG M 94 " --> pdb=" O ASP M 90 " (cutoff:3.500A) Processing helix chain 'M' and resid 101 through 122 Processing helix chain 'M' and resid 130 through 135 Processing helix chain 'M' and resid 145 through 147 No H-bonds generated for 'chain 'M' and resid 145 through 147' Processing helix chain 'M' and resid 148 through 164 Processing helix chain 'M' and resid 174 through 183 Processing helix chain 'M' and resid 191 through 197 Processing helix chain 'N' and resid 5 through 9 Processing helix chain 'N' and resid 12 through 31 Processing helix chain 'N' and resid 32 through 36 Processing helix chain 'N' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL N 92 " --> pdb=" O ASP N 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU N 93 " --> pdb=" O ILE N 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG N 94 " --> pdb=" O ASP N 90 " (cutoff:3.500A) Processing helix chain 'N' and resid 101 through 122 Processing helix chain 'N' and resid 130 through 135 Processing helix chain 'N' and resid 145 through 147 No H-bonds generated for 'chain 'N' and resid 145 through 147' Processing helix chain 'N' and resid 148 through 164 Processing helix chain 'N' and resid 174 through 183 Processing helix chain 'N' and resid 191 through 197 Processing helix chain 'O' and resid 5 through 9 Processing helix chain 'O' and resid 12 through 31 Processing helix chain 'O' and resid 32 through 36 Processing helix chain 'O' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL O 92 " --> pdb=" O ASP O 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU O 93 " --> pdb=" O ILE O 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG O 94 " --> pdb=" O ASP O 90 " (cutoff:3.500A) Processing helix chain 'O' and resid 101 through 122 Processing helix chain 'O' and resid 130 through 135 Processing helix chain 'O' and resid 145 through 147 No H-bonds generated for 'chain 'O' and resid 145 through 147' Processing helix chain 'O' and resid 148 through 164 Processing helix chain 'O' and resid 174 through 183 Processing helix chain 'O' and resid 191 through 197 Processing helix chain 'P' and resid 5 through 9 Processing helix chain 'P' and resid 12 through 31 Processing helix chain 'P' and resid 32 through 36 Processing helix chain 'P' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL P 92 " --> pdb=" O ASP P 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU P 93 " --> pdb=" O ILE P 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG P 94 " --> pdb=" O ASP P 90 " (cutoff:3.500A) Processing helix chain 'P' and resid 101 through 122 Processing helix chain 'P' and resid 130 through 135 Processing helix chain 'P' and resid 145 through 147 No H-bonds generated for 'chain 'P' and resid 145 through 147' Processing helix chain 'P' and resid 148 through 164 Processing helix chain 'P' and resid 174 through 183 Processing helix chain 'P' and resid 191 through 197 Processing helix chain 'Q' and resid 5 through 9 Processing helix chain 'Q' and resid 12 through 31 Processing helix chain 'Q' and resid 32 through 36 Processing helix chain 'Q' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL Q 92 " --> pdb=" O ASP Q 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU Q 93 " --> pdb=" O ILE Q 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG Q 94 " --> pdb=" O ASP Q 90 " (cutoff:3.500A) Processing helix chain 'Q' and resid 101 through 122 Processing helix chain 'Q' and resid 130 through 135 Processing helix chain 'Q' and resid 145 through 147 No H-bonds generated for 'chain 'Q' and resid 145 through 147' Processing helix chain 'Q' and resid 148 through 164 Processing helix chain 'Q' and resid 174 through 183 Processing helix chain 'Q' and resid 191 through 197 Processing helix chain 'R' and resid 5 through 9 Processing helix chain 'R' and resid 12 through 31 Processing helix chain 'R' and resid 32 through 36 Processing helix chain 'R' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL R 92 " --> pdb=" O ASP R 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU R 93 " --> pdb=" O ILE R 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG R 94 " --> pdb=" O ASP R 90 " (cutoff:3.500A) Processing helix chain 'R' and resid 101 through 122 Processing helix chain 'R' and resid 130 through 135 Processing helix chain 'R' and resid 145 through 147 No H-bonds generated for 'chain 'R' and resid 145 through 147' Processing helix chain 'R' and resid 148 through 164 Processing helix chain 'R' and resid 174 through 183 Processing helix chain 'R' and resid 191 through 197 Processing helix chain 'S' and resid 5 through 9 Processing helix chain 'S' and resid 12 through 31 Processing helix chain 'S' and resid 32 through 36 Processing helix chain 'S' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL S 92 " --> pdb=" O ASP S 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU S 93 " --> pdb=" O ILE S 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG S 94 " --> pdb=" O ASP S 90 " (cutoff:3.500A) Processing helix chain 'S' and resid 101 through 122 Processing helix chain 'S' and resid 130 through 135 Processing helix chain 'S' and resid 145 through 147 No H-bonds generated for 'chain 'S' and resid 145 through 147' Processing helix chain 'S' and resid 148 through 164 Processing helix chain 'S' and resid 174 through 183 Processing helix chain 'S' and resid 191 through 197 Processing helix chain 'T' and resid 5 through 9 Processing helix chain 'T' and resid 12 through 31 Processing helix chain 'T' and resid 32 through 36 Processing helix chain 'T' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL T 92 " --> pdb=" O ASP T 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU T 93 " --> pdb=" O ILE T 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG T 94 " --> pdb=" O ASP T 90 " (cutoff:3.500A) Processing helix chain 'T' and resid 101 through 122 Processing helix chain 'T' and resid 130 through 135 Processing helix chain 'T' and resid 145 through 147 No H-bonds generated for 'chain 'T' and resid 145 through 147' Processing helix chain 'T' and resid 148 through 164 Processing helix chain 'T' and resid 174 through 183 Processing helix chain 'T' and resid 191 through 197 Processing helix chain 'U' and resid 5 through 9 Processing helix chain 'U' and resid 12 through 31 Processing helix chain 'U' and resid 32 through 36 Processing helix chain 'U' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL U 92 " --> pdb=" O ASP U 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU U 93 " --> pdb=" O ILE U 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG U 94 " --> pdb=" O ASP U 90 " (cutoff:3.500A) Processing helix chain 'U' and resid 101 through 122 Processing helix chain 'U' and resid 130 through 135 Processing helix chain 'U' and resid 145 through 147 No H-bonds generated for 'chain 'U' and resid 145 through 147' Processing helix chain 'U' and resid 148 through 164 Processing helix chain 'U' and resid 174 through 183 Processing helix chain 'U' and resid 191 through 197 Processing helix chain 'V' and resid 5 through 9 Processing helix chain 'V' and resid 12 through 31 Processing helix chain 'V' and resid 32 through 36 Processing helix chain 'V' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL V 92 " --> pdb=" O ASP V 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU V 93 " --> pdb=" O ILE V 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG V 94 " --> pdb=" O ASP V 90 " (cutoff:3.500A) Processing helix chain 'V' and resid 101 through 122 Processing helix chain 'V' and resid 130 through 135 Processing helix chain 'V' and resid 145 through 147 No H-bonds generated for 'chain 'V' and resid 145 through 147' Processing helix chain 'V' and resid 148 through 164 Processing helix chain 'V' and resid 174 through 183 Processing helix chain 'V' and resid 191 through 197 Processing helix chain 'W' and resid 5 through 9 Processing helix chain 'W' and resid 12 through 31 Processing helix chain 'W' and resid 32 through 36 Processing helix chain 'W' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL W 92 " --> pdb=" O ASP W 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU W 93 " --> pdb=" O ILE W 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG W 94 " --> pdb=" O ASP W 90 " (cutoff:3.500A) Processing helix chain 'W' and resid 101 through 122 Processing helix chain 'W' and resid 130 through 135 Processing helix chain 'W' and resid 145 through 147 No H-bonds generated for 'chain 'W' and resid 145 through 147' Processing helix chain 'W' and resid 148 through 164 Processing helix chain 'W' and resid 174 through 183 Processing helix chain 'W' and resid 191 through 197 Processing helix chain 'X' and resid 5 through 9 Processing helix chain 'X' and resid 12 through 31 Processing helix chain 'X' and resid 32 through 36 Processing helix chain 'X' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL X 92 " --> pdb=" O ASP X 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU X 93 " --> pdb=" O ILE X 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG X 94 " --> pdb=" O ASP X 90 " (cutoff:3.500A) Processing helix chain 'X' and resid 101 through 122 Processing helix chain 'X' and resid 130 through 135 Processing helix chain 'X' and resid 145 through 147 No H-bonds generated for 'chain 'X' and resid 145 through 147' Processing helix chain 'X' and resid 148 through 164 Processing helix chain 'X' and resid 174 through 183 Processing helix chain 'X' and resid 191 through 197 Processing helix chain 'Y' and resid 5 through 9 Processing helix chain 'Y' and resid 12 through 31 Processing helix chain 'Y' and resid 32 through 36 Processing helix chain 'Y' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL Y 92 " --> pdb=" O ASP Y 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU Y 93 " --> pdb=" O ILE Y 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG Y 94 " --> pdb=" O ASP Y 90 " (cutoff:3.500A) Processing helix chain 'Y' and resid 101 through 122 Processing helix chain 'Y' and resid 130 through 135 Processing helix chain 'Y' and resid 145 through 147 No H-bonds generated for 'chain 'Y' and resid 145 through 147' Processing helix chain 'Y' and resid 148 through 164 Processing helix chain 'Y' and resid 174 through 183 Processing helix chain 'Y' and resid 191 through 197 Processing helix chain 'Z' and resid 5 through 9 Processing helix chain 'Z' and resid 12 through 31 Processing helix chain 'Z' and resid 32 through 36 Processing helix chain 'Z' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL Z 92 " --> pdb=" O ASP Z 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU Z 93 " --> pdb=" O ILE Z 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG Z 94 " --> pdb=" O ASP Z 90 " (cutoff:3.500A) Processing helix chain 'Z' and resid 101 through 122 Processing helix chain 'Z' and resid 130 through 135 Processing helix chain 'Z' and resid 145 through 147 No H-bonds generated for 'chain 'Z' and resid 145 through 147' Processing helix chain 'Z' and resid 148 through 164 Processing helix chain 'Z' and resid 174 through 183 Processing helix chain 'Z' and resid 191 through 197 Processing helix chain '0' and resid 5 through 9 Processing helix chain '0' and resid 12 through 31 Processing helix chain '0' and resid 32 through 36 Processing helix chain '0' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL 0 92 " --> pdb=" O ASP 0 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU 0 93 " --> pdb=" O ILE 0 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG 0 94 " --> pdb=" O ASP 0 90 " (cutoff:3.500A) Processing helix chain '0' and resid 101 through 122 Processing helix chain '0' and resid 130 through 135 Processing helix chain '0' and resid 145 through 147 No H-bonds generated for 'chain '0' and resid 145 through 147' Processing helix chain '0' and resid 148 through 164 Processing helix chain '0' and resid 174 through 183 Processing helix chain '0' and resid 191 through 197 Processing helix chain '1' and resid 5 through 9 Processing helix chain '1' and resid 12 through 31 Processing helix chain '1' and resid 32 through 36 Processing helix chain '1' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL 1 92 " --> pdb=" O ASP 1 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU 1 93 " --> pdb=" O ILE 1 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG 1 94 " --> pdb=" O ASP 1 90 " (cutoff:3.500A) Processing helix chain '1' and resid 101 through 122 Processing helix chain '1' and resid 130 through 135 Processing helix chain '1' and resid 145 through 147 No H-bonds generated for 'chain '1' and resid 145 through 147' Processing helix chain '1' and resid 148 through 164 Processing helix chain '1' and resid 174 through 183 Processing helix chain '1' and resid 191 through 197 Processing helix chain '2' and resid 5 through 9 Processing helix chain '2' and resid 12 through 31 Processing helix chain '2' and resid 32 through 36 Processing helix chain '2' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL 2 92 " --> pdb=" O ASP 2 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU 2 93 " --> pdb=" O ILE 2 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG 2 94 " --> pdb=" O ASP 2 90 " (cutoff:3.500A) Processing helix chain '2' and resid 101 through 122 Processing helix chain '2' and resid 130 through 135 Processing helix chain '2' and resid 145 through 147 No H-bonds generated for 'chain '2' and resid 145 through 147' Processing helix chain '2' and resid 148 through 164 Processing helix chain '2' and resid 174 through 183 Processing helix chain '2' and resid 191 through 197 Processing helix chain '3' and resid 5 through 9 Processing helix chain '3' and resid 12 through 31 Processing helix chain '3' and resid 32 through 36 Processing helix chain '3' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL 3 92 " --> pdb=" O ASP 3 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU 3 93 " --> pdb=" O ILE 3 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG 3 94 " --> pdb=" O ASP 3 90 " (cutoff:3.500A) Processing helix chain '3' and resid 101 through 122 Processing helix chain '3' and resid 130 through 135 Processing helix chain '3' and resid 145 through 147 No H-bonds generated for 'chain '3' and resid 145 through 147' Processing helix chain '3' and resid 148 through 164 Processing helix chain '3' and resid 174 through 183 Processing helix chain '3' and resid 191 through 197 Processing helix chain '4' and resid 5 through 9 Processing helix chain '4' and resid 12 through 31 Processing helix chain '4' and resid 32 through 36 Processing helix chain '4' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL 4 92 " --> pdb=" O ASP 4 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU 4 93 " --> pdb=" O ILE 4 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG 4 94 " --> pdb=" O ASP 4 90 " (cutoff:3.500A) Processing helix chain '4' and resid 101 through 122 Processing helix chain '4' and resid 130 through 135 Processing helix chain '4' and resid 145 through 147 No H-bonds generated for 'chain '4' and resid 145 through 147' Processing helix chain '4' and resid 148 through 164 Processing helix chain '4' and resid 174 through 183 Processing helix chain '4' and resid 191 through 197 Processing helix chain '5' and resid 5 through 9 Processing helix chain '5' and resid 12 through 31 Processing helix chain '5' and resid 32 through 36 Processing helix chain '5' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL 5 92 " --> pdb=" O ASP 5 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU 5 93 " --> pdb=" O ILE 5 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG 5 94 " --> pdb=" O ASP 5 90 " (cutoff:3.500A) Processing helix chain '5' and resid 101 through 122 Processing helix chain '5' and resid 130 through 135 Processing helix chain '5' and resid 145 through 147 No H-bonds generated for 'chain '5' and resid 145 through 147' Processing helix chain '5' and resid 148 through 164 Processing helix chain '5' and resid 174 through 183 Processing helix chain '5' and resid 191 through 197 Processing helix chain '6' and resid 5 through 9 Processing helix chain '6' and resid 12 through 31 Processing helix chain '6' and resid 32 through 36 Processing helix chain '6' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL 6 92 " --> pdb=" O ASP 6 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU 6 93 " --> pdb=" O ILE 6 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG 6 94 " --> pdb=" O ASP 6 90 " (cutoff:3.500A) Processing helix chain '6' and resid 101 through 122 Processing helix chain '6' and resid 130 through 135 Processing helix chain '6' and resid 145 through 147 No H-bonds generated for 'chain '6' and resid 145 through 147' Processing helix chain '6' and resid 148 through 164 Processing helix chain '6' and resid 174 through 183 Processing helix chain '6' and resid 191 through 197 Processing helix chain '7' and resid 5 through 9 Processing helix chain '7' and resid 12 through 31 Processing helix chain '7' and resid 32 through 36 Processing helix chain '7' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL 7 92 " --> pdb=" O ASP 7 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU 7 93 " --> pdb=" O ILE 7 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG 7 94 " --> pdb=" O ASP 7 90 " (cutoff:3.500A) Processing helix chain '7' and resid 101 through 122 Processing helix chain '7' and resid 130 through 135 Processing helix chain '7' and resid 145 through 147 No H-bonds generated for 'chain '7' and resid 145 through 147' Processing helix chain '7' and resid 148 through 164 Processing helix chain '7' and resid 174 through 183 Processing helix chain '7' and resid 191 through 197 Processing helix chain '8' and resid 5 through 9 Processing helix chain '8' and resid 12 through 31 Processing helix chain '8' and resid 32 through 36 Processing helix chain '8' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL 8 92 " --> pdb=" O ASP 8 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU 8 93 " --> pdb=" O ILE 8 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG 8 94 " --> pdb=" O ASP 8 90 " (cutoff:3.500A) Processing helix chain '8' and resid 101 through 122 Processing helix chain '8' and resid 130 through 135 Processing helix chain '8' and resid 145 through 147 No H-bonds generated for 'chain '8' and resid 145 through 147' Processing helix chain '8' and resid 148 through 164 Processing helix chain '8' and resid 174 through 183 Processing helix chain '8' and resid 191 through 197 Processing helix chain '9' and resid 5 through 9 Processing helix chain '9' and resid 12 through 31 Processing helix chain '9' and resid 32 through 36 Processing helix chain '9' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL 9 92 " --> pdb=" O ASP 9 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU 9 93 " --> pdb=" O ILE 9 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG 9 94 " --> pdb=" O ASP 9 90 " (cutoff:3.500A) Processing helix chain '9' and resid 101 through 122 Processing helix chain '9' and resid 130 through 135 Processing helix chain '9' and resid 145 through 147 No H-bonds generated for 'chain '9' and resid 145 through 147' Processing helix chain '9' and resid 148 through 164 Processing helix chain '9' and resid 174 through 183 Processing helix chain '9' and resid 191 through 197 Processing helix chain 'a' and resid 5 through 9 Processing helix chain 'a' and resid 12 through 31 Processing helix chain 'a' and resid 32 through 36 Processing helix chain 'a' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL a 92 " --> pdb=" O ASP a 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU a 93 " --> pdb=" O ILE a 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG a 94 " --> pdb=" O ASP a 90 " (cutoff:3.500A) Processing helix chain 'a' and resid 101 through 122 Processing helix chain 'a' and resid 130 through 135 Processing helix chain 'a' and resid 145 through 147 No H-bonds generated for 'chain 'a' and resid 145 through 147' Processing helix chain 'a' and resid 148 through 164 Processing helix chain 'a' and resid 174 through 183 Processing helix chain 'a' and resid 191 through 197 Processing helix chain 'b' and resid 5 through 9 Processing helix chain 'b' and resid 12 through 31 Processing helix chain 'b' and resid 32 through 36 Processing helix chain 'b' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL b 92 " --> pdb=" O ASP b 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU b 93 " --> pdb=" O ILE b 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG b 94 " --> pdb=" O ASP b 90 " (cutoff:3.500A) Processing helix chain 'b' and resid 101 through 122 Processing helix chain 'b' and resid 130 through 135 Processing helix chain 'b' and resid 145 through 147 No H-bonds generated for 'chain 'b' and resid 145 through 147' Processing helix chain 'b' and resid 148 through 164 Processing helix chain 'b' and resid 174 through 183 Processing helix chain 'b' and resid 191 through 197 Processing helix chain 'c' and resid 5 through 9 Processing helix chain 'c' and resid 12 through 31 Processing helix chain 'c' and resid 32 through 36 Processing helix chain 'c' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL c 92 " --> pdb=" O ASP c 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU c 93 " --> pdb=" O ILE c 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG c 94 " --> pdb=" O ASP c 90 " (cutoff:3.500A) Processing helix chain 'c' and resid 101 through 122 Processing helix chain 'c' and resid 130 through 135 Processing helix chain 'c' and resid 145 through 147 No H-bonds generated for 'chain 'c' and resid 145 through 147' Processing helix chain 'c' and resid 148 through 164 Processing helix chain 'c' and resid 174 through 183 Processing helix chain 'c' and resid 191 through 197 Processing helix chain 'd' and resid 5 through 9 Processing helix chain 'd' and resid 12 through 31 Processing helix chain 'd' and resid 32 through 36 Processing helix chain 'd' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL d 92 " --> pdb=" O ASP d 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU d 93 " --> pdb=" O ILE d 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG d 94 " --> pdb=" O ASP d 90 " (cutoff:3.500A) Processing helix chain 'd' and resid 101 through 122 Processing helix chain 'd' and resid 130 through 135 Processing helix chain 'd' and resid 145 through 147 No H-bonds generated for 'chain 'd' and resid 145 through 147' Processing helix chain 'd' and resid 148 through 164 Processing helix chain 'd' and resid 174 through 183 Processing helix chain 'd' and resid 191 through 197 Processing helix chain 'e' and resid 5 through 9 Processing helix chain 'e' and resid 12 through 31 Processing helix chain 'e' and resid 32 through 36 Processing helix chain 'e' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL e 92 " --> pdb=" O ASP e 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU e 93 " --> pdb=" O ILE e 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG e 94 " --> pdb=" O ASP e 90 " (cutoff:3.500A) Processing helix chain 'e' and resid 101 through 122 Processing helix chain 'e' and resid 130 through 135 Processing helix chain 'e' and resid 145 through 147 No H-bonds generated for 'chain 'e' and resid 145 through 147' Processing helix chain 'e' and resid 148 through 164 Processing helix chain 'e' and resid 174 through 183 Processing helix chain 'e' and resid 191 through 197 Processing helix chain 'f' and resid 5 through 9 Processing helix chain 'f' and resid 12 through 31 Processing helix chain 'f' and resid 32 through 36 Processing helix chain 'f' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL f 92 " --> pdb=" O ASP f 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU f 93 " --> pdb=" O ILE f 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG f 94 " --> pdb=" O