Starting phenix.real_space_refine on Fri Dec 8 17:33:13 2023 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/5zwm_6972/12_2023/5zwm_6972_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/5zwm_6972/12_2023/5zwm_6972.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.4 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/5zwm_6972/12_2023/5zwm_6972.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/5zwm_6972/12_2023/5zwm_6972.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/5zwm_6972/12_2023/5zwm_6972_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/5zwm_6972/12_2023/5zwm_6972_updated.pdb" } resolution = 3.4 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.001 sd= 0.008 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 7 Type Number sf(0) Gaussians Zn 6 6.06 5 P 636 5.49 5 Mg 1 5.21 5 S 397 5.16 5 C 67736 2.51 5 N 19421 2.21 5 O 22844 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A TYR 154": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 313": "NH1" <-> "NH2" Residue "A PHE 452": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 458": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 488": "NH1" <-> "NH2" Residue "A PHE 506": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 597": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 610": "NH1" <-> "NH2" Residue "A TYR 655": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 691": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 749": "NH1" <-> "NH2" Residue "A ARG 780": "NH1" <-> "NH2" Residue "A ARG 814": "NH1" <-> "NH2" Residue "A ARG 833": "NH1" <-> "NH2" Residue "A PHE 1260": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 1499": "NH1" <-> "NH2" Residue "A ARG 1511": "NH1" <-> "NH2" Residue "A PHE 1514": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 1574": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 1633": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 1692": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 1734": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 2163": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 2333": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ARG 53": "NH1" <-> "NH2" Residue "K ARG 75": "NH1" <-> "NH2" Residue "K ARG 131": "NH1" <-> "NH2" Residue "K ARG 142": "NH1" <-> "NH2" Residue "K ARG 393": "NH1" <-> "NH2" Residue "L ARG 122": "NH1" <-> "NH2" Residue "L ARG 367": "NH1" <-> "NH2" Residue "L PHE 393": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 6": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ARG 130": "NH1" <-> "NH2" Residue "N ARG 134": "NH1" <-> "NH2" Residue "N ARG 143": "NH1" <-> "NH2" Residue "N ARG 211": "NH1" <-> "NH2" Residue "N ARG 688": "NH1" <-> "NH2" Residue "J ARG 243": "NH1" <-> "NH2" Residue "J ARG 314": "NH1" <-> "NH2" Residue "J ARG 322": "NH1" <-> "NH2" Residue "J ARG 353": "NH1" <-> "NH2" Residue "J ARG 371": "NH1" <-> "NH2" Residue "J PHE 406": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 56": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E PHE 105": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ARG 46": "NH1" <-> "NH2" Residue "M PHE 51": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 78": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ARG 89": "NH1" <-> "NH2" Residue "C ARG 176": "NH1" <-> "NH2" Residue "C ARG 187": "NH1" <-> "NH2" Residue "C TYR 330": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 370": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 578": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 768": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 931": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ARG 