ASP f 90 " (cutoff:3.500A) Processing helix chain 'f' and resid 101 through 122 Processing helix chain 'f' and resid 130 through 135 Processing helix chain 'f' and resid 145 through 147 No H-bonds generated for 'chain 'f' and resid 145 through 147' Processing helix chain 'f' and resid 148 through 164 Processing helix chain 'f' and resid 174 through 183 Processing helix chain 'f' and resid 191 through 197 Processing helix chain 'g' and resid 5 through 9 Processing helix chain 'g' and resid 12 through 31 Processing helix chain 'g' and resid 32 through 36 Processing helix chain 'g' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL g 92 " --> pdb=" O ASP g 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU g 93 " --> pdb=" O ILE g 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG g 94 " --> pdb=" O ASP g 90 " (cutoff:3.500A) Processing helix chain 'g' and resid 101 through 122 Processing helix chain 'g' and resid 130 through 135 Processing helix chain 'g' and resid 145 through 147 No H-bonds generated for 'chain 'g' and resid 145 through 147' Processing helix chain 'g' and resid 148 through 164 Processing helix chain 'g' and resid 174 through 183 Processing helix chain 'g' and resid 191 through 197 Processing helix chain 'h' and resid 5 through 9 Processing helix chain 'h' and resid 12 through 31 Processing helix chain 'h' and resid 32 through 36 Processing helix chain 'h' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL h 92 " --> pdb=" O ASP h 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU h 93 " --> pdb=" O ILE h 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG h 94 " --> pdb=" O ASP h 90 " (cutoff:3.500A) Processing helix chain 'h' and resid 101 through 122 Processing helix chain 'h' and resid 130 through 135 Processing helix chain 'h' and resid 145 through 147 No H-bonds generated for 'chain 'h' and resid 145 through 147' Processing helix chain 'h' and resid 148 through 164 Processing helix chain 'h' and resid 174 through 183 Processing helix chain 'h' and resid 191 through 197 Processing helix chain 'i' and resid 5 through 9 Processing helix chain 'i' and resid 12 through 31 Processing helix chain 'i' and resid 32 through 36 Processing helix chain 'i' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL i 92 " --> pdb=" O ASP i 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU i 93 " --> pdb=" O ILE i 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG i 94 " --> pdb=" O ASP i 90 " (cutoff:3.500A) Processing helix chain 'i' and resid 101 through 122 Processing helix chain 'i' and resid 130 through 135 Processing helix chain 'i' and resid 145 through 147 No H-bonds generated for 'chain 'i' and resid 145 through 147' Processing helix chain 'i' and resid 148 through 164 Processing helix chain 'i' and resid 174 through 183 Processing helix chain 'i' and resid 191 through 197 Processing helix chain 'j' and resid 5 through 9 Processing helix chain 'j' and resid 12 through 31 Processing helix chain 'j' and resid 32 through 36 Processing helix chain 'j' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL j 92 " --> pdb=" O ASP j 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU j 93 " --> pdb=" O ILE j 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG j 94 " --> pdb=" O ASP j 90 " (cutoff:3.500A) Processing helix chain 'j' and resid 101 through 122 Processing helix chain 'j' and resid 130 through 135 Processing helix chain 'j' and resid 145 through 147 No H-bonds generated for 'chain 'j' and resid 145 through 147' Processing helix chain 'j' and resid 148 through 164 Processing helix chain 'j' and resid 174 through 183 Processing helix chain 'j' and resid 191 through 197 Processing helix chain 'k' and resid 5 through 9 Processing helix chain 'k' and resid 12 through 31 Processing helix chain 'k' and resid 32 through 36 Processing helix chain 'k' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL k 92 " --> pdb=" O ASP k 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU k 93 " --> pdb=" O ILE k 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG k 94 " --> pdb=" O ASP k 90 " (cutoff:3.500A) Processing helix chain 'k' and resid 101 through 122 Processing helix chain 'k' and resid 130 through 135 Processing helix chain 'k' and resid 145 through 147 No H-bonds generated for 'chain 'k' and resid 145 through 147' Processing helix chain 'k' and resid 148 through 164 Processing helix chain 'k' and resid 174 through 183 Processing helix chain 'k' and resid 191 through 197 Processing helix chain 'l' and resid 5 through 9 Processing helix chain 'l' and resid 12 through 31 Processing helix chain 'l' and resid 32 through 36 Processing helix chain 'l' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL l 92 " --> pdb=" O ASP l 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU l 93 " --> pdb=" O ILE l 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG l 94 " --> pdb=" O ASP l 90 " (cutoff:3.500A) Processing helix chain 'l' and resid 101 through 122 Processing helix chain 'l' and resid 130 through 135 Processing helix chain 'l' and resid 145 through 147 No H-bonds generated for 'chain 'l' and resid 145 through 147' Processing helix chain 'l' and resid 148 through 164 Processing helix chain 'l' and resid 174 through 183 Processing helix chain 'l' and resid 191 through 197 Processing helix chain 'm' and resid 5 through 9 Processing helix chain 'm' and resid 12 through 31 Processing helix chain 'm' and resid 32 through 36 Processing helix chain 'm' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL m 92 " --> pdb=" O ASP m 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU m 93 " --> pdb=" O ILE m 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG m 94 " --> pdb=" O ASP m 90 " (cutoff:3.500A) Processing helix chain 'm' and resid 101 through 122 Processing helix chain 'm' and resid 130 through 135 Processing helix chain 'm' and resid 145 through 147 No H-bonds generated for 'chain 'm' and resid 145 through 147' Processing helix chain 'm' and resid 148 through 164 Processing helix chain 'm' and resid 174 through 183 Processing helix chain 'm' and resid 191 through 197 Processing helix chain 'n' and resid 5 through 9 Processing helix chain 'n' and resid 12 through 31 Processing helix chain 'n' and resid 32 through 36 Processing helix chain 'n' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL n 92 " --> pdb=" O ASP n 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU n 93 " --> pdb=" O ILE n 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG n 94 " --> pdb=" O ASP n 90 " (cutoff:3.500A) Processing helix chain 'n' and resid 101 through 122 Processing helix chain 'n' and resid 130 through 135 Processing helix chain 'n' and resid 145 through 147 No H-bonds generated for 'chain 'n' and resid 145 through 147' Processing helix chain 'n' and resid 148 through 164 Processing helix chain 'n' and resid 174 through 183 Processing helix chain 'n' and resid 191 through 197 Processing helix chain 'o' and resid 5 through 9 Processing helix chain 'o' and resid 12 through 31 Processing helix chain 'o' and resid 32 through 36 Processing helix chain 'o' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL o 92 " --> pdb=" O ASP o 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU o 93 " --> pdb=" O ILE o 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG o 94 " --> pdb=" O ASP o 90 " (cutoff:3.500A) Processing helix chain 'o' and resid 101 through 122 Processing helix chain 'o' and resid 130 through 135 Processing helix chain 'o' and resid 145 through 147 No H-bonds generated for 'chain 'o' and resid 145 through 147' Processing helix chain 'o' and resid 148 through 164 Processing helix chain 'o' and resid 174 through 183 Processing helix chain 'o' and resid 191 through 197 Processing helix chain 'p' and resid 5 through 9 Processing helix chain 'p' and resid 12 through 31 Processing helix chain 'p' and resid 32 through 36 Processing helix chain 'p' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL p 92 " --> pdb=" O ASP p 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU p 93 " --> pdb=" O ILE p 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG p 94 " --> pdb=" O ASP p 90 " (cutoff:3.500A) Processing helix chain 'p' and resid 101 through 122 Processing helix chain 'p' and resid 130 through 135 Processing helix chain 'p' and resid 145 through 147 No H-bonds generated for 'chain 'p' and resid 145 through 147' Processing helix chain 'p' and resid 148 through 164 Processing helix chain 'p' and resid 174 through 183 Processing helix chain 'p' and resid 191 through 197 Processing helix chain 'q' and resid 5 through 9 Processing helix chain 'q' and resid 12 through 31 Processing helix chain 'q' and resid 32 through 36 Processing helix chain 'q' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL q 92 " --> pdb=" O ASP q 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU q 93 " --> pdb=" O ILE q 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG q 94 " --> pdb=" O ASP q 90 " (cutoff:3.500A) Processing helix chain 'q' and resid 101 through 122 Processing helix chain 'q' and resid 130 through 135 Processing helix chain 'q' and resid 145 through 147 No H-bonds generated for 'chain 'q' and resid 145 through 147' Processing helix chain 'q' and resid 148 through 164 Processing helix chain 'q' and resid 174 through 183 Processing helix chain 'q' and resid 191 through 197 Processing helix chain 'r' and resid 5 through 9 Processing helix chain 'r' and resid 12 through 31 Processing helix chain 'r' and resid 32 through 36 Processing helix chain 'r' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL r 92 " --> pdb=" O ASP r 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU r 93 " --> pdb=" O ILE r 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG r 94 " --> pdb=" O ASP r 90 " (cutoff:3.500A) Processing helix chain 'r' and resid 101 through 122 Processing helix chain 'r' and resid 130 through 135 Processing helix chain 'r' and resid 145 through 147 No H-bonds generated for 'chain 'r' and resid 145 through 147' Processing helix chain 'r' and resid 148 through 164 Processing helix chain 'r' and resid 174 through 183 Processing helix chain 'r' and resid 191 through 197 Processing helix chain 's' and resid 5 through 9 Processing helix chain 's' and resid 12 through 31 Processing helix chain 's' and resid 32 through 36 Processing helix chain 's' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL s 92 " --> pdb=" O ASP s 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU s 93 " --> pdb=" O ILE s 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG s 94 " --> pdb=" O ASP s 90 " (cutoff:3.500A) Processing helix chain 's' and resid 101 through 122 Processing helix chain 's' and resid 130 through 135 Processing helix chain 's' and resid 145 through 147 No H-bonds generated for 'chain 's' and resid 145 through 147' Processing helix chain 's' and resid 148 through 164 Processing helix chain 's' and resid 174 through 183 Processing helix chain 's' and resid 191 through 197 Processing helix chain 't' and resid 5 through 9 Processing helix chain 't' and resid 12 through 31 Processing helix chain 't' and resid 32 through 36 Processing helix chain 't' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL t 92 " --> pdb=" O ASP t 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU t 93 " --> pdb=" O ILE t 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG t 94 " --> pdb=" O ASP t 90 " (cutoff:3.500A) Processing helix chain 't' and resid 101 through 122 Processing helix chain 't' and resid 130 through 135 Processing helix chain 't' and resid 145 through 147 No H-bonds generated for 'chain 't' and resid 145 through 147' Processing helix chain 't' and resid 148 through 164 Processing helix chain 't' and resid 174 through 183 Processing helix chain 't' and resid 191 through 197 Processing helix chain 'u' and resid 5 through 9 Processing helix chain 'u' and resid 12 through 31 Processing helix chain 'u' and resid 32 through 36 Processing helix chain 'u' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL u 92 " --> pdb=" O ASP u 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU u 93 " --> pdb=" O ILE u 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG u 94 " --> pdb=" O ASP u 90 " (cutoff:3.500A) Processing helix chain 'u' and resid 101 through 122 Processing helix chain 'u' and resid 130 through 135 Processing helix chain 'u' and resid 145 through 147 No H-bonds generated for 'chain 'u' and resid 145 through 147' Processing helix chain 'u' and resid 148 through 164 Processing helix chain 'u' and resid 174 through 183 Processing helix chain 'u' and resid 191 through 197 Processing helix chain 'v' and resid 5 through 9 Processing helix chain 'v' and resid 12 through 31 Processing helix chain 'v' and resid 32 through 36 Processing helix chain 'v' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL v 92 " --> pdb=" O ASP v 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU v 93 " --> pdb=" O ILE v 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG v 94 " --> pdb=" O ASP v 90 " (cutoff:3.500A) Processing helix chain 'v' and resid 101 through 122 Processing helix chain 'v' and resid 130 through 135 Processing helix chain 'v' and resid 145 through 147 No H-bonds generated for 'chain 'v' and resid 145 through 147' Processing helix chain 'v' and resid 148 through 164 Processing helix chain 'v' and resid 174 through 183 Processing helix chain 'v' and resid 191 through 197 Processing helix chain 'w' and resid 5 through 9 Processing helix chain 'w' and resid 12 through 31 Processing helix chain 'w' and resid 32 through 36 Processing helix chain 'w' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL w 92 " --> pdb=" O ASP w 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU w 93 " --> pdb=" O ILE w 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG w 94 " --> pdb=" O ASP w 90 " (cutoff:3.500A) Processing helix chain 'w' and resid 101 through 122 Processing helix chain 'w' and resid 130 through 135 Processing helix chain 'w' and resid 145 through 147 No H-bonds generated for 'chain 'w' and resid 145 through 147' Processing helix chain 'w' and resid 148 through 164 Processing helix chain 'w' and resid 174 through 183 Processing helix chain 'w' and resid 191 through 197 Processing helix chain 'x' and resid 5 through 9 Processing helix chain 'x' and resid 12 through 31 Processing helix chain 'x' and resid 32 through 36 Processing helix chain 'x' and resid 86 through 94 removed outlier: 3.782A pdb=" N VAL x 92 " --> pdb=" O ASP x 88 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N GLU x 93 " --> pdb=" O ILE x 89 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ARG x 94 " --> pdb=" O ASP x 90 " (cutoff:3.500A) Processing helix chain 'x' and resid 101 through 122 Processing helix chain 'x' and resid 130 through 135 Processing helix chain 'x' and resid 145 through 147 No H-bonds generated for 'chain 'x' and resid 145 through 147' Processing helix chain 'x' and resid 148 through 164 Processing helix chain 'x' and resid 174 through 183 Processing helix chain 'x' and resid 191 through 197 Processing helix chain 'y' and resid 5 through 9 Processing helix chain 'y' and resid 12 through 31 Processing helix chain 'y' and resid 32 through 36 Processing helix chain 'y' and resid 86 through 94 removed outlier: 3.781A pdb=" N VAL y 92 " --> pdb=" O ASP y 88 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N GLU y 93 " --> pdb=" O ILE y 89 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N ARG y 94 " --> pdb=" O ASP y 90 " (cutoff:3.500A) Processing helix chain 'y' and resid 101 through 122 Processing helix chain 'y' and resid 130 through 135 Processing helix chain 'y' and resid 145 through 147 No H-bonds generated for 'chain 'y' and resid 145 through 147' Processing helix chain 'y' and resid 148 through 164 Processing helix chain 'y' and resid 174 through 183 Processing helix chain 'y' and resid 191 through 197 Processing sheet with id= 1, first strand: chain 'A' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP A 38 " --> pdb=" O LEU A 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU A 226 " --> pdb=" O ASP A 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER A 40 " --> pdb=" O LEU A 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR A 228 " --> pdb=" O SER A 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU A 226 " --> pdb=" O LEU A 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU A 253 " --> pdb=" O LEU A 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR A 228 " --> pdb=" O THR A 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR A 251 " --> pdb=" O THR A 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL A 230 " --> pdb=" O THR A 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR A 249 " --> pdb=" O VAL A 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE A 232 " --> pdb=" O GLU A 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU A 247 " --> pdb=" O ILE A 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR A 234 " --> pdb=" O TYR A 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR A 245 " --> pdb=" O TYR A 234 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR A 52 " --> pdb=" O LYS A 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS A 73 " --> pdb=" O THR A 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS A 54 " --> pdb=" O ASP A 71 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'A' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU A 140 " --> pdb=" O THR A 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE A 204 " --> pdb=" O TYR A 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL A 171 " --> pdb=" O ILE A 204 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'A' and resid 185 through 186 Processing sheet with id= 5, first strand: chain 'B' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP B 38 " --> pdb=" O LEU B 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU B 226 " --> pdb=" O ASP B 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER B 40 " --> pdb=" O LEU B 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR B 228 " --> pdb=" O SER B 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU B 226 " --> pdb=" O LEU B 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU B 253 " --> pdb=" O LEU B 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR B 228 " --> pdb=" O THR B 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR B 251 " --> pdb=" O THR B 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL B 230 " --> pdb=" O THR B 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR B 249 " --> pdb=" O VAL B 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE B 232 " --> pdb=" O GLU B 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU B 247 " --> pdb=" O ILE B 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR B 234 " --> pdb=" O TYR B 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR B 245 " --> pdb=" O TYR B 234 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'B' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR B 52 " --> pdb=" O LYS B 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS B 73 " --> pdb=" O THR B 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS B 54 " --> pdb=" O ASP B 71 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'B' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU B 140 " --> pdb=" O THR B 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE B 204 " --> pdb=" O TYR B 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL B 171 " --> pdb=" O ILE B 204 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'B' and resid 185 through 186 Processing sheet with id= 9, first strand: chain 'C' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP C 38 " --> pdb=" O LEU C 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU C 226 " --> pdb=" O ASP C 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER C 40 " --> pdb=" O LEU C 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR C 228 " --> pdb=" O SER C 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU C 226 " --> pdb=" O LEU C 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU C 253 " --> pdb=" O LEU C 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR C 228 " --> pdb=" O THR C 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR C 251 " --> pdb=" O THR C 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL C 230 " --> pdb=" O THR C 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR C 249 " --> pdb=" O VAL C 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE C 232 " --> pdb=" O GLU C 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU C 247 " --> pdb=" O ILE C 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR C 234 " --> pdb=" O TYR C 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR C 245 " --> pdb=" O TYR C 234 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'C' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR C 52 " --> pdb=" O LYS C 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS C 73 " --> pdb=" O THR C 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS C 54 " --> pdb=" O ASP C 71 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'C' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU C 140 " --> pdb=" O THR C 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE C 204 " --> pdb=" O TYR C 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL C 171 " --> pdb=" O ILE C 204 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'C' and resid 185 through 186 Processing sheet with id= 13, first strand: chain 'D' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP D 38 " --> pdb=" O LEU D 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU D 226 " --> pdb=" O ASP D 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER D 40 " --> pdb=" O LEU D 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR D 228 " --> pdb=" O SER D 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU D 226 " --> pdb=" O LEU D 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU D 253 " --> pdb=" O LEU D 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR D 228 " --> pdb=" O THR D 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR D 251 " --> pdb=" O THR D 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL D 230 " --> pdb=" O THR D 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR D 249 " --> pdb=" O VAL D 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE D 232 " --> pdb=" O GLU D 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU D 247 " --> pdb=" O ILE D 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR D 234 " --> pdb=" O TYR D 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR D 245 " --> pdb=" O TYR D 234 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'D' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR D 52 " --> pdb=" O LYS D 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS D 73 " --> pdb=" O THR D 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS D 54 " --> pdb=" O ASP D 71 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'D' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU D 140 " --> pdb=" O THR D 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE D 204 " --> pdb=" O TYR D 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL D 171 " --> pdb=" O ILE D 204 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'D' and resid 185 through 186 Processing sheet with id= 17, first strand: chain 'E' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP E 38 " --> pdb=" O LEU E 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU E 226 " --> pdb=" O ASP E 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER E 40 " --> pdb=" O LEU E 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR E 228 " --> pdb=" O SER E 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU E 226 " --> pdb=" O LEU E 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU E 253 " --> pdb=" O LEU E 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR E 228 " --> pdb=" O THR E 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR E 251 " --> pdb=" O THR E 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL E 230 " --> pdb=" O THR E 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR E 249 " --> pdb=" O VAL E 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE E 232 " --> pdb=" O GLU E 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU E 247 " --> pdb=" O ILE E 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR E 234 " --> pdb=" O TYR E 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR E 245 " --> pdb=" O TYR E 234 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'E' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR E 52 " --> pdb=" O LYS E 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS E 73 " --> pdb=" O THR E 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS E 54 " --> pdb=" O ASP E 71 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'E' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU E 140 " --> pdb=" O THR E 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE E 204 " --> pdb=" O TYR E 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL E 171 " --> pdb=" O ILE E 204 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'E' and resid 185 through 186 Processing sheet with id= 21, first strand: chain 'F' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP F 38 " --> pdb=" O LEU F 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU F 226 " --> pdb=" O ASP F 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER F 40 " --> pdb=" O LEU F 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR F 228 " --> pdb=" O SER F 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU F 226 " --> pdb=" O LEU F 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU F 253 " --> pdb=" O LEU F 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR F 228 " --> pdb=" O THR F 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR F 251 " --> pdb=" O THR F 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL F 230 " --> pdb=" O THR F 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR F 249 " --> pdb=" O VAL F 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE F 232 " --> pdb=" O GLU F 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU F 247 " --> pdb=" O ILE F 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR F 234 " --> pdb=" O TYR F 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR F 245 " --> pdb=" O TYR F 234 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'F' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR F 52 " --> pdb=" O LYS F 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS F 73 " --> pdb=" O THR F 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS F 54 " --> pdb=" O ASP F 71 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'F' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU F 140 " --> pdb=" O THR F 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE F 204 " --> pdb=" O TYR F 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL F 171 " --> pdb=" O ILE F 204 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'F' and resid 185 through 186 Processing sheet with id= 25, first strand: chain 'G' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP G 38 " --> pdb=" O LEU G 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU G 226 " --> pdb=" O ASP G 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER G 40 " --> pdb=" O LEU G 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR G 228 " --> pdb=" O SER G 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU G 226 " --> pdb=" O LEU G 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU G 253 " --> pdb=" O LEU G 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR G 228 " --> pdb=" O THR G 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR G 251 " --> pdb=" O THR G 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL G 230 " --> pdb=" O THR G 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR G 249 " --> pdb=" O VAL G 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE G 232 " --> pdb=" O GLU G 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU G 247 " --> pdb=" O ILE G 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR G 234 " --> pdb=" O TYR G 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR G 245 " --> pdb=" O TYR G 234 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'G' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR G 52 " --> pdb=" O LYS G 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS G 73 " --> pdb=" O THR G 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS G 54 " --> pdb=" O ASP G 71 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'G' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU G 140 " --> pdb=" O THR G 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE G 204 " --> pdb=" O TYR G 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL G 171 " --> pdb=" O ILE G 204 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'G' and resid 185 through 186 Processing sheet with id= 29, first strand: chain 'H' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP H 38 " --> pdb=" O LEU H 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU H 226 " --> pdb=" O ASP H 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER H 40 " --> pdb=" O LEU H 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR H 228 " --> pdb=" O SER H 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU H 226 " --> pdb=" O LEU H 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU H 253 " --> pdb=" O LEU H 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR H 228 " --> pdb=" O THR H 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR H 251 " --> pdb=" O THR H 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL H 230 " --> pdb=" O THR H 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR H 249 " --> pdb=" O VAL H 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE H 232 " --> pdb=" O GLU H 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU H 247 " --> pdb=" O ILE H 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR H 234 " --> pdb=" O TYR H 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR H 245 " --> pdb=" O TYR H 234 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'H' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR H 52 " --> pdb=" O LYS H 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS H 73 " --> pdb=" O THR H 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS H 54 " --> pdb=" O ASP H 71 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'H' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU H 140 " --> pdb=" O THR H 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE H 204 " --> pdb=" O TYR H 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL H 171 " --> pdb=" O ILE H 204 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'H' and resid 185 through 186 Processing sheet with id= 33, first strand: chain 'I' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP I 38 " --> pdb=" O LEU I 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU I 226 " --> pdb=" O ASP I 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER I 40 " --> pdb=" O LEU I 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR I 228 " --> pdb=" O SER I 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU I 226 " --> pdb=" O LEU I 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU I 253 " --> pdb=" O LEU I 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR I 228 " --> pdb=" O THR I 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR I 251 " --> pdb=" O THR I 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL I 230 " --> pdb=" O THR I 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR I 249 " --> pdb=" O VAL I 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE I 232 " --> pdb=" O GLU I 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU I 247 " --> pdb=" O ILE I 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR I 234 " --> pdb=" O TYR I 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR I 245 " --> pdb=" O TYR I 234 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'I' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR I 52 " --> pdb=" O LYS I 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS I 73 " --> pdb=" O THR I 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS I 54 " --> pdb=" O ASP I 71 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'I' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU I 140 " --> pdb=" O THR I 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE I 204 " --> pdb=" O TYR I 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL I 171 " --> pdb=" O ILE I 204 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'I' and resid 185 through 186 Processing sheet with id= 37, first strand: chain 'J' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP J 38 " --> pdb=" O LEU J 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU J 226 " --> pdb=" O ASP J 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER J 40 " --> pdb=" O LEU J 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR J 228 " --> pdb=" O SER J 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU J 226 " --> pdb=" O LEU J 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU J 253 " --> pdb=" O LEU J 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR J 228 " --> pdb=" O THR J 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR J 251 " --> pdb=" O THR J 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL J 230 " --> pdb=" O THR J 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR J 249 " --> pdb=" O VAL J 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE J 232 " --> pdb=" O GLU J 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU J 247 " --> pdb=" O ILE J 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR J 234 " --> pdb=" O TYR J 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR J 245 " --> pdb=" O TYR J 234 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'J' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR J 52 " --> pdb=" O LYS J 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS J 73 " --> pdb=" O THR J 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS J 54 " --> pdb=" O ASP J 71 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'J' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU J 140 " --> pdb=" O THR J 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE J 204 " --> pdb=" O TYR J 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL J 171 " --> pdb=" O ILE J 204 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'J' and resid 185 through 186 Processing sheet with id= 41, first strand: chain 'K' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP K 38 " --> pdb=" O LEU K 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU K 226 " --> pdb=" O ASP K 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER K 40 " --> pdb=" O LEU K 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR K 228 " --> pdb=" O SER K 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU K 226 " --> pdb=" O LEU K 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU K 253 " --> pdb=" O LEU K 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR K 228 " --> pdb=" O THR K 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR K 251 " --> pdb=" O THR K 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL K 230 " --> pdb=" O THR K 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR K 249 " --> pdb=" O VAL K 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE K 232 " --> pdb=" O GLU K 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU K 247 " --> pdb=" O ILE K 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR K 234 " --> pdb=" O TYR K 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR K 245 " --> pdb=" O TYR K 234 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'K' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR K 52 " --> pdb=" O LYS K 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS K 73 " --> pdb=" O THR K 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS K 54 " --> pdb=" O ASP K 71 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'K' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU K 140 " --> pdb=" O THR K 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE K 204 " --> pdb=" O TYR K 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL K 171 " --> pdb=" O ILE K 204 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'K' and resid 185 through 186 Processing sheet with id= 45, first strand: chain 'L' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP L 38 " --> pdb=" O LEU L 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU L 226 " --> pdb=" O ASP L 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER L 40 " --> pdb=" O LEU L 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR L 228 " --> pdb=" O SER L 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU L 226 " --> pdb=" O LEU L 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU L 253 " --> pdb=" O LEU L 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR L 228 " --> pdb=" O THR L 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR L 251 " --> pdb=" O THR L 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL L 230 " --> pdb=" O THR L 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR L 249 " --> pdb=" O VAL L 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE L 232 " --> pdb=" O GLU L 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU L 247 " --> pdb=" O ILE L 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR L 234 " --> pdb=" O TYR L 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR L 245 " --> pdb=" O TYR L 234 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'L' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR L 52 " --> pdb=" O LYS L 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS L 73 " --> pdb=" O THR L 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS L 54 " --> pdb=" O ASP L 71 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'L' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU L 140 " --> pdb=" O THR L 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE L 204 " --> pdb=" O TYR L 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL L 171 " --> pdb=" O ILE L 204 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'L' and resid 185 through 186 Processing sheet with id= 49, first strand: chain 'M' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP M 38 " --> pdb=" O LEU M 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU M 226 " --> pdb=" O ASP M 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER M 40 " --> pdb=" O LEU M 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR M 228 " --> pdb=" O SER M 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU M 226 " --> pdb=" O LEU M 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU M 253 " --> pdb=" O LEU M 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR M 228 " --> pdb=" O THR M 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR M 251 " --> pdb=" O THR M 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL M 230 " --> pdb=" O THR M 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR M 249 " --> pdb=" O VAL M 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE M 232 " --> pdb=" O GLU M 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU M 247 " --> pdb=" O ILE M 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR M 234 " --> pdb=" O TYR M 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR M 245 " --> pdb=" O TYR M 234 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'M' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR M 52 " --> pdb=" O LYS M 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS M 73 " --> pdb=" O THR M 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS M 54 " --> pdb=" O ASP M 71 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'M' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU M 140 " --> pdb=" O THR M 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE M 204 " --> pdb=" O TYR M 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL M 171 " --> pdb=" O ILE M 204 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'M' and resid 185 through 186 Processing sheet with id= 53, first strand: chain 'N' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP N 38 " --> pdb=" O LEU N 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU N 226 " --> pdb=" O ASP N 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER N 40 " --> pdb=" O LEU N 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR N 228 " --> pdb=" O SER N 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU N 226 " --> pdb=" O LEU N 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU N 253 " --> pdb=" O LEU N 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR N 228 " --> pdb=" O THR N 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR N 251 " --> pdb=" O THR N 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL N 230 " --> pdb=" O THR N 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR N 249 " --> pdb=" O VAL N 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE N 232 " --> pdb=" O GLU N 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU N 247 " --> pdb=" O ILE N 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR N 234 " --> pdb=" O TYR N 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR N 245 " --> pdb=" O TYR N 234 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain 'N' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR N 52 " --> pdb=" O LYS N 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS N 73 " --> pdb=" O THR N 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS N 54 " --> pdb=" O ASP N 71 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain 'N' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU N 140 " --> pdb=" O THR N 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE N 204 " --> pdb=" O TYR N 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL N 171 " --> pdb=" O ILE N 204 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain 'N' and resid 185 through 186 Processing sheet with id= 57, first strand: chain 'O' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP O 38 " --> pdb=" O LEU O 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU O 226 " --> pdb=" O ASP O 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER O 40 " --> pdb=" O LEU O 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR O 228 " --> pdb=" O SER O 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU O 226 " --> pdb=" O LEU O 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU O 253 " --> pdb=" O LEU O 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR O 228 " --> pdb=" O THR O 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR O 251 " --> pdb=" O THR O 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL O 230 " --> pdb=" O THR O 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR O 249 " --> pdb=" O VAL O 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE O 232 " --> pdb=" O GLU O 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU O 247 " --> pdb=" O ILE O 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR O 234 " --> pdb=" O TYR O 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR O 245 " --> pdb=" O TYR O 234 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'O' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR O 52 " --> pdb=" O LYS O 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS O 73 " --> pdb=" O THR O 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS O 54 " --> pdb=" O ASP O 71 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'O' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU O 140 " --> pdb=" O THR O 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE O 204 " --> pdb=" O TYR O 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL O 171 " --> pdb=" O ILE O 204 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'O' and resid 185 through 186 Processing sheet with id= 61, first strand: chain 'P' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP P 38 " --> pdb=" O LEU P 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU P 226 " --> pdb=" O ASP P 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER P 40 " --> pdb=" O LEU P 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR P 228 " --> pdb=" O SER P 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU P 226 " --> pdb=" O LEU P 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU P 253 " --> pdb=" O LEU P 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR P 228 " --> pdb=" O THR P 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR P 251 " --> pdb=" O THR P 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL P 230 " --> pdb=" O THR P 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR P 249 " --> pdb=" O VAL P 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE P 232 " --> pdb=" O GLU P 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU P 247 " --> pdb=" O ILE P 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR P 234 " --> pdb=" O TYR P 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR P 245 " --> pdb=" O TYR P 234 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain 'P' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR P 52 " --> pdb=" O LYS P 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS P 73 " --> pdb=" O THR P 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS P 54 " --> pdb=" O ASP P 71 " (cutoff:3.500A) Processing sheet with id= 63, first strand: chain 'P' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU P 140 " --> pdb=" O THR P 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE P 204 " --> pdb=" O TYR P 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL P 171 " --> pdb=" O ILE P 204 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain 'P' and resid 185 through 186 Processing sheet with id= 65, first strand: chain 'Q' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP Q 38 " --> pdb=" O LEU Q 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU Q 226 " --> pdb=" O ASP Q 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER Q 40 " --> pdb=" O LEU Q 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR Q 228 " --> pdb=" O SER Q 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU Q 226 " --> pdb=" O LEU Q 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU Q 253 " --> pdb=" O LEU Q 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR Q 228 " --> pdb=" O THR Q 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR Q 251 " --> pdb=" O THR Q 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL Q 230 " --> pdb=" O THR Q 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR Q 249 " --> pdb=" O VAL Q 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE Q 232 " --> pdb=" O GLU Q 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU Q 247 " --> pdb=" O ILE Q 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR Q 234 " --> pdb=" O TYR Q 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR Q 245 " --> pdb=" O TYR Q 234 " (cutoff:3.500A) Processing sheet with id= 66, first strand: chain 'Q' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR Q 52 " --> pdb=" O LYS Q 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS Q 73 " --> pdb=" O THR Q 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS Q 54 " --> pdb=" O ASP Q 71 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain 'Q' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU Q 140 " --> pdb=" O THR Q 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE Q 204 " --> pdb=" O TYR Q 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL Q 171 " --> pdb=" O ILE Q 204 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'Q' and resid 185 through 186 Processing sheet with id= 69, first strand: chain 'R' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP R 38 " --> pdb=" O LEU R 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU R 226 " --> pdb=" O ASP R 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER R 40 " --> pdb=" O LEU R 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR R 228 " --> pdb=" O SER R 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU R 226 " --> pdb=" O LEU R 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU R 253 " --> pdb=" O LEU R 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR R 228 " --> pdb=" O THR R 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR R 251 " --> pdb=" O THR R 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL R 230 " --> pdb=" O THR R 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR R 249 " --> pdb=" O VAL R 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE R 232 " --> pdb=" O GLU R 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU R 247 " --> pdb=" O ILE R 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR R 234 " --> pdb=" O TYR R 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR R 245 " --> pdb=" O TYR R 234 " (cutoff:3.500A) Processing sheet with id= 70, first strand: chain 'R' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR R 52 " --> pdb=" O LYS R 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS R 73 " --> pdb=" O THR R 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS R 54 " --> pdb=" O ASP R 71 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain 'R' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU R 140 " --> pdb=" O THR R 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE R 204 " --> pdb=" O TYR R 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL R 171 " --> pdb=" O ILE R 204 " (cutoff:3.500A) Processing sheet with id= 72, first strand: chain 'R' and resid 185 through 186 Processing sheet with id= 73, first strand: chain 'S' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP S 38 " --> pdb=" O LEU S 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU S 226 " --> pdb=" O ASP S 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER S 40 " --> pdb=" O LEU S 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR S 228 " --> pdb=" O SER S 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU S 226 " --> pdb=" O LEU S 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU S 253 " --> pdb=" O LEU S 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR S 228 " --> pdb=" O THR S 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR S 251 " --> pdb=" O THR S 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL S 230 " --> pdb=" O THR S 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR S 249 " --> pdb=" O VAL S 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE S 232 " --> pdb=" O GLU S 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU S 247 " --> pdb=" O ILE S 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR S 234 " --> pdb=" O TYR S 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR S 245 " --> pdb=" O TYR S 234 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'S' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR S 52 " --> pdb=" O LYS S 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS S 73 " --> pdb=" O THR S 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS S 54 " --> pdb=" O ASP S 71 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain 'S' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU S 140 " --> pdb=" O THR S 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE S 204 " --> pdb=" O TYR S 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL S 171 " --> pdb=" O ILE S 204 " (cutoff:3.500A) Processing sheet with id= 76, first strand: chain 'S' and resid 185 through 186 Processing sheet with id= 77, first strand: chain 'T' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP T 38 " --> pdb=" O LEU T 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU T 226 " --> pdb=" O ASP T 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER T 40 " --> pdb=" O LEU T 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR T 228 " --> pdb=" O SER T 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU T 226 " --> pdb=" O LEU T 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU T 253 " --> pdb=" O LEU T 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR T 228 " --> pdb=" O THR T 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR T 251 " --> pdb=" O THR T 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL T 230 " --> pdb=" O THR T 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR T 249 " --> pdb=" O VAL T 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE T 232 " --> pdb=" O GLU T 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU T 247 " --> pdb=" O ILE T 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR T 234 " --> pdb=" O TYR T 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR T 245 " --> pdb=" O TYR T 234 " (cutoff:3.500A) Processing sheet with id= 78, first strand: chain 'T' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR T 52 " --> pdb=" O LYS T 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS T 73 " --> pdb=" O THR T 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS T 54 " --> pdb=" O ASP T 71 " (cutoff:3.500A) Processing sheet with id= 79, first strand: chain 'T' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU T 140 " --> pdb=" O THR T 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE T 204 " --> pdb=" O TYR T 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL T 171 " --> pdb=" O ILE T 204 " (cutoff:3.500A) Processing sheet with id= 80, first strand: chain 'T' and resid 185 through 186 Processing sheet with id= 81, first strand: chain 'U' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP U 38 " --> pdb=" O LEU U 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU U 226 " --> pdb=" O ASP U 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER U 40 " --> pdb=" O LEU U 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR U 228 " --> pdb=" O SER U 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU U 226 " --> pdb=" O LEU U 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU U 253 " --> pdb=" O LEU U 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR U 228 " --> pdb=" O THR U 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR U 251 " --> pdb=" O THR U 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL U 230 " --> pdb=" O THR U 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR U 249 " --> pdb=" O VAL U 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE U 232 " --> pdb=" O GLU U 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU U 247 " --> pdb=" O ILE U 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR U 234 " --> pdb=" O TYR U 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR U 245 " --> pdb=" O TYR U 234 " (cutoff:3.500A) Processing sheet with id= 82, first strand: chain 'U' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR U 52 " --> pdb=" O LYS U 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS U 73 " --> pdb=" O THR U 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS U 54 " --> pdb=" O ASP U 71 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain 'U' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU U 140 " --> pdb=" O THR U 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE U 204 " --> pdb=" O TYR U 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL U 171 " --> pdb=" O ILE U 204 " (cutoff:3.500A) Processing sheet with id= 84, first strand: chain 'U' and resid 185 through 186 Processing sheet with id= 85, first strand: chain 'V' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP V 38 " --> pdb=" O LEU V 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU V 226 " --> pdb=" O ASP V 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER V 40 " --> pdb=" O LEU V 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR V 228 " --> pdb=" O SER V 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU V 226 " --> pdb=" O LEU V 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU V 253 " --> pdb=" O LEU V 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR V 228 " --> pdb=" O THR V 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR V 251 " --> pdb=" O THR V 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL V 230 " --> pdb=" O THR V 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR V 249 " --> pdb=" O VAL V 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE V 232 " --> pdb=" O GLU V 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU V 247 " --> pdb=" O ILE V 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR V 234 " --> pdb=" O TYR V 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR V 245 " --> pdb=" O TYR V 234 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain 'V' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR V 52 " --> pdb=" O LYS V 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS V 73 " --> pdb=" O THR V 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS V 54 " --> pdb=" O ASP V 71 " (cutoff:3.500A) Processing sheet with id= 87, first strand: chain 'V' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU V 140 " --> pdb=" O THR V 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE V 204 " --> pdb=" O TYR V 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL V 171 " --> pdb=" O ILE V 204 " (cutoff:3.500A) Processing sheet with id= 88, first strand: chain 'V' and resid 185 through 186 Processing sheet with id= 89, first strand: chain 'W' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP W 38 " --> pdb=" O LEU W 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU W 226 " --> pdb=" O ASP W 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER W 40 " --> pdb=" O LEU W 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR W 228 " --> pdb=" O SER W 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU W 226 " --> pdb=" O LEU W 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU W 253 " --> pdb=" O LEU W 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR W 228 " --> pdb=" O THR W 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR W 251 " --> pdb=" O THR W 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL W 230 " --> pdb=" O THR W 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR W 249 " --> pdb=" O VAL W 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE W 232 " --> pdb=" O GLU W 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU W 247 " --> pdb=" O ILE W 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR W 234 " --> pdb=" O TYR W 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR W 245 " --> pdb=" O TYR W 234 " (cutoff:3.500A) Processing sheet with id= 90, first strand: chain 'W' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR W 52 " --> pdb=" O LYS W 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS W 73 " --> pdb=" O THR W 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS W 54 " --> pdb=" O ASP W 71 " (cutoff:3.500A) Processing sheet with id= 91, first strand: chain 'W' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU W 140 " --> pdb=" O THR W 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE W 204 " --> pdb=" O TYR W 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL W 171 " --> pdb=" O ILE W 204 " (cutoff:3.500A) Processing sheet with id= 92, first strand: chain 'W' and resid 185 through 186 Processing sheet with id= 93, first strand: chain 'X' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP X 38 " --> pdb=" O LEU X 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU X 226 " --> pdb=" O ASP X 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER X 40 " --> pdb=" O LEU X 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR X 228 " --> pdb=" O SER X 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU X 226 " --> pdb=" O LEU X 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU X 253 " --> pdb=" O LEU X 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR X 228 " --> pdb=" O THR X 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR X 251 " --> pdb=" O THR X 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL X 230 " --> pdb=" O THR X 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR X 249 " --> pdb=" O VAL X 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE X 232 " --> pdb=" O GLU X 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU X 247 " --> pdb=" O ILE X 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR X 234 " --> pdb=" O TYR X 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR X 245 " --> pdb=" O TYR X 234 " (cutoff:3.500A) Processing sheet with id= 94, first strand: chain 'X' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR X 52 " --> pdb=" O LYS X 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS X 73 " --> pdb=" O THR X 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS X 54 " --> pdb=" O ASP X 71 " (cutoff:3.500A) Processing sheet with id= 95, first strand: chain 'X' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU X 140 " --> pdb=" O THR X 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE X 204 " --> pdb=" O TYR X 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL X 171 " --> pdb=" O ILE X 204 " (cutoff:3.500A) Processing sheet with id= 96, first strand: chain 'X' and resid 185 through 186 Processing sheet with id= 97, first strand: chain 'Y' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP Y 38 " --> pdb=" O LEU Y 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU Y 226 " --> pdb=" O ASP Y 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER Y 40 " --> pdb=" O LEU Y 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR Y 228 " --> pdb=" O SER Y 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU Y 226 " --> pdb=" O LEU Y 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU Y 253 " --> pdb=" O LEU Y 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR Y 228 " --> pdb=" O THR Y 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR Y 251 " --> pdb=" O THR Y 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL Y 230 " --> pdb=" O THR Y 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR Y 249 " --> pdb=" O VAL Y 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE Y 232 " --> pdb=" O GLU Y 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU Y 247 " --> pdb=" O ILE Y 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR Y 234 " --> pdb=" O TYR Y 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR Y 245 " --> pdb=" O TYR Y 234 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain 'Y' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR Y 52 " --> pdb=" O LYS Y 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS Y 73 " --> pdb=" O THR Y 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS Y 54 " --> pdb=" O ASP Y 71 " (cutoff:3.500A) Processing sheet with id= 99, first strand: chain 'Y' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU Y 140 " --> pdb=" O THR Y 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE Y 204 " --> pdb=" O TYR Y 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL Y 171 " --> pdb=" O ILE Y 204 " (cutoff:3.500A) Processing sheet with id=100, first strand: chain 'Y' and resid 185 through 186 Processing sheet with id=101, first strand: chain 'Z' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP Z 38 " --> pdb=" O LEU Z 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU Z 226 " --> pdb=" O ASP Z 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER Z 40 " --> pdb=" O LEU Z 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR Z 228 " --> pdb=" O SER Z 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU Z 226 " --> pdb=" O LEU Z 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU Z 253 " --> pdb=" O LEU Z 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR Z 228 " --> pdb=" O THR Z 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR Z 251 " --> pdb=" O THR Z 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL Z 230 " --> pdb=" O THR Z 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR Z 249 " --> pdb=" O VAL Z 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE Z 232 " --> pdb=" O GLU Z 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU Z 247 " --> pdb=" O ILE Z 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR Z 234 " --> pdb=" O TYR Z 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR Z 245 " --> pdb=" O TYR Z 234 " (cutoff:3.500A) Processing sheet with id=102, first strand: chain 'Z' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR Z 52 " --> pdb=" O LYS Z 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS Z 73 " --> pdb=" O THR Z 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS Z 54 " --> pdb=" O ASP Z 71 " (cutoff:3.500A) Processing sheet with id=103, first strand: chain 'Z' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU Z 140 " --> pdb=" O THR Z 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE Z 204 " --> pdb=" O TYR Z 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL Z 171 " --> pdb=" O ILE Z 204 " (cutoff:3.500A) Processing sheet with id=104, first strand: chain 'Z' and resid 185 through 186 Processing sheet with id=105, first strand: chain '0' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP 0 38 " --> pdb=" O LEU 0 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU 0 226 " --> pdb=" O ASP 0 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER 0 40 " --> pdb=" O LEU 0 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR 0 228 " --> pdb=" O SER 0 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU 0 226 " --> pdb=" O LEU 0 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU 0 253 " --> pdb=" O LEU 0 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR 0 228 " --> pdb=" O THR 0 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR 0 251 " --> pdb=" O THR 0 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL 0 230 " --> pdb=" O THR 0 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR 0 249 " --> pdb=" O VAL 0 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE 0 232 " --> pdb=" O GLU 0 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU 0 247 " --> pdb=" O ILE 0 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR 0 234 " --> pdb=" O TYR 0 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR 0 245 " --> pdb=" O TYR 0 234 " (cutoff:3.500A) Processing sheet with id=106, first strand: chain '0' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR 0 52 " --> pdb=" O LYS 0 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS 0 73 " --> pdb=" O THR 0 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS 0 54 " --> pdb=" O ASP 0 71 " (cutoff:3.500A) Processing sheet with id=107, first strand: chain '0' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU 0 140 " --> pdb=" O THR 0 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE 0 204 " --> pdb=" O TYR 0 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL 0 171 " --> pdb=" O ILE 0 204 " (cutoff:3.500A) Processing sheet with id=108, first strand: chain '0' and resid 185 through 186 Processing sheet with id=109, first strand: chain '1' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP 1 38 " --> pdb=" O LEU 1 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU 1 226 " --> pdb=" O ASP 1 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER 1 40 " --> pdb=" O LEU 1 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR 1 228 " --> pdb=" O SER 1 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU 1 226 " --> pdb=" O LEU 1 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU 1 253 " --> pdb=" O LEU 1 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR 1 228 " --> pdb=" O THR 1 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR 1 251 " --> pdb=" O THR 1 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL 1 230 " --> pdb=" O THR 1 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR 1 249 " --> pdb=" O VAL 1 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE 1 232 " --> pdb=" O GLU 1 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU 1 247 " --> pdb=" O ILE 1 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR 1 234 " --> pdb=" O TYR 1 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR 1 245 " --> pdb=" O TYR 1 234 " (cutoff:3.500A) Processing sheet with id=110, first strand: chain '1' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR 1 52 " --> pdb=" O LYS 1 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS 1 73 " --> pdb=" O THR 1 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS 1 54 " --> pdb=" O ASP 1 71 " (cutoff:3.500A) Processing sheet with id=111, first strand: chain '1' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU 1 140 " --> pdb=" O THR 1 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE 1 204 " --> pdb=" O TYR 1 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL 1 171 " --> pdb=" O ILE 1 204 " (cutoff:3.500A) Processing sheet with id=112, first strand: chain '1' and resid 185 through 186 Processing sheet with id=113, first strand: chain '2' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP 2 38 " --> pdb=" O LEU 2 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU 2 226 " --> pdb=" O ASP 2 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER 2 40 " --> pdb=" O LEU 2 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR 2 228 " --> pdb=" O SER 2 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU 2 226 " --> pdb=" O LEU 2 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU 2 253 " --> pdb=" O LEU 2 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR 2 228 " --> pdb=" O THR 2 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR 2 251 " --> pdb=" O THR 2 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL 2 230 " --> pdb=" O THR 2 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR 2 249 " --> pdb=" O VAL 2 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE 2 232 " --> pdb=" O GLU 2 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU 2 247 " --> pdb=" O ILE 2 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR 2 234 " --> pdb=" O TYR 2 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR 2 245 " --> pdb=" O TYR 2 234 " (cutoff:3.500A) Processing sheet with id=114, first strand: chain '2' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR 2 52 " --> pdb=" O LYS 2 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS 2 73 " --> pdb=" O THR 2 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS 2 54 " --> pdb=" O ASP 2 71 " (cutoff:3.500A) Processing sheet with id=115, first strand: chain '2' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU 2 140 " --> pdb=" O THR 2 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE 2 204 " --> pdb=" O TYR 2 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL 2 171 " --> pdb=" O ILE 2 204 " (cutoff:3.500A) Processing sheet with id=116, first strand: chain '2' and resid 185 through 186 Processing sheet with id=117, first strand: chain '3' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP 3 38 " --> pdb=" O LEU 3 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU 3 226 " --> pdb=" O ASP 3 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER 3 40 " --> pdb=" O LEU 3 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR 3 228 " --> pdb=" O SER 3 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU 3 226 " --> pdb=" O LEU 3 