197": "NH1" <-> "NH2" Residue "O ARG 203": "NH1" <-> "NH2" Residue "D ARG 593": "NH1" <-> "NH2" Residue "D ARG 685": "NH1" <-> "NH2" Residue "D ARG 747": "NH1" <-> "NH2" Residue "D ARG 1047": "NH1" <-> "NH2" Residue "D ARG 1213": "NH1" <-> "NH2" Residue "D ARG 1462": "NH1" <-> "NH2" Residue "D ARG 1781": "NH1" <-> "NH2" Residue "h ARG 11": "NH1" <-> "NH2" Residue "h GLU 90": "OE1" <-> "OE2" Residue "j ARG 82": "NH1" <-> "NH2" Residue "k ARG 30": "NH1" <-> "NH2" Residue "k ASP 41": "OD1" <-> "OD2" Residue "l PHE 84": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m ARG 88": "NH1" <-> "NH2" Residue "n ARG 63": "NH1" <-> "NH2" Residue "n GLU 70": "OE1" <-> "OE2" Residue "n ARG 97": "NH1" <-> "NH2" Residue "1 ARG 186": "NH1" <-> "NH2" Residue "1 ARG 476": "NH1" <-> "NH2" Residue "1 ARG 556": "NH1" <-> "NH2" Residue "1 ARG 593": "NH1" <-> "NH2" Residue "1 TYR 795": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ARG 849": "NH1" <-> "NH2" Residue "1 ARG 898": "NH1" <-> "NH2" Residue "1 TYR 918": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ARG 931": "NH1" <-> "NH2" Residue "1 ARG 936": "NH1" <-> "NH2" Residue "2 ARG 155": "NH1" <-> "NH2" Residue "2 TYR 271": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 345": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ARG 170": "NH1" <-> "NH2" Residue "3 ARG 181": "NH1" <-> "NH2" Residue "3 ARG 185": "NH1" <-> "NH2" Residue "3 ARG 186": "NH1" <-> "NH2" Residue "3 ARG 200": "NH1" <-> "NH2" Residue "3 ARG 223": "NH1" <-> "NH2" Residue "3 ARG 232": "NH1" <-> "NH2" Residue "3 PHE 252": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 PHE 294": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ARG 400": "NH1" <-> "NH2" Residue "3 PHE 441": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ARG 608": "NH1" <-> "NH2" Residue "3 ARG 617": "NH1" <-> "NH2" Residue "3 ARG 631": "NH1" <-> "NH2" Residue "3 ARG 732": "NH1" <-> "NH2" Residue "3 ARG 767": "NH1" <-> "NH2" Residue "3 ARG 768": "NH1" <-> "NH2" Residue "3 ARG 781": "NH1" <-> "NH2" Residue "3 ARG 839": "NH1" <-> "NH2" Residue "3 ARG 870": "NH1" <-> "NH2" Residue "3 ARG 875": "NH1" <-> "NH2" Residue "3 ARG 952": "NH1" <-> "NH2" Residue "3 TYR 971": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ARG 989": "NH1" <-> "NH2" Residue "3 ARG 1002": "NH1" <-> "NH2" Residue "3 ARG 1061": "NH1" <-> "NH2" Residue "3 ARG 1084": "NH1" <-> "NH2" Residue "3 TYR 1109": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ARG 1116": "NH1" <-> "NH2" Residue "3 ARG 1134": "NH1" <-> "NH2" Residue "3 TYR 1218": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ARG 1308": "NH1" <-> "NH2" Residue "3 ARG 1315": "NH1" <-> "NH2" Residue "3 ARG 1328": "NH1" <-> "NH2" Residue "3 ARG 1357": "NH1" <-> "NH2" Residue "4 TYR 52": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 58": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 PHE 51": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 ARG 6": "NH1" <-> "NH2" Residue "6 ARG 36": "NH1" <-> "NH2" Residue "Y ARG 155": "NH1" <-> "NH2" Residue "Y ARG 212": "NH1" <-> "NH2" Residue "Z GLU 41": "OE1" <-> "OE2" Residue "u TYR 141": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ARG 228": "NH1" <-> "NH2" Residue "u GLU 318": "OE1" <-> "OE2" Residue "u ARG 341": "NH1" <-> "NH2" Residue "u ARG 445": "NH1" <-> "NH2" Residue "w GLU 172": "OE1" <-> "OE2" Residue "w GLU 180": "OE1" <-> "OE2" Residue "v GLU 222": "OE1" <-> "OE2" Time to flip residues: 0.23s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/chem_data/mon_lib" Total number of atoms: 111041 Number of models: 1 Model: "" Number of chains: 