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU 3 253 " --> pdb=" O LEU 3 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR 3 228 " --> pdb=" O THR 3 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR 3 251 " --> pdb=" O THR 3 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL 3 230 " --> pdb=" O THR 3 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR 3 249 " --> pdb=" O VAL 3 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE 3 232 " --> pdb=" O GLU 3 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU 3 247 " --> pdb=" O ILE 3 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR 3 234 " --> pdb=" O TYR 3 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR 3 245 " --> pdb=" O TYR 3 234 " (cutoff:3.500A) Processing sheet with id=118, first strand: chain '3' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR 3 52 " --> pdb=" O LYS 3 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS 3 73 " --> pdb=" O THR 3 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS 3 54 " --> pdb=" O ASP 3 71 " (cutoff:3.500A) Processing sheet with id=119, first strand: chain '3' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU 3 140 " --> pdb=" O THR 3 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE 3 204 " --> pdb=" O TYR 3 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL 3 171 " --> pdb=" O ILE 3 204 " (cutoff:3.500A) Processing sheet with id=120, first strand: chain '3' and resid 185 through 186 Processing sheet with id=121, first strand: chain '4' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP 4 38 " --> pdb=" O LEU 4 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU 4 226 " --> pdb=" O ASP 4 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER 4 40 " --> pdb=" O LEU 4 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR 4 228 " --> pdb=" O SER 4 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU 4 226 " --> pdb=" O LEU 4 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU 4 253 " --> pdb=" O LEU 4 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR 4 228 " --> pdb=" O THR 4 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR 4 251 " --> pdb=" O THR 4 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL 4 230 " --> pdb=" O THR 4 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR 4 249 " --> pdb=" O VAL 4 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE 4 232 " --> pdb=" O GLU 4 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU 4 247 " --> pdb=" O ILE 4 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR 4 234 " --> pdb=" O TYR 4 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR 4 245 " --> pdb=" O TYR 4 234 " (cutoff:3.500A) Processing sheet with id=122, first strand: chain '4' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR 4 52 " --> pdb=" O LYS 4 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS 4 73 " --> pdb=" O THR 4 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS 4 54 " --> pdb=" O ASP 4 71 " (cutoff:3.500A) Processing sheet with id=123, first strand: chain '4' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU 4 140 " --> pdb=" O THR 4 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE 4 204 " --> pdb=" O TYR 4 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL 4 171 " --> pdb=" O ILE 4 204 " (cutoff:3.500A) Processing sheet with id=124, first strand: chain '4' and resid 185 through 186 Processing sheet with id=125, first strand: chain '5' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP 5 38 " --> pdb=" O LEU 5 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU 5 226 " --> pdb=" O ASP 5 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER 5 40 " --> pdb=" O LEU 5 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR 5 228 " --> pdb=" O SER 5 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU 5 226 " --> pdb=" O LEU 5 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU 5 253 " --> pdb=" O LEU 5 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR 5 228 " --> pdb=" O THR 5 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR 5 251 " --> pdb=" O THR 5 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL 5 230 " --> pdb=" O THR 5 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR 5 249 " --> pdb=" O VAL 5 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE 5 232 " --> pdb=" O GLU 5 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU 5 247 " --> pdb=" O ILE 5 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR 5 234 " --> pdb=" O TYR 5 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR 5 245 " --> pdb=" O TYR 5 234 " (cutoff:3.500A) Processing sheet with id=126, first strand: chain '5' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR 5 52 " --> pdb=" O LYS 5 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS 5 73 " --> pdb=" O THR 5 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS 5 54 " --> pdb=" O ASP 5 71 " (cutoff:3.500A) Processing sheet with id=127, first strand: chain '5' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU 5 140 " --> pdb=" O THR 5 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE 5 204 " --> pdb=" O TYR 5 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL 5 171 " --> pdb=" O ILE 5 204 " (cutoff:3.500A) Processing sheet with id=128, first strand: chain '5' and resid 185 through 186 Processing sheet with id=129, first strand: chain '6' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP 6 38 " --> pdb=" O LEU 6 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU 6 226 " --> pdb=" O ASP 6 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER 6 40 " --> pdb=" O LEU 6 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR 6 228 " --> pdb=" O SER 6 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU 6 226 " --> pdb=" O LEU 6 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU 6 253 " --> pdb=" O LEU 6 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR 6 228 " --> pdb=" O THR 6 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR 6 251 " --> pdb=" O THR 6 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL 6 230 " --> pdb=" O THR 6 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR 6 249 " --> pdb=" O VAL 6 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE 6 232 " --> pdb=" O GLU 6 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU 6 247 " --> pdb=" O ILE 6 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR 6 234 " --> pdb=" O TYR 6 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR 6 245 " --> pdb=" O TYR 6 234 " (cutoff:3.500A) Processing sheet with id=130, first strand: chain '6' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR 6 52 " --> pdb=" O LYS 6 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS 6 73 " --> pdb=" O THR 6 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS 6 54 " --> pdb=" O ASP 6 71 " (cutoff:3.500A) Processing sheet with id=131, first strand: chain '6' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU 6 140 " --> pdb=" O THR 6 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE 6 204 " --> pdb=" O TYR 6 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL 6 171 " --> pdb=" O ILE 6 204 " (cutoff:3.500A) Processing sheet with id=132, first strand: chain '6' and resid 185 through 186 Processing sheet with id=133, first strand: chain '7' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP 7 38 " --> pdb=" O LEU 7 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU 7 226 " --> pdb=" O ASP 7 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER 7 40 " --> pdb=" O LEU 7 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR 7 228 " --> pdb=" O SER 7 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU 7 226 " --> pdb=" O LEU 7 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU 7 253 " --> pdb=" O LEU 7 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR 7 228 " --> pdb=" O THR 7 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR 7 251 " --> pdb=" O THR 7 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL 7 230 " --> pdb=" O THR 7 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR 7 249 " --> pdb=" O VAL 7 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE 7 232 " --> pdb=" O GLU 7 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU 7 247 " --> pdb=" O ILE 7 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR 7 234 " --> pdb=" O TYR 7 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR 7 245 " --> pdb=" O TYR 7 234 " (cutoff:3.500A) Processing sheet with id=134, first strand: chain '7' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR 7 52 " --> pdb=" O LYS 7 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS 7 73 " --> pdb=" O THR 7 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS 7 54 " --> pdb=" O ASP 7 71 " (cutoff:3.500A) Processing sheet with id=135, first strand: chain '7' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU 7 140 " --> pdb=" O THR 7 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE 7 204 " --> pdb=" O TYR 7 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL 7 171 " --> pdb=" O ILE 7 204 " (cutoff:3.500A) Processing sheet with id=136, first strand: chain '7' and resid 185 through 186 Processing sheet with id=137, first strand: chain '8' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP 8 38 " --> pdb=" O LEU 8 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU 8 226 " --> pdb=" O ASP 8 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER 8 40 " --> pdb=" O LEU 8 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR 8 228 " --> pdb=" O SER 8 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU 8 226 " --> pdb=" O LEU 8 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU 8 253 " --> pdb=" O LEU 8 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR 8 228 " --> pdb=" O THR 8 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR 8 251 " --> pdb=" O THR 8 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL 8 230 " --> pdb=" O THR 8 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR 8 249 " --> pdb=" O VAL 8 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE 8 232 " --> pdb=" O GLU 8 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU 8 247 " --> pdb=" O ILE 8 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR 8 234 " --> pdb=" O TYR 8 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR 8 245 " --> pdb=" O TYR 8 234 " (cutoff:3.500A) Processing sheet with id=138, first strand: chain '8' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR 8 52 " --> pdb=" O LYS 8 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS 8 73 " --> pdb=" O THR 8 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS 8 54 " --> pdb=" O ASP 8 71 " (cutoff:3.500A) Processing sheet with id=139, first strand: chain '8' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU 8 140 " --> pdb=" O THR 8 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE 8 204 " --> pdb=" O TYR 8 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL 8 171 " --> pdb=" O ILE 8 204 " (cutoff:3.500A) Processing sheet with id=140, first strand: chain '8' and resid 185 through 186 Processing sheet with id=141, first strand: chain '9' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP 9 38 " --> pdb=" O LEU 9 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU 9 226 " --> pdb=" O ASP 9 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER 9 40 " --> pdb=" O LEU 9 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR 9 228 " --> pdb=" O SER 9 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU 9 226 " --> pdb=" O LEU 9 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU 9 253 " --> pdb=" O LEU 9 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR 9 228 " --> pdb=" O THR 9 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR 9 251 " --> pdb=" O THR 9 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL 9 230 " --> pdb=" O THR 9 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR 9 249 " --> pdb=" O VAL 9 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE 9 232 " --> pdb=" O GLU 9 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU 9 247 " --> pdb=" O ILE 9 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR 9 234 " --> pdb=" O TYR 9 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR 9 245 " --> pdb=" O TYR 9 234 " (cutoff:3.500A) Processing sheet with id=142, first strand: chain '9' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR 9 52 " --> pdb=" O LYS 9 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS 9 73 " --> pdb=" O THR 9 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS 9 54 " --> pdb=" O ASP 9 71 " (cutoff:3.500A) Processing sheet with id=143, first strand: chain '9' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU 9 140 " --> pdb=" O THR 9 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE 9 204 " --> pdb=" O TYR 9 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL 9 171 " --> pdb=" O ILE 9 204 " (cutoff:3.500A) Processing sheet with id=144, first strand: chain '9' and resid 185 through 186 Processing sheet with id=145, first strand: chain 'a' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP a 38 " --> pdb=" O LEU a 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU a 226 " --> pdb=" O ASP a 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER a 40 " --> pdb=" O LEU a 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR a 228 " --> pdb=" O SER a 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU a 226 " --> pdb=" O LEU a 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU a 253 " --> pdb=" O LEU a 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR a 228 " --> pdb=" O THR a 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR a 251 " --> pdb=" O THR a 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL a 230 " --> pdb=" O THR a 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR a 249 " --> pdb=" O VAL a 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE a 232 " --> pdb=" O GLU a 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU a 247 " --> pdb=" O ILE a 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR a 234 " --> pdb=" O TYR a 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR a 245 " --> pdb=" O TYR a 234 " (cutoff:3.500A) Processing sheet with id=146, first strand: chain 'a' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR a 52 " --> pdb=" O LYS a 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS a 73 " --> pdb=" O THR a 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS a 54 " --> pdb=" O ASP a 71 " (cutoff:3.500A) Processing sheet with id=147, first strand: chain 'a' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU a 140 " --> pdb=" O THR a 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE a 204 " --> pdb=" O TYR a 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL a 171 " --> pdb=" O ILE a 204 " (cutoff:3.500A) Processing sheet with id=148, first strand: chain 'a' and resid 185 through 186 Processing sheet with id=149, first strand: chain 'b' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP b 38 " --> pdb=" O LEU b 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU b 226 " --> pdb=" O ASP b 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER b 40 " --> pdb=" O LEU b 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR b 228 " --> pdb=" O SER b 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU b 226 " --> pdb=" O LEU b 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU b 253 " --> pdb=" O LEU b 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR b 228 " --> pdb=" O THR b 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR b 251 " --> pdb=" O THR b 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL b 230 " --> pdb=" O THR b 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR b 249 " --> pdb=" O VAL b 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE b 232 " --> pdb=" O GLU b 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU b 247 " --> pdb=" O ILE b 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR b 234 " --> pdb=" O TYR b 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR b 245 " --> pdb=" O TYR b 234 " (cutoff:3.500A) Processing sheet with id=150, first strand: chain 'b' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR b 52 " --> pdb=" O LYS b 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS b 73 " --> pdb=" O THR b 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS b 54 " --> pdb=" O ASP b 71 " (cutoff:3.500A) Processing sheet with id=151, first strand: chain 'b' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU b 140 " --> pdb=" O THR b 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE b 204 " --> pdb=" O TYR b 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL b 171 " --> pdb=" O ILE b 204 " (cutoff:3.500A) Processing sheet with id=152, first strand: chain 'b' and resid 185 through 186 Processing sheet with id=153, first strand: chain 'c' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP c 38 " --> pdb=" O LEU c 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU c 226 " --> pdb=" O ASP c 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER c 40 " --> pdb=" O LEU c 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR c 228 " --> pdb=" O SER c 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU c 226 " --> pdb=" O LEU c 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU c 253 " --> pdb=" O LEU c 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR c 228 " --> pdb=" O THR c 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR c 251 " --> pdb=" O THR c 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL c 230 " --> pdb=" O THR c 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR c 249 " --> pdb=" O VAL c 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE c 232 " --> pdb=" O GLU c 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU c 247 " --> pdb=" O ILE c 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR c 234 " --> pdb=" O TYR c 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR c 245 " --> pdb=" O TYR c 234 " (cutoff:3.500A) Processing sheet with id=154, first strand: chain 'c' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR c 52 " --> pdb=" O LYS c 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS c 73 " --> pdb=" O THR c 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS c 54 " --> pdb=" O ASP c 71 " (cutoff:3.500A) Processing sheet with id=155, first strand: chain 'c' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU c 140 " --> pdb=" O THR c 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE c 204 " --> pdb=" O TYR c 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL c 171 " --> pdb=" O ILE c 204 " (cutoff:3.500A) Processing sheet with id=156, first strand: chain 'c' and resid 185 through 186 Processing sheet with id=157, first strand: chain 'd' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP d 38 " --> pdb=" O LEU d 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU d 226 " --> pdb=" O ASP d 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER d 40 " --> pdb=" O LEU d 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR d 228 " --> pdb=" O SER d 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU d 226 " --> pdb=" O LEU d 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU d 253 " --> pdb=" O LEU d 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR d 228 " --> pdb=" O THR d 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR d 251 " --> pdb=" O THR d 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL d 230 " --> pdb=" O THR d 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR d 249 " --> pdb=" O VAL d 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE d 232 " --> pdb=" O GLU d 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU d 247 " --> pdb=" O ILE d 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR d 234 " --> pdb=" O TYR d 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR d 245 " --> pdb=" O TYR d 234 " (cutoff:3.500A) Processing sheet with id=158, first strand: chain 'd' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR d 52 " --> pdb=" O LYS d 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS d 73 " --> pdb=" O THR d 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS d 54 " --> pdb=" O ASP d 71 " (cutoff:3.500A) Processing sheet with id=159, first strand: chain 'd' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU d 140 " --> pdb=" O THR d 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE d 204 " --> pdb=" O TYR d 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL d 171 " --> pdb=" O ILE d 204 " (cutoff:3.500A) Processing sheet with id=160, first strand: chain 'd' and resid 185 through 186 Processing sheet with id=161, first strand: chain 'e' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP e 38 " --> pdb=" O LEU e 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU e 226 " --> pdb=" O ASP e 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER e 40 " --> pdb=" O LEU e 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR e 228 " --> pdb=" O SER e 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU e 226 " --> pdb=" O LEU e 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU e 253 " --> pdb=" O LEU e 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR e 228 " --> pdb=" O THR e 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR e 251 " --> pdb=" O THR e 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL e 230 " --> pdb=" O THR e 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR e 249 " --> pdb=" O VAL e 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE e 232 " --> pdb=" O GLU e 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU e 247 " --> pdb=" O ILE e 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR e 234 " --> pdb=" O TYR e 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR e 245 " --> pdb=" O TYR e 234 " (cutoff:3.500A) Processing sheet with id=162, first strand: chain 'e' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR e 52 " --> pdb=" O LYS e 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS e 73 " --> pdb=" O THR e 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS e 54 " --> pdb=" O ASP e 71 " (cutoff:3.500A) Processing sheet with id=163, first strand: chain 'e' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU e 140 " --> pdb=" O THR e 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE e 204 " --> pdb=" O TYR e 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL e 171 " --> pdb=" O ILE e 204 " (cutoff:3.500A) Processing sheet with id=164, first strand: chain 'e' and resid 185 through 186 Processing sheet with id=165, first strand: chain 'f' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP f 38 " --> pdb=" O LEU f 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU f 226 " --> pdb=" O ASP f 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER f 40 " --> pdb=" O LEU f 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR f 228 " --> pdb=" O SER f 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU f 226 " --> pdb=" O LEU f 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU f 253 " --> pdb=" O LEU f 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR f 228 " --> pdb=" O THR f 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR f 251 " --> pdb=" O THR f 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL f 230 " --> pdb=" O THR f 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR f 249 " --> pdb=" O VAL f 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE f 232 " --> pdb=" O GLU f 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU f 247 " --> pdb=" O ILE f 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR f 234 " --> pdb=" O TYR f 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR f 245 " --> pdb=" O TYR f 234 " (cutoff:3.500A) Processing sheet with id=166, first strand: chain 'f' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR f 52 " --> pdb=" O LYS f 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS f 73 " --> pdb=" O THR f 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS f 54 " --> pdb=" O ASP f 71 " (cutoff:3.500A) Processing sheet with id=167, first strand: chain 'f' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU f 140 " --> pdb=" O THR f 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE f 204 " --> pdb=" O TYR f 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL f 171 " --> pdb=" O ILE f 204 " (cutoff:3.500A) Processing sheet with id=168, first strand: chain 'f' and resid 185 through 186 Processing sheet with id=169, first strand: chain 'g' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP g 38 " --> pdb=" O LEU g 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU g 226 " --> pdb=" O ASP g 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER g 40 " --> pdb=" O LEU g 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR g 228 " --> pdb=" O SER g 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU g 226 " --> pdb=" O LEU g 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU g 253 " --> pdb=" O LEU g 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR g 228 " --> pdb=" O THR g 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR g 251 " --> pdb=" O THR g 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL g 230 " --> pdb=" O THR g 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR g 249 " --> pdb=" O VAL g 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE g 232 " --> pdb=" O GLU g 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU g 247 " --> pdb=" O ILE g 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR g 234 " --> pdb=" O TYR g 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR g 245 " --> pdb=" O TYR g 234 " (cutoff:3.500A) Processing sheet with id=170, first strand: chain 'g' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR g 52 " --> pdb=" O LYS g 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS g 73 " --> pdb=" O THR g 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS g 54 " --> pdb=" O ASP g 71 " (cutoff:3.500A) Processing sheet with id=171, first strand: chain 'g' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU g 140 " --> pdb=" O THR g 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE g 204 " --> pdb=" O TYR g 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL g 171 " --> pdb=" O ILE g 204 " (cutoff:3.500A) Processing sheet with id=172, first strand: chain 'g' and resid 185 through 186 Processing sheet with id=173, first strand: chain 'h' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP h 38 " --> pdb=" O LEU h 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU h 226 " --> pdb=" O ASP h 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER h 40 " --> pdb=" O LEU h 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR h 228 " --> pdb=" O SER h 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU h 226 " --> pdb=" O LEU h 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU h 253 " --> pdb=" O LEU h 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR h 228 " --> pdb=" O THR h 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR h 251 " --> pdb=" O THR h 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL h 230 " --> pdb=" O THR h 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR h 249 " --> pdb=" O VAL h 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE h 232 " --> pdb=" O GLU h 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU h 247 " --> pdb=" O ILE h 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR h 234 " --> pdb=" O TYR h 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR h 245 " --> pdb=" O TYR h 234 " (cutoff:3.500A) Processing sheet with id=174, first strand: chain 'h' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR h 52 " --> pdb=" O LYS h 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS h 73 " --> pdb=" O THR h 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS h 54 " --> pdb=" O ASP h 71 " (cutoff:3.500A) Processing sheet with id=175, first strand: chain 'h' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU h 140 " --> pdb=" O THR h 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE h 204 " --> pdb=" O TYR h 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL h 171 " --> pdb=" O ILE h 204 " (cutoff:3.500A) Processing sheet with id=176, first strand: chain 'h' and resid 185 through 186 Processing sheet with id=177, first strand: chain 'i' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP i 38 " --> pdb=" O LEU i 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU i 226 " --> pdb=" O ASP i 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER i 40 " --> pdb=" O LEU i 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR i 228 " --> pdb=" O SER i 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU i 226 " --> pdb=" O LEU i 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU i 253 " --> pdb=" O LEU i 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR i 228 " --> pdb=" O THR i 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR i 251 " --> pdb=" O THR i 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL i 230 " --> pdb=" O THR i 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR i 249 " --> pdb=" O VAL i 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE i 232 " --> pdb=" O GLU i 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU i 247 " --> pdb=" O ILE i 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR i 234 " --> pdb=" O TYR i 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR i 245 " --> pdb=" O TYR i 234 " (cutoff:3.500A) Processing sheet with id=178, first strand: chain 'i' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR i 52 " --> pdb=" O LYS i 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS i 73 " --> pdb=" O THR i 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS i 54 " --> pdb=" O ASP i 71 " (cutoff:3.500A) Processing sheet with id=179, first strand: chain 'i' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU i 140 " --> pdb=" O THR i 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE i 204 " --> pdb=" O TYR i 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL i 171 " --> pdb=" O ILE i 204 " (cutoff:3.500A) Processing sheet with id=180, first strand: chain 'i' and resid 185 through 186 Processing sheet with id=181, first strand: chain 'j' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP j 38 " --> pdb=" O LEU j 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU j 226 " --> pdb=" O ASP j 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER j 40 " --> pdb=" O LEU j 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR j 228 " --> pdb=" O SER j 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU j 226 " --> pdb=" O LEU j 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU j 253 " --> pdb=" O LEU j 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR j 228 " --> pdb=" O THR j 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR j 251 " --> pdb=" O THR j 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL j 230 " --> pdb=" O THR j 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR j 249 " --> pdb=" O VAL j 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE j 232 " --> pdb=" O GLU j 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU j 247 " --> pdb=" O ILE j 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR j 234 " --> pdb=" O TYR j 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR j 245 " --> pdb=" O TYR j 234 " (cutoff:3.500A) Processing sheet with id=182, first strand: chain 'j' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR j 52 " --> pdb=" O LYS j 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS j 73 " --> pdb=" O THR j 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS j 54 " --> pdb=" O ASP j 71 " (cutoff:3.500A) Processing sheet with id=183, first strand: chain 'j' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU j 140 " --> pdb=" O THR j 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE j 204 " --> pdb=" O TYR j 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL j 171 " --> pdb=" O ILE j 204 " (cutoff:3.500A) Processing sheet with id=184, first strand: chain 'j' and resid 185 through 186 Processing sheet with id=185, first strand: chain 'k' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP k 38 " --> pdb=" O LEU k 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU k 226 " --> pdb=" O ASP k 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER k 40 " --> pdb=" O LEU k 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR k 228 " --> pdb=" O SER k 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU k 226 " --> pdb=" O LEU k 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU k 253 " --> pdb=" O LEU k 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR k 228 " --> pdb=" O THR k 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR k 251 " --> pdb=" O THR k 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL k 230 " --> pdb=" O THR k 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR k 249 " --> pdb=" O VAL k 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE k 232 " --> pdb=" O GLU k 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU k 247 " --> pdb=" O ILE k 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR k 234 " --> pdb=" O TYR k 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR k 245 " --> pdb=" O TYR k 234 " (cutoff:3.500A) Processing sheet with id=186, first strand: chain 'k' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR k 52 " --> pdb=" O LYS k 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS k 73 " --> pdb=" O THR k 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS k 54 " --> pdb=" O ASP k 71 " (cutoff:3.500A) Processing sheet with id=187, first strand: chain 'k' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU k 140 " --> pdb=" O THR k 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE k 204 " --> pdb=" O TYR k 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL k 171 " --> pdb=" O ILE k 204 " (cutoff:3.500A) Processing sheet with id=188, first strand: chain 'k' and resid 185 through 186 Processing sheet with id=189, first strand: chain 'l' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP l 38 " --> pdb=" O LEU l 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU l 226 " --> pdb=" O ASP l 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER l 40 " --> pdb=" O LEU l 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR l 228 " --> pdb=" O SER l 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU l 226 " --> pdb=" O LEU l 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU l 253 " --> pdb=" O LEU l 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR l 228 " --> pdb=" O THR l 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR l 251 " --> pdb=" O THR l 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL l 230 " --> pdb=" O THR l 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR l 249 " --> pdb=" O VAL l 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE l 232 " --> pdb=" O GLU l 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU l 247 " --> pdb=" O ILE l 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR l 234 " --> pdb=" O TYR l 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR l 245 " --> pdb=" O TYR l 234 " (cutoff:3.500A) Processing sheet with id=190, first strand: chain 'l' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR l 52 " --> pdb=" O LYS l 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS l 73 " --> pdb=" O THR l 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS l 54 " --> pdb=" O ASP l 71 " (cutoff:3.500A) Processing sheet with id=191, first strand: chain 'l' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU l 140 " --> pdb=" O THR l 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE l 204 " --> pdb=" O TYR l 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL l 171 " --> pdb=" O ILE l 204 " (cutoff:3.500A) Processing sheet with id=192, first strand: chain 'l' and resid 185 through 186 Processing sheet with id=193, first strand: chain 'm' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP m 38 " --> pdb=" O LEU m 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU m 226 " --> pdb=" O ASP m 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER m 40 " --> pdb=" O LEU m 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR m 228 " --> pdb=" O SER m 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU m 226 " --> pdb=" O LEU m 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU m 253 " --> pdb=" O LEU m 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR m 228 " --> pdb=" O THR m 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR m 251 " --> pdb=" O THR m 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL m 230 " --> pdb=" O THR m 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR m 249 " --> pdb=" O VAL m 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE m 232 " --> pdb=" O GLU m 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU m 247 " --> pdb=" O ILE m 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR m 234 " --> pdb=" O TYR m 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR m 245 " --> pdb=" O TYR m 234 " (cutoff:3.500A) Processing sheet with id=194, first strand: chain 'm' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR m 52 " --> pdb=" O LYS m 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS m 73 " --> pdb=" O THR m 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS m 54 " --> pdb=" O ASP m 71 " (cutoff:3.500A) Processing sheet with id=195, first strand: chain 'm' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU m 140 " --> pdb=" O THR m 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE m 204 " --> pdb=" O TYR m 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL m 171 " --> pdb=" O ILE m 204 " (cutoff:3.500A) Processing sheet with id=196, first strand: chain 'm' and resid 185 through 186 Processing sheet with id=197, first strand: chain 'n' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP n 38 " --> pdb=" O LEU n 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU n 226 " --> pdb=" O ASP n 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER n 40 " --> pdb=" O LEU n 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR n 228 " --> pdb=" O SER n 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU n 226 " --> pdb=" O LEU n 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU n 253 " --> pdb=" O LEU n 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR n 228 " --> pdb=" O THR n 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR n 251 " --> pdb=" O THR n 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL n 230 " --> pdb=" O THR n 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR n 249 " --> pdb=" O VAL n 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE n 232 " --> pdb=" O GLU n 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU n 247 " --> pdb=" O ILE n 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR n 234 " --> pdb=" O TYR n 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR n 245 " --> pdb=" O TYR n 234 " (cutoff:3.500A) Processing sheet with id=198, first strand: chain 'n' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR n 52 " --> pdb=" O LYS n 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS n 73 " --> pdb=" O THR n 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS n 54 " --> pdb=" O ASP n 71 " (cutoff:3.500A) Processing sheet with id=199, first strand: chain 'n' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU n 140 " --> pdb=" O THR n 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE n 204 " --> pdb=" O TYR n 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL n 171 " --> pdb=" O ILE n 204 " (cutoff:3.500A) Processing sheet with id=200, first strand: chain 'n' and resid 185 through 186 Processing sheet with id=201, first strand: chain 'o' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP o 38 " --> pdb=" O LEU o 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU o 226 " --> pdb=" O ASP o 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER o 40 " --> pdb=" O LEU o 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR o 228 " --> pdb=" O SER o 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU o 226 " --> pdb=" O LEU o 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU o 253 " --> pdb=" O LEU o 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR o 228 " --> pdb=" O THR o 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR o 251 " --> pdb=" O THR o 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL o 230 " --> pdb=" O THR o 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR o 249 " --> pdb=" O VAL o 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE o 232 " --> pdb=" O GLU o 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU o 247 " --> pdb=" O ILE o 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR o 234 " --> pdb=" O TYR o 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR o 245 " --> pdb=" O TYR o 234 " (cutoff:3.500A) Processing sheet with id=202, first strand: chain 'o' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR o 52 " --> pdb=" O LYS o 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS o 73 " --> pdb=" O THR o 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS o 54 " --> pdb=" O ASP o 71 " (cutoff:3.500A) Processing sheet with id=203, first strand: chain 'o' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU o 140 " --> pdb=" O THR o 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE o 204 " --> pdb=" O TYR o 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL o 171 " --> pdb=" O ILE o 204 " (cutoff:3.500A) Processing sheet with id=204, first strand: chain 'o' and resid 185 through 186 Processing sheet with id=205, first strand: chain 'p' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP p 38 " --> pdb=" O LEU p 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU p 226 " --> pdb=" O ASP p 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER p 40 " --> pdb=" O LEU p 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR p 228 " --> pdb=" O SER p 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU p 226 " --> pdb=" O LEU p 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU p 253 " --> pdb=" O LEU p 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR p 228 " --> pdb=" O THR p 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR p 251 " --> pdb=" O THR p 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL p 230 " --> pdb=" O THR p 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR p 249 " --> pdb=" O VAL p 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE p 232 " --> pdb=" O GLU p 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU p 247 " --> pdb=" O ILE p 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR p 234 " --> pdb=" O TYR p 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR p 245 " --> pdb=" O TYR p 234 " (cutoff:3.500A) Processing sheet with id=206, first strand: chain 'p' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR p 52 " --> pdb=" O LYS p 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS p 73 " --> pdb=" O THR p 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS p 54 " --> pdb=" O ASP p 71 " (cutoff:3.500A) Processing sheet with id=207, first strand: chain 'p' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU p 140 " --> pdb=" O THR p 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE p 204 " --> pdb=" O TYR p 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL p 171 " --> pdb=" O ILE p 204 " (cutoff:3.500A) Processing sheet with id=208, first strand: chain 'p' and resid 185 through 186 Processing sheet with id=209, first strand: chain 'q' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP q 38 " --> pdb=" O LEU q 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU q 226 " --> pdb=" O ASP q 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER q 40 " --> pdb=" O LEU q 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR q 228 " --> pdb=" O SER q 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU q 226 " --> pdb=" O LEU q 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU q 253 " --> pdb=" O LEU q 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR q 228 " --> pdb=" O THR q 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR q 251 " --> pdb=" O THR q 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL q 230 " --> pdb=" O THR q 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR q 249 " --> pdb=" O VAL q 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE q 232 " --> pdb=" O GLU q 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU q 247 " --> pdb=" O ILE q 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR q 234 " --> pdb=" O TYR q 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR q 245 " --> pdb=" O TYR q 234 " (cutoff:3.500A) Processing sheet with id=210, first strand: chain 'q' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR q 52 " --> pdb=" O LYS q 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS q 73 " --> pdb=" O THR q 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS q 54 " --> pdb=" O ASP q 71 " (cutoff:3.500A) Processing sheet with id=211, first strand: chain 'q' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU q 140 " --> pdb=" O THR q 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE q 204 " --> pdb=" O TYR q 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL q 171 " --> pdb=" O ILE q 204 " (cutoff:3.500A) Processing sheet with id=212, first strand: chain 'q' and resid 185 through 186 Processing sheet with id=213, first strand: chain 'r' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP r 38 " --> pdb=" O LEU r 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU r 226 " --> pdb=" O ASP r 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER r 40 " --> pdb=" O LEU r 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR r 228 " --> pdb=" O SER r 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU r 226 " --> pdb=" O LEU r 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU r 253 " --> pdb=" O LEU r 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR r 228 " --> pdb=" O THR r 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR r 251 " --> pdb=" O THR r 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL r 230 " --> pdb=" O THR r 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR r 249 " --> pdb=" O VAL r 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE r 232 " --> pdb=" O GLU r 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU r 247 " --> pdb=" O ILE r 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR r 234 " --> pdb=" O TYR r 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR r 245 " --> pdb=" O TYR r 234 " (cutoff:3.500A) Processing sheet with id=214, first strand: chain 'r' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR r 52 " --> pdb=" O LYS r 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS r 73 " --> pdb=" O THR r 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS r 54 " --> pdb=" O ASP r 71 " (cutoff:3.500A) Processing sheet with id=215, first strand: chain 'r' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU r 140 " --> pdb=" O THR r 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE r 204 " --> pdb=" O TYR r 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL r 171 " --> pdb=" O ILE r 204 " (cutoff:3.500A) Processing sheet with id=216, first strand: chain 'r' and resid 185 through 186 Processing sheet with id=217, first strand: chain 's' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP s 38 " --> pdb=" O LEU s 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU s 226 " --> pdb=" O ASP s 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER s 40 " --> pdb=" O LEU s 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR s 228 " --> pdb=" O SER s 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU s 226 " --> pdb=" O LEU s 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU s 253 " --> pdb=" O LEU s 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR s 228 " --> pdb=" O THR s 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR s 251 " --> pdb=" O THR s 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL s 230 " --> pdb=" O THR s 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR s 249 " --> pdb=" O VAL s 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE s 232 " --> pdb=" O GLU s 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU s 247 " --> pdb=" O ILE s 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR s 234 " --> pdb=" O TYR s 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR s 245 " --> pdb=" O TYR s 234 " (cutoff:3.500A) Processing sheet with id=218, first strand: chain 's' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR s 52 " --> pdb=" O LYS s 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS s 73 " --> pdb=" O THR s 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS s 54 " --> pdb=" O ASP s 71 " (cutoff:3.500A) Processing sheet with id=219, first strand: chain 's' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU s 140 " --> pdb=" O THR s 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE s 204 " --> pdb=" O TYR s 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL s 171 " --> pdb=" O ILE s 204 " (cutoff:3.500A) Processing sheet with id=220, first strand: chain 's' and resid 185 through 186 Processing sheet with id=221, first strand: chain 't' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP t 38 " --> pdb=" O LEU t 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU t 226 " --> pdb=" O ASP t 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER t 40 " --> pdb=" O LEU t 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR t 228 " --> pdb=" O SER t 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU t 226 " --> pdb=" O LEU t 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU t 253 " --> pdb=" O LEU t 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR t 228 " --> pdb=" O THR t 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR t 251 " --> pdb=" O THR t 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL t 230 " --> pdb=" O THR t 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR t 249 " --> pdb=" O VAL t 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE t 232 " --> pdb=" O GLU t 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU t 247 " --> pdb=" O ILE t 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR t 234 " --> pdb=" O TYR t 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR t 245 " --> pdb=" O TYR t 234 " (cutoff:3.500A) Processing sheet with id=222, first strand: chain 't' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR t 52 " --> pdb=" O LYS t 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS t 73 " --> pdb=" O THR t 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS t 54 " --> pdb=" O ASP t 71 " (cutoff:3.500A) Processing sheet with id=223, first strand: chain 't' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU t 140 " --> pdb=" O THR t 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE t 204 " --> pdb=" O TYR t 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL t 171 " --> pdb=" O ILE t 204 " (cutoff:3.500A) Processing sheet with id=224, first strand: chain 't' and resid 185 through 186 Processing sheet with id=225, first strand: chain 'u' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP u 38 " --> pdb=" O LEU u 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU u 226 " --> pdb=" O ASP u 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER u 40 " --> pdb=" O LEU u 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR u 228 " --> pdb=" O SER u 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU u 226 " --> pdb=" O LEU u 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU u 253 " --> pdb=" O LEU u 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR u 228 " --> pdb=" O THR u 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR u 251 " --> pdb=" O THR u 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL u 230 " --> pdb=" O THR u 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR u 249 " --> pdb=" O VAL u 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE u 232 " --> pdb=" O GLU u 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU u 247 " --> pdb=" O ILE u 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR u 234 " --> pdb=" O TYR u 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR u 245 " --> pdb=" O TYR u 234 " (cutoff:3.500A) Processing sheet with id=226, first strand: chain 'u' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR u 52 " --> pdb=" O LYS u 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS u 73 " --> pdb=" O THR u 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS u 54 " --> pdb=" O ASP u 71 " (cutoff:3.500A) Processing sheet with id=227, first strand: chain 'u' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU u 140 " --> pdb=" O THR u 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE u 204 " --> pdb=" O TYR u 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL u 171 " --> pdb=" O ILE u 204 " (cutoff:3.500A) Processing sheet with id=228, first strand: chain 'u' and resid 185 through 186 Processing sheet with id=229, first strand: chain 'v' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP v 38 " --> pdb=" O LEU v 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU v 226 " --> pdb=" O ASP v 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER v 40 " --> pdb=" O LEU v 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR v 228 " --> pdb=" O SER v 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU v 226 " --> pdb=" O LEU v 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU v 253 " --> pdb=" O LEU v 226 " (cutoff:3.500A) removed outlier: 9.626A pdb=" N THR v 228 " --> pdb=" O THR v 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR v 251 " --> pdb=" O THR v 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL v 230 " --> pdb=" O THR v 249 " (cutoff:3.500A) removed outlier: 8.449A pdb=" N THR v 249 " --> pdb=" O VAL v 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE v 232 " --> pdb=" O GLU v 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU v 247 " --> pdb=" O ILE v 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR v 234 " --> pdb=" O TYR v 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR v 245 " --> pdb=" O TYR v 234 " (cutoff:3.500A) Processing sheet with id=230, first strand: chain 'v' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR v 52 " --> pdb=" O LYS v 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS v 73 " --> pdb=" O THR v 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS v 54 " --> pdb=" O ASP v 71 " (cutoff:3.500A) Processing sheet with id=231, first strand: chain 'v' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU v 140 " --> pdb=" O THR v 264 " (cutoff:3.500A) removed outlier: 8.243A pdb=" N ILE v 204 " --> pdb=" O TYR v 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL v 171 " --> pdb=" O ILE v 204 " (cutoff:3.500A) Processing sheet with id=232, first strand: chain 'v' and resid 185 through 186 Processing sheet with id=233, first strand: chain 'w' and resid 38 through 40 removed outlier: 6.398A pdb=" N ASP w 38 " --> pdb=" O LEU w 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU w 226 " --> pdb=" O ASP w 38 " (cutoff:3.500A) removed outlier: 6.685A pdb=" N SER w 40 " --> pdb=" O LEU w 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR w 228 " --> pdb=" O SER w 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU w 226 " --> pdb=" O LEU w 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU w 253 " --> pdb=" O LEU w 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR w 228 " --> pdb=" O THR w 251 " (cutoff:3.500A) removed outlier: 7.980A pdb=" N THR w 251 " --> pdb=" O THR w 228 " (cutoff:3.500A) removed outlier: 7.258A pdb=" N VAL w 230 " --> pdb=" O THR w 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR w 249 " --> pdb=" O VAL w 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE w 232 " --> pdb=" O GLU w 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU w 247 " --> pdb=" O ILE w 232 " (cutoff:3.500A) removed outlier: 5.708A pdb=" N TYR w 234 " --> pdb=" O TYR w 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR w 245 " --> pdb=" O TYR w 234 " (cutoff:3.500A) Processing sheet with id=234, first strand: chain 'w' and resid 49 through 57 removed outlier: 7.023A pdb=" N THR w 52 " --> pdb=" O LYS w 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS w 73 " --> pdb=" O THR w 52 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N HIS w 54 " --> pdb=" O ASP w 71 " (cutoff:3.500A) Processing sheet with id=235, first strand: chain 'w' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU w 140 " --> pdb=" O THR w 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE w 204 " --> pdb=" O TYR w 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL w 171 " --> pdb=" O ILE w 204 " (cutoff:3.500A) Processing sheet with id=236, first strand: chain 'w' and resid 185 through 186 Processing sheet with id=237, first strand: chain 'x' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP x 38 " --> pdb=" O LEU x 224 " (cutoff:3.500A) removed outlier: 7.360A pdb=" N LEU x 226 " --> pdb=" O ASP x 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER x 40 " --> pdb=" O LEU x 226 " (cutoff:3.500A) removed outlier: 7.618A pdb=" N THR x 228 " --> pdb=" O SER x 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU x 226 " --> pdb=" O LEU x 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU x 253 " --> pdb=" O LEU x 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR x 228 " --> pdb=" O THR x 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR x 251 " --> pdb=" O THR x 228 " (cutoff:3.500A) removed outlier: 7.257A pdb=" N VAL x 230 " --> pdb=" O THR x 249 " (cutoff:3.500A) removed outlier: 8.448A pdb=" N THR x 249 " --> pdb=" O VAL x 230 " (cutoff:3.500A) removed outlier: 5.745A pdb=" N ILE x 232 " --> pdb=" O GLU x 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU x 247 " --> pdb=" O ILE x 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR x 234 " --> pdb=" O TYR x 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR x 245 " --> pdb=" O TYR x 234 " (cutoff:3.500A) Processing sheet with id=238, first strand: chain 'x' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR x 52 " --> pdb=" O LYS x 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS x 73 " --> pdb=" O THR x 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS x 54 " --> pdb=" O ASP x 71 " (cutoff:3.500A) Processing sheet with id=239, first strand: chain 'x' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU x 140 " --> pdb=" O THR x 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE x 204 " --> pdb=" O TYR x 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL x 171 " --> pdb=" O ILE x 204 " (cutoff:3.500A) Processing sheet with id=240, first strand: chain 'x' and resid 185 through 186 Processing sheet with id=241, first strand: chain 'y' and resid 38 through 40 removed outlier: 6.397A pdb=" N ASP y 38 " --> pdb=" O LEU y 224 " (cutoff:3.500A) removed outlier: 7.359A pdb=" N LEU y 226 " --> pdb=" O ASP y 38 " (cutoff:3.500A) removed outlier: 6.686A pdb=" N SER y 40 " --> pdb=" O LEU y 226 " (cutoff:3.500A) removed outlier: 7.617A pdb=" N THR y 228 " --> pdb=" O SER y 40 " (cutoff:3.500A) removed outlier: 10.357A pdb=" N LEU y 226 " --> pdb=" O LEU y 253 " (cutoff:3.500A) removed outlier: 11.269A pdb=" N LEU y 253 " --> pdb=" O LEU y 226 " (cutoff:3.500A) removed outlier: 9.627A pdb=" N THR y 228 " --> pdb=" O THR y 251 " (cutoff:3.500A) removed outlier: 7.981A pdb=" N THR y 251 " --> pdb=" O THR y 228 " (cutoff:3.500A) removed outlier: 7.259A pdb=" N VAL y 230 " --> pdb=" O THR y 249 " (cutoff:3.500A) removed outlier: 8.450A pdb=" N THR y 249 " --> pdb=" O VAL y 230 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N ILE y 232 " --> pdb=" O GLU y 247 " (cutoff:3.500A) removed outlier: 6.959A pdb=" N GLU y 247 " --> pdb=" O ILE y 232 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N TYR y 234 " --> pdb=" O TYR y 245 " (cutoff:3.500A) removed outlier: 6.324A pdb=" N TYR y 245 " --> pdb=" O TYR y 234 " (cutoff:3.500A) Processing sheet with id=242, first strand: chain 'y' and resid 49 through 57 removed outlier: 7.024A pdb=" N THR y 52 " --> pdb=" O LYS y 73 " (cutoff:3.500A) removed outlier: 8.032A pdb=" N LYS y 73 " --> pdb=" O THR y 52 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N HIS y 54 " --> pdb=" O ASP y 71 " (cutoff:3.500A) Processing sheet with id=243, first strand: chain 'y' and resid 140 through 141 removed outlier: 7.140A pdb=" N LEU y 140 " --> pdb=" O THR y 264 " (cutoff:3.500A) removed outlier: 8.242A pdb=" N ILE y 204 " --> pdb=" O TYR y 169 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N VAL y 171 " --> pdb=" O ILE y 204 " (cutoff:3.500A) Processing sheet with id=244, first strand: chain 'y' and resid 185 through 186 5429 hydrogen bonds defined for protein. 15006 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: 83.86 Time building geometry restraints manager: 39.08 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: 42102 1.34 - 1.46: 21801 1.46 - 1.57: 61757 1.57 - 1.69: 0 1.69 - 1.81: 427 Bond restraints: 126087 Sorted by residual: bond pdb=" C TYR b 189 " pdb=" N PRO b 190 " ideal model delta sigma weight residual 1.330 1.351 -0.021 1.22e-02 6.72e+03 2.82e+00 bond pdb=" C TYR H 189 " pdb=" N PRO H 190 " ideal model delta sigma weight residual 1.330 1.351 -0.021 1.22e-02 6.72e+03 2.82e+00 bond pdb=" C TYR R 189 " pdb=" N PRO R 190 " ideal model delta sigma weight residual 1.330 1.351 -0.021 1.22e-02 6.72e+03 2.82e+00 bond pdb=" C TYR l 189 " pdb=" N PRO l 190 " ideal model delta sigma weight residual 1.330 1.351 -0.021 1.22e-02 6.72e+03 2.82e+00 bond pdb=" C TYR q 189 " pdb=" N PRO q 190 " ideal model delta sigma weight residual 1.330 1.351 -0.021 1.22e-02 6.72e+03 2.82e+00 ... (remaining 126082 not shown) Histogram of bond angle deviations from ideal: 100.30 - 107.09: 5027 107.09 - 113.89: 71345 113.89 - 120.68: 50691 120.68 - 127.47: 43322 127.47 - 134.26: 1635 Bond angle restraints: 172020 Sorted by residual: angle pdb=" CA GLU O 176 " pdb=" CB GLU O 176 " pdb=" CG GLU O 176 " ideal model delta sigma weight residual 114.10 121.66 -7.56 2.00e+00 2.50e-01 1.43e+01 angle pdb=" CA GLU i 176 " pdb=" CB GLU i 176 " pdb=" CG GLU i 176 " ideal model delta sigma weight residual 114.10 121.66 -7.56 2.00e+00 2.50e-01 1.43e+01 angle pdb=" CA GLU 3 176 " pdb=" CB GLU 3 176 " pdb=" CG GLU 3 176 " ideal model delta sigma weight residual 114.10 121.66 -7.56 2.00e+00 2.50e-01 1.43e+01 angle pdb=" CA GLU n 176 " pdb=" CB GLU n 176 " pdb=" CG GLU n 176 " ideal model delta sigma weight residual 114.10 121.66 -7.56 2.00e+00 2.50e-01 1.43e+01 angle pdb=" CA GLU T 176 " pdb=" CB GLU T 176 " pdb=" CG GLU T 176 " ideal model delta sigma weight residual 114.10 121.66 -7.56 2.00e+00 2.50e-01 1.43e+01 ... (remaining 172015 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 11.89: 64709 11.89 - 23.77: 7637 23.77 - 35.66: 2318 35.66 - 47.55: 976 47.55 - 59.43: 183 Dihedral angle restraints: 75823 sinusoidal: 29097 harmonic: 46726 Sorted by residual: dihedral pdb=" CA MET W 250 " pdb=" C MET W 250 " pdb=" N THR W 251 " pdb=" CA THR W 251 " ideal model delta harmonic sigma weight residual 180.00 159.39 20.61 0 5.00e+00 4.00e-02 1.70e+01 dihedral pdb=" CA MET q 250 " pdb=" C MET q 250 " pdb=" N THR q 251 " pdb=" CA THR q 251 " ideal model delta harmonic sigma weight residual 180.00 159.39 20.61 0 5.00e+00 4.00e-02 1.70e+01 dihedral pdb=" CA MET v 250 " pdb=" C MET v 250 " pdb=" N THR v 251 " pdb=" CA THR v 251 " ideal model delta harmonic sigma weight residual 180.00 159.39 20.61 0 5.00e+00 4.00e-02 1.70e+01 ... (remaining 75820 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.053: 14154 0.053 - 0.105: 4524 0.105 - 0.158: 830 0.158 - 0.210: 317 0.210 - 0.263: 61 Chirality restraints: 19886 Sorted by residual: chirality pdb=" CB THR r 83 " pdb=" CA THR r 83 " pdb=" OG1 THR r 83 " pdb=" CG2 THR r 83 " both_signs ideal model delta sigma weight residual False 2.55 2.29 0.26 2.00e-01 2.50e+01 1.73e+00 chirality pdb=" CB THR w 83 " pdb=" CA THR w 83 " pdb=" OG1 THR w 83 " pdb=" CG2 THR w 83 " both_signs ideal model delta sigma weight residual False 2.55 2.29 0.26 2.00e-01 2.50e+01 1.73e+00 chirality pdb=" CB THR S 83 " pdb=" CA THR S 83 " pdb=" OG1 THR S 83 " pdb=" CG2 THR S 83 " both_signs ideal model delta sigma weight residual False 2.55 2.29 0.26 2.00e-01 2.50e+01 1.73e+00 ... (remaining 19883 not shown) Planarity restraints: 22631 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C ASP d 102 " -0.035 5.00e-02 4.00e+02 5.23e-02 4.38e+00 pdb=" N PRO d 103 " 0.090 5.00e-02 4.00e+02 pdb=" CA PRO d 103 " -0.025 5.00e-02 4.00e+02 pdb=" CD PRO d 103 " -0.030 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C ASP J 102 " -0.035 5.00e-02 4.00e+02 5.23e-02 4.38e+00 pdb=" N PRO J 103 " 0.090 5.00e-02 4.00e+02 pdb=" CA PRO J 103 " -0.025 5.00e-02 4.00e+02 pdb=" CD PRO J 103 " -0.030 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C ASP x 102 " 0.035 5.00e-02 4.00e+02 5.23e-02 4.38e+00 pdb=" N PRO x 103 " -0.090 5.00e-02 4.00e+02 pdb=" CA PRO x 103 " 0.025 5.00e-02 4.00e+02 pdb=" CD PRO x 103 " 0.030 5.00e-02 4.00e+02 ... (remaining 22628 not shown) Histogram of nonbonded interaction distances: 2.27 - 2.80: 33308 2.80 - 3.32: 105051 3.32 - 3.85: 228587 3.85 - 4.37: 268092 4.37 - 4.90: 444941 Nonbonded interactions: 1079979 Sorted by model distance: nonbonded pdb=" OH TYR M 123 " pdb=" O SER c 59 " model vdw 2.271 2.440 nonbonded pdb=" OH TYR 6 123 " pdb=" O SER w 59 " model vdw 2.271 2.440 nonbonded pdb=" OH TYR b 123 " pdb=" O SER m 59 " model vdw 2.271 2.440 nonbonded pdb=" OH TYR H 123 " pdb=" O SER 7 59 " model vdw 2.271 2.440 nonbonded pdb=" OH TYR C 123 " pdb=" O SER X 59 " model vdw 2.271 2.440 ... (remaining 1079974 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = chain '0' selection = chain '1' selection = chain '2' selection = chain '3' selection = chain '4' selection = chain '5' selection = chain '6' selection = chain '7' selection = chain '8' selection = chain '9' selection = chain 'A' selection = chain 'B' selection = chain 'C' selection = chain 'D' selection = chain 'E' selection = chain 'F' selection = chain 'G' selection = chain 'H' selection = chain 'I' selection = chain 'J' selection = chain 'K' selection = chain 'L' selection = chain 'M' selection = chain 'N' selection = chain 'O' selection = chain 'P' selection = chain 'Q' selection = chain 'R' selection = chain 'S' selection = chain 'T' selection = chain 'U' selection = chain 'V' selection = chain 'W' selection = chain 'X' selection = chain 'Y' selection = chain 'Z' selection = chain 'a' selection = chain 'b' selection = chain 'c' selection = chain 'd' selection = chain 'e' selection = chain 'f' selection = chain 'g' selection = chain 'h' selection = chain 'i' selection = chain 'j' selection = chain 'k' selection = chain 'l' selection = chain 'm' selection = chain 'n' selection = chain 'o' selection = chain 'p' selection = chain 'q' selection = chain 'r' selection = chain 's' selection = chain 't' selection = chain 'u' selection = chain 'v' selection = chain 'w' selection = chain 'x' selection = chain 'y' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 244 5.16 5 C 77531 2.51 5 N 21350 2.21 5 O 24400 1.98 5 sf(0) = scattering factor at diffraction angle 0. Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as individual isotropic Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 1.740 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: 0.110 Extract box with map and model: 18.640 Check model and map are aligned: 1.340 Convert atoms to be neutral: 0.780 Process input model: 276.060 Find NCS groups from input model: 6.560 Set up NCS constraints: 1.510 Set refine NCS operators: 0.000 Set scattering table: 0.020 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.030 Load rotamer database and sin/cos tables:11.880 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 318.680 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8570 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 0.054 126087 Z= 0.465 Angle : 0.915 9.146 172020 Z= 0.527 Chirality : 0.057 0.263 19886 Planarity : 0.005 0.052 22631 Dihedral : 12.855 59.434 45689 Min Nonbonded Distance : 2.271 Molprobity Statistics. All-atom Clashscore : 3.34 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.36 % Favored : 97.64 % Rotamer Outliers : 0.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.48 (0.06), residues: 16043 helix: -3.50 (0.04), residues: 5368 sheet: 0.33 (0.08), residues: 4331 loop : -1.14 (0.07), residues: 6344 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 32086 Ramachandran restraints generated. 16043 Oldfield, 0 Emsley, 16043 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 32086 Ramachandran restraints generated. 16043 Oldfield, 0 Emsley, 16043 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1875 residues out of total 13176 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1875 time to evaluate : 10.333 Fit side-chains outliers start: 0 outliers final: 0 residues processed: 1875 average time/residue: 2.2381 time to fit residues: 5649.7275 Evaluate side-chains 1347 residues out of total 13176 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1347 time to evaluate : 10.403 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 13.9690 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1586 random chunks: chunk 1339 optimal weight: 7.9990 chunk 1202 optimal weight: 3.9990 chunk 667 optimal weight: 8.9990 chunk 410 optimal weight: 7.9990 chunk 810 optimal weight: 10.0000 chunk 642 optimal weight: 10.0000 chunk 1243 optimal weight: 6.9990 chunk 481 optimal weight: 7.9990 chunk 755 optimal weight: 2.9990 chunk 925 optimal weight: 2.9990 chunk 1440 optimal weight: 0.9980 overall best weight: 3.5988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 30 HIS A 187 HIS A 196 ASN C 30 HIS C 187 HIS D 30 HIS D 187 HIS D 196 ASN E 155 GLN E 187 HIS F 30 HIS F 225 GLN G 30 HIS G 187 HIS G 196 ASN H 30 HIS H 155 GLN H 187 HIS I 30 HIS I 196 ASN J 187 HIS K 30 HIS K 187 HIS K 225 GLN L 30 HIS L 187 HIS L 196 ASN M 30 HIS M 187 HIS N 30 HIS N 187 HIS N 196 ASN O 155 GLN O 187 HIS P 30 HIS P 225 GLN Q 30 HIS Q 187 HIS Q 196 ASN R 30 HIS R 155 GLN R 187 HIS S 30 HIS S 196 ASN T 187 HIS U 30 HIS U 187 HIS U 225 GLN V 30 HIS V 187 HIS V 196 ASN W 30 HIS W 155 GLN W 187 HIS X 30 HIS X 196 ASN Y 155 GLN Z 30 HIS Z 225 GLN 0 30 HIS 0 187 HIS 0 196 ASN 1 30 HIS 1 187 HIS 2 30 HIS 2 187 HIS 2 196 ASN 3 155 GLN 4 30 HIS 4 187 HIS 4 225 GLN 5 30 HIS 5 187 HIS 5 196 ASN 6 30 HIS 6 187 HIS 7 30 HIS 7 187 HIS 7 196 ASN 8 155 GLN 9 30 HIS 9 187 HIS 9 225 GLN a 30 HIS a 187 HIS a 196 ASN b 30 HIS b 155 GLN b 187 HIS c 30 HIS c 196 ASN d 155 GLN e 30 HIS e 225 GLN f 30 HIS f 187 HIS f 196 ASN g 30 HIS g 155 GLN g 187 HIS h 30 HIS h 187 HIS h 196 ASN i 187 HIS j 30 HIS j 187 HIS j 225 GLN k 30 HIS k 187 HIS k 196 ASN l 30 HIS l 187 HIS m 30 HIS m 187 HIS m 196 ASN n 187 HIS o 30 HIS o 187 HIS o 225 GLN p 30 HIS p 187 HIS p 196 ASN q 30 HIS q 187 HIS r 30 HIS r 187 HIS r 196 ASN s 155 GLN s 187 HIS t 30 HIS t 187 HIS t 225 GLN u 30 HIS u 187 HIS u 196 ASN v 30 HIS v 187 HIS w 30 HIS w 187 HIS w 196 ASN x 155 GLN x 187 HIS y 30 HIS y 187 HIS y 225 GLN Total number of N/Q/H flips: 145 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8614 moved from start: 0.1660 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.058 126087 Z= 0.294 Angle : 0.609 7.605 172020 Z= 0.316 Chirality : 0.046 0.141 19886 Planarity : 0.004 0.033 22631 Dihedral : 5.147 19.842 17690 Min Nonbonded Distance : 2.152 Molprobity Statistics. All-atom Clashscore : 7.15 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.19 % Favored : 97.81 % Rotamer Outliers : 3.38 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.09 (0.06), residues: 16043 helix: 0.05 (0.06), residues: 5368 sheet: 0.85 (0.09), residues: 3172 loop : -0.44 (0.07), residues: 7503 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 32086 Ramachandran restraints generated. 