61 Chain: "A" Number of atoms: 17877 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2177, 17877 Classifications: {'peptide': 2177} Incomplete info: {'truncation_to_alanine': 6} Link IDs: {'PTRANS': 110, 'TRANS': 2066} Chain breaks: 3 Unresolved non-hydrogen bonds: 28 Unresolved non-hydrogen angles: 36 Unresolved non-hydrogen dihedrals: 23 Planarities with less than four sites: {'TYR:plan': 1, 'GLU:plan': 5} Unresolved non-hydrogen planarities: 27 Chain: "K" Number of atoms: 3375 Number of conformers: 1 Conformer: "" Number of residues, atoms: 429, 3375 Classifications: {'peptide': 429} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 5} Link IDs: {'PTRANS': 10, 'TRANS': 418} Chain breaks: 1 Unresolved non-hydrogen bonds: 28 Unresolved non-hydrogen angles: 37 Unresolved non-hydrogen dihedrals: 25 Planarities with less than four sites: {'PHE:plan': 3, 'ASN%COO:oxt': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 25 Chain: "L" Number of atoms: 3171 Number of conformers: 1 Conformer: "" Number of residues, atoms: 416, 3171 Classifications: {'peptide': 416} Incomplete info: {'truncation_to_alanine': 43} Link IDs: {'PTRANS': 17, 'TRANS': 398} Chain breaks: 2 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 151 Unresolved non-hydrogen angles: 191 Unresolved non-hydrogen dihedrals: 120 Unresolved non-hydrogen chiralities: 17 Planarities with less than four sites: {'GLN:plan1': 4, 'ASN:plan1': 1, 'ASP:plan': 1, 'PHE:plan': 3, 'GLU:plan': 6, 'ARG:plan': 2} Unresolved non-hydrogen planarities: 74 Chain: "N" Number of atoms: 4897 Number of conformers: 1 Conformer: "" Number of residues, atoms: 728, 4897 Classifications: {'peptide': 728} Incomplete info: {'truncation_to_alanine': 297} Link IDs: {'PCIS': 2, 'PTRANS': 23, 'TRANS': 702} Chain breaks: 24 Unresolved chain link angles: 10 Unresolved non-hydrogen bonds: 1114 Unresolved non-hydrogen angles: 1413 Unresolved non-hydrogen dihedrals: 942 Unresolved non-hydrogen chiralities: 92 Planarities with less than four sites: {'GLN:plan1': 16, 'HIS:plan': 3, 'TYR:plan': 12, 'ASN:plan1': 16, 'TRP:plan': 7, 'ASP:plan': 17, 'PHE:plan': 13, 'GLU:plan': 29, 'ARG:plan': 16} Unresolved non-hydrogen planarities: 599 Chain: "J" Number of atoms: 2439 Number of conformers: 1 Conformer: "" Number of residues, atoms: 304, 2439 Classifications: {'peptide': 304} Incomplete info: {'truncation_to_alanine': 38} Link IDs: {'PTRANS': 11, 'TRANS': 292} Chain breaks: 4 Unresolved chain link angles: 2 Unresolved non-hydrogen bonds: 142 Unresolved non-hydrogen angles: 172 Unresolved non-hydrogen dihedrals: 116 Unresolved non-hydrogen chiralities: 8 Planarities with less than four sites: {'GLN:plan1': 5, 'GLU:plan': 9, 'HIS:plan': 1, 'ARG:plan': 2, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 77 Chain: "E" Number of atoms: 1146 Number of conformers: 1 Conformer: "" Number of residues, atoms: 139, 1146 Classifications: {'peptide': 139} Link IDs: {'PTRANS': 3, 'TRANS': 135} Chain: "M" Number of atoms: 950 Number of conformers: 1 Conformer: "" Number of residues, atoms: 126, 950 Classifications: {'peptide': 126} Link IDs: {'PCIS': 2, 'PTRANS': 6, 'TRANS': 117} Chain: "C" Number of atoms: 6732 Number of conformers: 1 Conformer: "" Number of residues, atoms: 843, 6732 Classifications: {'peptide': 843} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 45, 'TRANS': 797} Chain breaks: 2 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 6 Unresolved non-hydrogen angles: 8 Unresolved non-hydrogen dihedrals: 5 Unresolved non-hydrogen chiralities: 1 Chain: "z" Number of atoms: 260 Number of conformers: 1 Conformer: "" Number of residues, atoms: 65, 260 Classifications: {'peptide': 65} Incomplete info: {'backbone_only': 61} Link IDs: {'TRANS': 64} Unresolved non-hydrogen bonds: 254 Unresolved non-hydrogen angles: 367 Unresolved non-hydrogen dihedrals: 152 Unresolved non-hydrogen chiralities: 86 Planarities with less than four sites: {'GLN:plan1': 1, 'TYR:plan': 1, 'ASN:plan1': 6, 'ASP:plan': 3, 'PHE:plan': 4, 'GLU:plan': 3, 'ARG:plan': 3} Unresolved non-hydrogen planarities: 103 Chain: "q" Number of atoms: 368 Number of conformers: 1 Conformer: "" Number of residues, atoms: 92, 368 Classifications: {'peptide': 92} Incomplete info: {'backbone_only': 89} Link IDs: {'PTRANS': 1, 'TRANS': 90} Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 397 Unresolved non-hydrogen angles: 571 Unresolved non-hydrogen dihedrals: 247 Unresolved non-hydrogen chiralities: 122 Planarities with less than four sites: {'GLN:plan1': 4, 'ARG:plan': 5, 'TYR:plan': 3, 'ASN:plan1': 7, 'ASP:plan': 7, 'PHE:plan': 6, 'GLU:plan': 5, 'HIS:plan': 1} Unresolved non-hydrogen planarities: 189 Chain: "r" Number of atoms: 308 Number of conformers: 1 Conformer: "" Number of residues, atoms: 77, 308 Classifications: {'peptide': 77} Incomplete info: {'backbone_only': 74} Link IDs: {'PTRANS': 2, 'TRANS': 74} Unresolved chain link angles: 2 Unresolved non-hydrogen bonds: 310 Unresolved non-hydrogen angles: 452 Unresolved non-hydrogen dihedrals: 182 Unresolved non-hydrogen chiralities: 104 Planarities with less than four sites: {'GLN:plan1': 2, 'HIS:plan': 1, 'TYR:plan': 2, 'ASN:plan1': 4, 'ASP:plan': 5, 'PHE:plan': 2, 'GLU:plan': 7, 'ARG:plan': 6} Unresolved non-hydrogen planarities: 138 Chain: "x" Number of atoms: 296 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 296 Classifications: {'peptide': 74} Incomplete info: {'backbone_only': 69} Link IDs: {'TRANS': 73} Unresolved non-hydrogen bonds: 289 Unresolved non-hydrogen angles: 420 Unresolved non-hydrogen dihedrals: 177 Unresolved non-hydrogen chiralities: 93 Planarities with less than four sites: {'GLN:plan1': 2, 'HIS:plan': 1, 'TYR:plan': 3, 'ASN:plan1': 7, 'ASP:plan': 3, 'PHE:plan': 4, 'GLU:plan': 5, 'ARG:plan': 2} Unresolved non-hydrogen planarities: 136 Chain: "t" Number of atoms: 308 Number of conformers: 1 Conformer: "" Number of residues, atoms: 77, 308 Classifications: {'peptide': 77} Incomplete info: {'backbone_only': 71} Link IDs: {'PTRANS': 2, 'TRANS': 74} Chain breaks: 1 Unresolved chain link angles: 2 Unresolved non-hydrogen bonds: 311 Unresolved non-hydrogen angles: 453 Unresolved non-hydrogen dihedrals: 189 Unresolved non-hydrogen chiralities: 100 Planarities with less than four sites: {'GLN:plan1': 3, 'HIS:plan': 2, 'ASN:plan1': 6, 'TRP:plan': 1, 'ASP:plan': 5, 'PHE:plan': 3, 'GLU:plan': 7, 'ARG:plan': 3} Unresolved non-hydrogen planarities: 142 Chain: "y" Number of atoms: 264 Number of conformers: 1 Conformer: "" Number of residues, atoms: 66, 264 Classifications: {'peptide': 66} Incomplete info: {'backbone_only': 60} Link IDs: {'TRANS': 65} Chain breaks: 1 Unresolved non-hydrogen bonds: 243 Unresolved non-hydrogen angles: 351 Unresolved non-hydrogen dihedrals: 144 Unresolved non-hydrogen chiralities: 87 Planarities with less than four sites: {'GLN:plan1': 1, 'TYR:plan': 3, 'ASN:plan1': 2, 'ASP:plan': 5, 'GLU:plan': 1, 'ARG:plan': 3} Unresolved non-hydrogen planarities: 75 Chain: "s" Number of atoms: 308 Number of conformers: 1 Conformer: "" Number of residues, atoms: 77, 308 Classifications: {'peptide': 77} Incomplete info: {'backbone_only': 73} Link IDs: {'PTRANS': 1, 'TRANS': 75} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 320 Unresolved non-hydrogen angles: 