16043 Oldfield, 0 Emsley, 16043 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 32086 Ramachandran restraints generated. 16043 Oldfield, 0 Emsley, 16043 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1795 residues out of total 13176 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 445 poor density : 1350 time to evaluate : 10.511 Fit side-chains outliers start: 445 outliers final: 241 residues processed: 1579 average time/residue: 2.1526 time to fit residues: 4658.1697 Evaluate side-chains 1576 residues out of total 13176 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 241 poor density : 1335 time to evaluate : 10.331 Switching outliers to nearest non-outliers outliers start: 241 outliers final: 133 residues processed: 108 average time/residue: 1.0812 time to fit residues: 217.6293 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1586 random chunks: chunk 800 optimal weight: 4.9990 chunk 446 optimal weight: 9.9990 chunk 1198 optimal weight: 4.9990 chunk 980 optimal weight: 0.3980 chunk 397 optimal weight: 8.9990 chunk 1442 optimal weight: 10.0000 chunk 1558 optimal weight: 7.9990 chunk 1285 optimal weight: 5.9990 chunk 1430 optimal weight: 6.9990 chunk 491 optimal weight: 7.9990 chunk 1157 optimal weight: 10.0000 overall best weight: 4.6788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: D 196 ASN D 225 GLN I 187 HIS I 196 ASN I 225 GLN N 196 ASN N 225 GLN S 187 HIS S 196 ASN S 225 GLN X 187 HIS X 196 ASN X 225 GLN Y 187 HIS 2 225 GLN 3 187 HIS 7 225 GLN 8 187 HIS c 187 HIS c 196 ASN c 225 GLN d 187 HIS h 196 ASN h 225 GLN m 196 ASN m 225 GLN r 196 ASN r 225 GLN w 196 ASN w 225 GLN Total number of N/Q/H flips: 30 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8635 moved from start: 0.1929 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.076 126087 Z= 0.359 Angle : 0.623 8.372 172020 Z= 0.322 Chirality : 0.047 0.147 19886 Planarity : 0.004 0.028 22631 Dihedral : 5.244 20.943 17690 Min Nonbonded Distance : 2.135 Molprobity Statistics. All-atom Clashscore : 7.08 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.36 % Favored : 97.64 % Rotamer Outliers : 4.42 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.74 (0.07), residues: 16043 helix: 1.23 (0.07), residues: 5429 sheet: 0.64 (0.08), residues: 4453 loop : -0.18 (0.08), residues: 6161 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 32086 Ramachandran restraints generated. 16043 Oldfield, 0 Emsley, 16043 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 32086 Ramachandran restraints generated. 16043 Oldfield, 0 Emsley, 16043 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1930 residues out of total 13176 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 583 poor density : 1347 time to evaluate : 10.178 Fit side-chains outliers start: 583 outliers final: 363 residues processed: 1678 average time/residue: 2.1362 time to fit residues: 4996.6434 Evaluate side-chains 1710 residues out of total 13176 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 363 poor density : 1347 time to evaluate : 10.520 Switching outliers to nearest non-outliers outliers start: 363 outliers final: 255 residues processed: 108 average time/residue: 1.0824 time to fit residues: 220.1243 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1586 random chunks: chunk 1425 optimal weight: 10.0000 chunk 1084 optimal weight: 6.9990 chunk 748 optimal weight: 0.0170 chunk 159 optimal weight: 0.8980 chunk 688 optimal weight: 9.9990 chunk 968 optimal weight: 0.3980 chunk 1448 optimal weight: 0.8980 chunk 1533 optimal weight: 10.0000 chunk 756 optimal weight: 2.9990 chunk 1372 optimal weight: 0.0470 chunk 413 optimal weight: 9.9990 overall best weight: 0.4516 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 196 ASN D 196 ASN D 225 GLN G 196 ASN I 196 ASN I 225 GLN L 196 ASN N 196 ASN N 225 GLN Q 196 ASN S 196 ASN S 225 GLN V 196 ASN X 196 ASN X 225 GLN 0 196 ASN 2 196 ASN 2 225 GLN 5 196 ASN 7 196 ASN 7 225 GLN a 196 ASN c 196 ASN c 225 GLN f 196 ASN h 196 ASN h 225 GLN k 196 ASN m 196 ASN m 225 GLN p 196 ASN r 196 ASN r 225 GLN u 196 ASN w 196 ASN w 225 GLN Total number of N/Q/H flips: 36 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8555 moved from start: 0.2075 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.002 0.020 126087 Z= 0.117 Angle : 0.484 8.754 172020 Z= 0.242 Chirality : 0.042 0.127 19886 Planarity : 0.003 0.036 22631 Dihedral : 4.392 16.858 17690 Min Nonbonded Distance : 2.190 Molprobity Statistics. All-atom Clashscore : 6.10 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.80 % Favored : 98.20 % Rotamer Outliers : 3.79 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 1.23 (0.07), residues: 16043 helix: 1.90 (0.07), residues: 5490 sheet: 0.51 (0.08), residues: 4575 loop : 0.17 (0.09), residues: 5978 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 32086 Ramachandran restraints generated. 16043 Oldfield, 0 Emsley, 16043 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 32086 Ramachandran restraints generated. 16043 Oldfield, 0 Emsley, 16043 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1999 residues out of total 13176 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 499 poor density : 1500 time to evaluate : 10.399 Fit side-chains outliers start: 499 outliers final: 202 residues processed: 1873 average time/residue: 2.0121 time to fit residues: 5313.6255 Evaluate side-chains 1618 residues out of total 13176 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 202 poor density : 1416 time to evaluate : 10.567 Switching outliers to nearest non-outliers outliers start: 202 outliers final: 178 residues processed: 24 average time/residue: 0.9195 time to fit residues: 55.0812 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1586 random chunks: chunk 1276 optimal weight: 8.9990 chunk 870 optimal weight: 20.0000 chunk 22 optimal weight: 50.0000 chunk 1141 optimal weight: 10.0000 chunk 632 optimal weight: 0.9980 chunk 1308 optimal weight: 0.8980 chunk 1059 optimal weight: 10.0000 chunk 1 optimal weight: 50.0000 chunk 782 optimal weight: 9.9990 chunk 1376 optimal weight: 7.9990 chunk 386 optimal weight: 9.9990 overall best weight: 5.7786 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 196 ASN D 155 GLN D 225 GLN G 196 ASN I 155 GLN I 225 GLN L 196 ASN N 155 GLN N 225 GLN Q 196 ASN S 155 GLN S 225 GLN V 196 ASN X 155 GLN X 225 GLN 0 196 ASN 2 155 GLN 2 225 GLN 5 196 ASN 7 155 GLN 7 225 GLN a 196 ASN c 155 GLN c 225 GLN f 196 ASN h 155 GLN h 225 GLN k 196 ASN m 155 GLN m 225 GLN p 196 ASN r 155 GLN r 225 GLN u 196 ASN w 155 GLN w 225 GLN Total number of N/Q/H flips: 36 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8638 moved from start: 0.2159 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 0.091 126087 Z= 0.434 Angle : 0.651 8.767 172020 Z= 0.335 Chirality : 0.049 0.157 19886 Planarity : 0.005 0.036 22631 Dihedral : 5.197 20.564 17690 Min Nonbonded Distance : 2.116 Molprobity Statistics. All-atom Clashscore : 8.04 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.13 % Favored : 97.87 % Rotamer Outliers : 4.17 % 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: 1.26 (0.07), residues: 16043 helix: 1.71 (0.07), residues: 5490 sheet: 0.85 (0.08), residues: 4209 loop : 0.16 (0.08), residues: 6344 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 32086 Ramachandran restraints generated. 16043 Oldfield, 0 Emsley, 16043 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 32086 Ramachandran restraints generated. 16043 Oldfield, 0 Emsley, 16043 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1951 residues out of total 13176 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 550 poor density : 1401 time to evaluate : 10.912 Fit side-chains outliers start: 550 outliers final: 370 residues processed: 1795 average time/residue: 2.0676 time to fit residues: 5195.3919 Evaluate side-chains 1738 residues out of total 13176 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 370 poor density : 1368 time to evaluate : 10.502 Switching outliers to nearest non-outliers outliers start: 370 outliers final: 274 residues processed: 96 average time/residue: 1.4923 time to fit residues: 236.3887 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1586 random chunks: chunk 515 optimal weight: 6.9990 chunk 1380 optimal weight: 0.9980 chunk 303 optimal weight: 7.9990 chunk 900 optimal weight: 10.0000 chunk 378 optimal weight: 4.9990 chunk 1534 optimal weight: 3.9990 chunk 1273 optimal weight: 5.9990 chunk 710 optimal weight: 2.9990 chunk 127 optimal weight: 7.9990 chunk 507 optimal weight: 6.9990 chunk 805 optimal weight: 5.9990 overall best weight: 3.7988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 196 ASN G 196 ASN I 225 GLN L 196 ASN Q 196 ASN V 196 ASN 0 196 ASN 2 225 GLN 5 196 ASN a 196 ASN c 225 GLN f 196 ASN h 225 GLN k 196 ASN p 196 ASN r 225 GLN u 196 ASN Total number of N/Q/H flips: 17 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8624 moved from start: 0.2221 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.066 126087 Z= 0.306 Angle : 0.588 9.371 172020 Z= 0.301 Chirality : 0.046 0.145 19886 Planarity : 0.004 0.033 22631 Dihedral : 5.044 20.311 17690 Min Nonbonded Distance : 2.152 Molprobity Statistics. All-atom Clashscore : 7.61 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.04 % Favored : 97.96 % Rotamer Outliers : 3.35 % 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: 1.18 (0.07), residues: 16043 helix: 1.85 (0.07), residues: 5490 sheet: 0.39 (0.08), residues: 4270 loop : 0.24 (0.08), residues: 6283 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 32086 Ramachandran restraints generated. 16043 Oldfield, 0 Emsley, 16043 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 32086 Ramachandran restraints generated. 16043 Oldfield, 0 Emsley, 16043 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1881 residues out of total 13176 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 441 poor density : 1440 time to evaluate : 10.206 Fit side-chains outliers start: 441 outliers final: 321 residues processed: 1782 average time/residue: 2.0971 time to fit residues: 5208.3579 Evaluate side-chains 1714 residues out of total 13176 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 321 poor density : 1393 time to evaluate : 10.489 Switching outliers to nearest non-outliers outliers start: 321 outliers final: 273 residues processed: 48 average time/residue: 0.9023 time to fit residues: 96.3271 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1586 random chunks: chunk 1479 optimal weight: 7.9990 chunk 172 optimal weight: 10.0000 chunk 874 optimal weight: 9.9990 chunk 1120 optimal weight: 0.9990 chunk 868 optimal weight: 0.9990 chunk 1291 optimal weight: 6.9990 chunk 856 optimal weight: 6.9990 chunk 1528 optimal weight: 8.9990 chunk 956 optimal weight: 4.9990 chunk 931 optimal weight: 8.9990 chunk 705 optimal weight: 1.9990 overall best weight: 3.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 196 ASN D 196 ASN G 196 ASN I 196 ASN I 225 GLN L 196 ASN Q 196 ASN S 196 ASN V 196 ASN X 196 ASN 0 196 ASN 2 225 GLN 5 196 ASN a 196 ASN c 196 ASN c 225 GLN f 196 ASN h 196 ASN h 225 GLN k 196 ASN m 196 ASN p 196 ASN r 196 ASN r 225 GLN u 196 ASN w 196 ASN Total number of N/Q/H flips: 26 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8618 moved from start: 0.2261 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.057 126087 Z= 0.266 Angle : 0.565 9.538 172020 Z= 0.288 Chirality : 0.045 0.141 19886 Planarity : 0.004 0.024 22631 Dihedral : 4.924 19.935 17690 Min Nonbonded Distance : 2.160 Molprobity Statistics. All-atom Clashscore : 7.41 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.28 % Favored : 97.72 % Rotamer Outliers : 3.28 % 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: 1.26 (0.07), residues: 16043 helix: 1.96 (0.07), residues: 5490 sheet: 0.74 (0.08), residues: 3965 loop : 0.01 (0.08), residues: 6588 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 32086 Ramachandran restraints generated. 16043 Oldfield, 0 Emsley, 16043 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 32086 Ramachandran restraints generated. 16043 Oldfield, 0 Emsley, 16043 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1819 residues out of total 13176 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 432 poor density : 1387 time to evaluate : 10.406 Fit side-chains outliers start: 432 outliers final: 315 residues processed: 1726 average time/residue: 2.1007 time to fit residues: 5052.7118 Evaluate side-chains 1675 residues out of total 13176 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 315 poor density : 1360 time to evaluate : 9.488 Switching outliers to nearest non-outliers outliers start: 315 outliers final: 279 residues processed: 36 average time/residue: 0.8719 time to fit residues: 73.2360 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1586 random chunks: chunk 945 optimal weight: 0.9990 chunk 610 optimal weight: 1.9990 chunk 912 optimal weight: 1.9990 chunk 460 optimal weight: 7.9990 chunk 300 optimal weight: 2.9990 chunk 296 optimal weight: 5.9990 chunk 971 optimal weight: 10.0000 chunk 1041 optimal weight: 3.9990 chunk 755 optimal weight: 3.9990 chunk 142 optimal weight: 9.9990 chunk 1201 optimal weight: 10.0000 overall best weight: 2.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 196 ASN D 196 ASN G 196 ASN I 196 ASN I 225 GLN L 196 ASN N 196 ASN Q 196 ASN S 196 ASN V 196 ASN X 196 ASN 0 196 ASN 2 196 ASN 2 225 GLN 5 196 ASN 7 196 ASN a 196 ASN c 196 ASN c 225 GLN f 196 ASN h 196 ASN h 225 GLN k 196 ASN m 196 ASN p 196 ASN r 196 ASN r 225 GLN u 196 ASN w 196 ASN Total number of N/Q/H flips: 29 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8606 moved from start: 0.2307 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.043 126087 Z= 0.215 Angle : 0.541 9.677 172020 Z= 0.272 Chirality : 0.044 0.134 19886 Planarity : 0.003 0.023 22631 Dihedral : 4.771 19.023 17690 Min Nonbonded Distance : 2.169 Molprobity Statistics. All-atom Clashscore : 7.14 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.84 % Favored : 98.16 % Rotamer Outliers : 2.94 % 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: 1.37 (0.07), residues: 16043 helix: 2.10 (0.07), residues: 5490 sheet: 0.71 (0.08), residues: 3965 loop : 0.09 (0.08), residues: 6588 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 32086 Ramachandran restraints generated. 16043 Oldfield, 0 Emsley, 16043 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 32086 Ramachandran restraints generated. 16043 Oldfield, 0 Emsley, 16043 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1766 residues out of total 13176 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 388 poor density : 1378 time to evaluate : 10.501 Fit side-chains outliers start: 388 outliers final: 291 residues processed: 1694 average time/residue: 2.1389 time to fit residues: 5099.4551 Evaluate side-chains 1638 residues out of total 13176 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 291 poor density : 1347 time to evaluate : 10.432 Switching outliers to nearest non-outliers outliers start: 291 outliers final: 267 residues processed: 24 average time/residue: 0.9932 time to fit residues: 58.5984 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1586 random chunks: chunk 1390 optimal weight: 9.9990 chunk 1464 optimal weight: 0.7980 chunk 1336 optimal weight: 1.9990 chunk 1424 optimal weight: 4.9990 chunk 857 optimal weight: 9.9990 chunk 620 optimal weight: 9.9990 chunk 1118 optimal weight: 6.9990 chunk 437 optimal weight: 9.9990 chunk 1287 optimal weight: 9.9990 chunk 1347 optimal weight: 9.9990 chunk 1419 optimal weight: 0.9980 overall best weight: 3.1586 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 196 ASN D 196 ASN G 196 ASN I 196 ASN I 225 GLN L 196 ASN N 196 ASN Q 196 ASN S 196 ASN V 196 ASN X 196 ASN 0 196 ASN 2 196 ASN 2 225 GLN 5 196 ASN 7 196 ASN a 196 ASN c 196 ASN c 225 GLN f 196 ASN h 196 ASN h 225 GLN k 196 ASN m 196 ASN p 196 ASN r 196 ASN r 225 GLN u 196 ASN w 196 ASN Total number of N/Q/H flips: 29 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8617 moved from start: 0.2314 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.057 126087 Z= 0.265 Angle : 0.569 9.889 172020 Z= 0.287 Chirality : 0.045 0.139 19886 Planarity : 0.004 0.024 22631 Dihedral : 4.892 19.995 17690 Min Nonbonded Distance : 2.161 Molprobity Statistics. All-atom Clashscore : 7.38 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.19 % Favored : 97.81 % Rotamer Outliers : 2.85 % 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: 1.28 (0.07), residues: 16043 helix: 2.05 (0.07), residues: 5490 sheet: 0.68 (0.09), residues: 3721 loop : 0.03 (0.08), residues: 6832 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 32086 Ramachandran restraints generated. 16043 Oldfield, 0 Emsley, 16043 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 32086 Ramachandran restraints generated. 16043 Oldfield, 0 Emsley, 16043 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1758 residues out of total 13176 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 375 poor density : 1383 time to evaluate : 10.501 Fit side-chains outliers start: 375 outliers final: 303 residues processed: 1698 average time/residue: 2.1017 time to fit residues: 4988.0933 Evaluate side-chains 1676 residues out of total 13176 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 303 poor density : 1373 time to evaluate : 10.451 Switching outliers to nearest non-outliers outliers start: 303 outliers final: 267 residues processed: 36 average time/residue: 0.9111 time to fit residues: 76.1781 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1586 random chunks: chunk 935 optimal weight: 10.0000 chunk 1506 optimal weight: 3.9990 chunk 919 optimal weight: 0.8980 chunk 714 optimal weight: 7.9990 chunk 1047 optimal weight: 8.9990 chunk 1580 optimal weight: 8.9990 chunk 1454 optimal weight: 9.9990 chunk 1258 optimal weight: 1.9990 chunk 130 optimal weight: 9.9990 chunk 971 optimal weight: 10.0000 chunk 771 optimal weight: 6.9990 overall best weight: 4.3788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 196 ASN D 155 GLN D 196 ASN G 196 ASN I 155 GLN I 196 ASN I 225 GLN L 196 ASN N 155 GLN N 196 ASN Q 196 ASN S 155 GLN S 196 ASN V 196 ASN X 155 GLN X 196 ASN 0 196 ASN 2 155 GLN 2 196 ASN 2 225 GLN 5 196 ASN 7 155 GLN 7 196 ASN a 196 ASN c 155 GLN c 196 ASN c 225 GLN f 196 ASN h 155 GLN h 196 ASN h 225 GLN k 196 ASN m 155 GLN m 196 ASN p 196 ASN r 155 GLN r 196 ASN r 225 GLN u 196 ASN w 155 GLN w 196 ASN Total number of N/Q/H flips: 41 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8630 moved from start: 0.2344 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.078 126087 Z= 0.344 Angle : 0.613 10.110 172020 Z= 0.312 Chirality : 0.047 0.156 19886 Planarity : 0.004 0.029 22631 Dihedral : 5.103 21.684 17690 Min Nonbonded Distance : 2.135 Molprobity Statistics. All-atom Clashscore : 7.72 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.12 % Favored : 97.88 % Rotamer Outliers : 2.34 % 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: 1.21 (0.07), residues: 16043 helix: 1.93 (0.07), residues: 5490 sheet: 0.67 (0.09), residues: 3721 loop : 0.03 (0.08), residues: 6832 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 32086 Ramachandran restraints generated. 16043 Oldfield, 0 Emsley, 16043 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 32086 Ramachandran restraints generated. 16043 Oldfield, 0 Emsley, 16043 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1678 residues out of total 13176 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 308 poor density : 1370 time to evaluate : 10.427 Fit side-chains outliers start: 308 outliers final: 279 residues processed: 1637 average time/residue: 2.0997 time to fit residues: 4781.9340 Evaluate side-chains 1638 residues out of total 13176 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 279 poor density : 1359 time to evaluate : 10.475 Switching outliers to nearest non-outliers outliers start: 279 outliers final: 267 residues processed: 12 average time/residue: 1.0015 time to fit residues: 35.6240 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1586 random chunks: chunk 999 optimal weight: 6.9990 chunk 1340 optimal weight: 5.9990 chunk 385 optimal weight: 9.9990 chunk 1160 optimal weight: 10.0000 chunk 185 optimal weight: 0.9980 chunk 349 optimal weight: 0.9980 chunk 1260 optimal weight: 6.9990 chunk 527 optimal weight: 10.0000 chunk 1294 optimal weight: 4.9990 chunk 159 optimal weight: 1.9990 chunk 232 optimal weight: 1.9990 overall best weight: 2.1986 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 196 ASN D 155 GLN D 196 ASN G 196 ASN I 155 GLN I 196 ASN I 225 GLN L 196 ASN N 155 GLN N 196 ASN Q 196 ASN S 155 GLN V 196 ASN X 155 GLN 0 196 ASN 2 155 GLN 2 196 ASN 2 225 GLN 5 196 ASN 7 155 GLN 7 196 ASN a 196 ASN c 155 GLN c 196 ASN c 225 GLN f 196 ASN h 155 GLN h 196 ASN h 225 GLN k 196 ASN m 155 GLN m 196 ASN p 196 ASN r 155 GLN r 196 ASN r 225 GLN u 196 ASN w 155 GLN w 196 ASN Total number of N/Q/H flips: 39 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3435 r_free = 0.3435 target = 0.128238 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 38)----------------| | r_work = 0.3224 r_free = 0.3224 target = 0.112278 restraints weight = 138893.674| |-----------------------------------------------------------------------------| r_work (start): 0.3191 rms_B_bonded: 0.78 r_work: 0.3156 rms_B_bonded: 0.75 restraints_weight: 0.5000 r_work: 0.3134 rms_B_bonded: 0.88 restraints_weight: 0.2500 r_work: 0.3104 rms_B_bonded: 1.18 restraints_weight: 0.1250 r_work: 0.3057 rms_B_bonded: 1.76 restraints_weight: 0.0625 r_work: 0.2975 rms_B_bonded: 2.91 restraints_weight: 0.0312 r_work (final): 0.2975 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8811 moved from start: 0.2342 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.044 126087 Z= 0.209 Angle : 0.544 10.053 172020 Z= 0.273 Chirality : 0.043 0.135 19886 Planarity : 0.003 0.023 22631 Dihedral : 4.775 19.514 17690 Min Nonbonded Distance : 2.175 Molprobity Statistics. All-atom Clashscore : 7.06 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.19 % Favored : 97.81 % Rotamer Outliers : 2.37 % 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: 1.33 (0.07), residues: 16043 helix: 2.11 (0.07), residues: 5490 sheet: 0.67 (0.09), residues: 3721 loop : 0.07 (0.08), residues: 6832 =============================================================================== Job complete usr+sys time: 60972.64 seconds wall clock time: 1035 minutes 28.35 seconds (62128.35 seconds total)