463 Unresolved non-hydrogen dihedrals: 198 Unresolved non-hydrogen chiralities: 101 Planarities with less than four sites: {'GLN:plan1': 5, 'TYR:plan': 3, 'ASN:plan1': 8, 'TRP:plan': 1, 'ASP:plan': 3, 'PHE:plan': 2, 'GLU:plan': 6, 'ARG:plan': 1} Unresolved non-hydrogen planarities: 141 Chain: "F" Number of atoms: 2043 Number of conformers: 1 Conformer: "" Number of residues, atoms: 99, 2043 Classifications: {'RNA': 99} Modifications used: {'rna2p_pur': 5, 'rna2p_pyr': 9, 'rna3p_pur': 45, 'rna3p_pyr': 40} Link IDs: {'rna2p': 13, 'rna3p': 85} Chain breaks: 3 Unresolved non-hydrogen bonds: 67 Unresolved non-hydrogen angles: 106 Unresolved non-hydrogen dihedrals: 64 Unresolved non-hydrogen chiralities: 6 Planarities with less than four sites: {' G%rna3p_pur:plan2': 1, ' C%rna3p_pyr:plan': 1, ' A%rna3p_pur:plan2': 3, ' U%rna3p_pyr:plan': 1, ' C%rna3p_pyr:plan2': 1, ' G%rna3p_pur:plan': 1, ' A%rna3p_pur:plan': 3} Unresolved non-hydrogen planarities: 67 Chain: "I" Number of atoms: 2334 Number of conformers: 1 Conformer: "" Number of residues, atoms: 110, 2334 Classifications: {'RNA': 110} Modifications used: {'rna2p_pur': 9, 'rna2p_pyr': 10, 'rna3p_pur': 45, 'rna3p_pyr': 46} Link IDs: {'rna2p': 19, 'rna3p': 90} Chain breaks: 3 Chain: "B" Number of atoms: 3715 Number of conformers: 1 Conformer: "" Number of residues, atoms: 175, 3715 Classifications: {'RNA': 175} Modifications used: {'5*END': 1, 'rna2p_pur': 14, 'rna2p_pyr': 13, 'rna3p_pur': 74, 'rna3p_pyr': 74} Link IDs: {'rna2p': 27, 'rna3p': 147} Chain breaks: 1 Chain: "O" Number of atoms: 574 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 574 Classifications: {'peptide': 74} Incomplete info: {'truncation_to_alanine': 9} Link IDs: {'TRANS': 73} Chain breaks: 2 Unresolved non-hydrogen bonds: 25 Unresolved non-hydrogen angles: 33 Unresolved non-hydrogen dihedrals: 17 Unresolved non-hydrogen chiralities: 4 Planarities with less than four sites: {'GLU:plan': 1, 'ASP:plan': 3} Unresolved non-hydrogen planarities: 13 Chain: "d" Number of atoms: 316 Number of conformers: 1 Conformer: "" Number of residues, atoms: 79, 316 Classifications: {'peptide': 79} Incomplete info: {'backbone_only': 73} Link IDs: {'PTRANS': 4, 'TRANS': 74} Unresolved chain link angles: 4 Unresolved non-hydrogen bonds: 297 Unresolved non-hydrogen angles: 434 Unresolved non-hydrogen dihedrals: 175 Unresolved non-hydrogen chiralities: 102 Planarities with less than four sites: {'GLN:plan1': 5, 'ASP:plan': 4, 'TYR:plan': 1, 'ASN:plan1': 3, 'HIS:plan': 2, 'PHE:plan': 2, 'GLU:plan': 5, 'ARG:plan': 3} Unresolved non-hydrogen planarities: 117 Chain: "a" Number of atoms: 292 Number of conformers: 1 Conformer: "" Number of residues, atoms: 73, 292 Classifications: {'peptide': 73} Incomplete info: {'backbone_only': 69} Link IDs: {'PTRANS': 1, 'TRANS': 71} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 302 Unresolved non-hydrogen angles: 435 Unresolved non-hydrogen dihedrals: 182 Unresolved non-hydrogen chiralities: 98 Planarities with less than four sites: {'GLN:plan1': 3, 'HIS:plan': 2, 'TYR:plan': 2, 'ASN:plan1': 3, 'ASP:plan': 4, 'PHE:plan': 1, 'GLU:plan': 6, 'ARG:plan': 6} Unresolved non-hydrogen planarities: 129 Chain: "b" Number of atoms: 308 Number of conformers: 1 Conformer: "" Number of residues, atoms: 77, 308 Classifications: {'peptide': 77} Incomplete info: {'backbone_only': 75} Link IDs: {'PTRANS': 3, 'TRANS': 73} Chain breaks: 2 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 298 Unresolved non-hydrogen angles: 438 Unresolved non-hydrogen dihedrals: 170 Unresolved non-hydrogen chiralities: 108 Planarities with less than four sites: {'GLN:plan1': 6, 'ASN:plan1': 7, 'TRP:plan': 1, 'ASP:plan': 5, 'PHE:plan': 1, 'GLU:plan': 2, 'ARG:plan': 2} Unresolved non-hydrogen planarities: 107 Chain: "c" Number of atoms: 360 Number of conformers: 1 Conformer: "" Number of residues, atoms: 90, 360 Classifications: {'peptide': 90} Incomplete info: {'backbone_only': 88} Link IDs: {'PTRANS': 3, 'TRANS': 86} Chain breaks: 1 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 395 Unresolved non-hydrogen angles: 563 Unresolved non-hydrogen dihedrals: 253 Unresolved non-hydrogen chiralities: 118 Planarities with less than four sites: {'HIS:plan': 3, 'ASN:plan1': 7, 'TRP:plan': 1, 'ASP:plan': 3, 'PHE:plan': 5, 'GLU:plan': 9, 'ARG:plan': 7} Unresolved non-hydrogen planarities: 174 Chain: "e" Number of atoms: 288 Number of conformers: 1 Conformer: "" Number of residues, atoms: 72, 288 Classifications: {'peptide': 72} Incomplete info: {'backbone_only': 68} Link IDs: {'PTRANS': 3, 'TRANS': 68} Chain breaks: 2 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 298 Unresolved non-hydrogen angles: 431 Unresolved non-hydrogen dihedrals: 185 Unresolved non-hydrogen chiralities: 96 Planarities with less than four sites: {'GLN:plan1': 4, 'ASN:plan1': 4, 'TRP:plan': 1, 'ASP:plan': 4, 'PHE:plan': 5, 'GLU:plan': 6, 'ARG:plan': 1} Unresolved non-hydrogen planarities: 122 Chain: "f" Number of atoms: 280 Number of conformers: 1 Conformer: "" Number of residues, atoms: 70, 280 Classifications: {'peptide': 70} Incomplete info: {'backbone_only': 64} Link IDs: {'PTRANS': 3, 'TRANS': 66} Chain breaks: 1 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 293 Unresolved non-hydrogen angles: 424 Unresolved non-hydrogen dihedrals: 186 Unresolved non-hydrogen chiralities: 87 Planarities with less than four sites: {'GLN:plan1': 2, 'ASP:plan': 1, 'TYR:plan': 3, 'ASN:plan1': 7, 'HIS:plan': 2, 'PHE:plan': 4, 'GLU:plan': 6, 'ARG:plan': 4} Unresolved non-hydrogen planarities: 148 Chain: "g" Number of atoms: 280 Number of conformers: 1 Conformer: "" Number of residues, atoms: 70, 280 Classifications: {'peptide': 70} Incomplete info: {'backbone_only': 65} Link IDs: {'PTRANS': 1, 'TRANS': 68} Chain breaks: 2 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 265 Unresolved non-hydrogen angles: 384 Unresolved non-hydrogen dihedrals: 157 Unresolved non-hydrogen chiralities: 89 Planarities with less than four sites: {'GLN:plan1': 1, 'HIS:plan': 1, 'TYR:plan': 2, 'ASN:plan1': 7, 'ASP:plan': 5, 'PHE:plan': 1, 'GLU:plan': 3, 'ARG:plan': 3} Unresolved non-hydrogen planarities: 108 Chain: "D" Number of atoms: 13601 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 1699, 13596 Classifications: {'peptide': 1699} Incomplete info: {'truncation_to_alanine': 5} Link IDs: {'PTRANS': 71, 'TRANS': 1627} Chain breaks: 2 Unresolved non-hydrogen bonds: 19 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 15 Planarities with less than four sites: {'GLU:plan': 1, 'ARG:plan': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 15 Conformer: "B" Number of residues, atoms: 1699, 13596 Classifications: {'peptide': 1699} Incomplete info: {'truncation_to_alanine': 5} Link IDs: {'PTRANS': 71, 'TRANS': 1627} Chain breaks: 2 Unresolved non-hydrogen bonds: 19 Unresolved non-hydrogen angles: 23 Unresolved non-hydrogen dihedrals: 15 Planarities with less than four sites: {'GLU:plan': 1, 'ARG:plan': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 15 bond proxies already assigned to first conformer: 13885 Chain: "P" Number of atoms: 563 Number of conformers: 1 Conformer: "" Number of residues, atoms: 70, 563 Classifications: {'peptide': 70} Link IDs: {'PTRANS': 2, 'TRANS': 67} Chain breaks: 1 Chain: "Q" Number of atoms: 751 Number of conformers: 1 Conformer: "" Number of residues, atoms: 99, 751 Classifications: {'peptide': 99} Incomplete info: {'truncation_to_alanine': 11} Link IDs: {'PTRANS': 4, 'TRANS': 94} Chain breaks: 2 Unresolved non-hydrogen bonds: 38 Unresolved non-hydrogen angles: 46 Unresolved non-hydrogen dihedrals: 30 Unresolved non-hydrogen chiralities: 2 Planarities with less than four sites: {'GLN:plan1': 2, 'ASN:plan1': 2, 'ARG:plan': 2} Unresolved non-hydrogen planarities: 24 Chain: "R" Number of atoms: 752 Number of conformers: 1 Conformer: "" Number of residues, atoms: 92, 752 Classifications: {'peptide': 92} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 3, 'TRANS': 88} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 5 Unresolved non-hydrogen dihedrals: 3 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "S" Number of atoms: 632 Number of conformers: 1 Conformer: "" Number of residues, atoms: 82, 632 Classifications: {'peptide': 82} Link IDs: {'PCIS': 1, 'PTRANS': 3, 'TRANS': 77} Chain: "T" Number of atoms: 602 Number of conformers: 1 Conformer: "" Number of residues, atoms: 77, 602 Classifications: {'peptide': 77} Link IDs: {'PTRANS': 5, 'TRANS': 71} Chain breaks: 1 Chain: "U" Number of atoms: 585 Number of conformers: 1 Conformer: "" Number of residues, atoms: 73, 585 Classifications: {'peptide': 73} Link IDs: {'PTRANS': 2, 'TRANS': 70} Chain: "V" Number of atoms: 577 Number of conformers: 1 Conformer: "" Number of residues, atoms: 75, 577 Classifications: {'peptide': 75} Link IDs: {'PTRANS': 2, 'TRANS': 72} Chain: "G" Number of atoms: 928 Number of conformers: 1 Conformer: "" Number of residues, atoms: 44, 928 Classifications: {'RNA': 44} Modifications used: {'rna2p_pur': 8, 'rna2p_pyr': 6, 'rna3p_pur': 15, 'rna3p_pyr': 15} Link IDs: {'rna2p': 14, 'rna3p': 29} Chain: "H" Number of atoms: 4345 Number of conformers: 1 Conformer: "" Number of residues, atoms: 206, 4345 Classifications: {'RNA': 206} Modifications used: {'rna2p_pur': 5, 'rna2p_pyr': 8, 'rna3p_pur': 86, 'rna3p_pyr': 107} Link IDs: {'rna2p': 13, 'rna3p': 192} Chain breaks: 10 Unresolved non-hydrogen bonds: 12 Unresolved non-hydrogen angles: 19 Unresolved non-hydrogen dihedrals: 12 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {' A%rna3p_pur:plan2': 1, ' A%rna3p_pur:plan': 1} Unresolved non-hydrogen planarities: 12 Chain: "h" Number of atoms: 610 Number of conformers: 1 Conformer: "" Number of residues, atoms: 78, 610 Classifications: {'peptide': 78} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 2, 'TRANS': 75} Chain breaks: 1 Unresolved non-hydrogen bonds: 15 Unresolved non-hydrogen angles: 17 Unresolved non-hydrogen dihedrals: 13 Planarities with less than four sites: {'GLU:plan': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "i" Number of atoms: 575 Number of conformers: 1 Conformer: "" Number of residues, atoms: 75, 575 Classifications: {'peptide': 75} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 5, 'TRANS': 69} Chain breaks: 1 Unresolved non-hydrogen bonds: 12 Unresolved non-hydrogen angles: 14 Unresolved non-hydrogen dihedrals: 10 Planarities with less than four sites: {'GLU:plan': 2} Unresolved non-hydrogen planarities: 8 Chain: "j" Number of atoms: 554 Number of conformers: 1 Conformer: "" Number of residues, atoms: 70, 554 Classifications: {'peptide': 70} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 2, 'TRANS': 67} Chain breaks: 1 Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 5 Unresolved non-hydrogen dihedrals: 3 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "k" Number of atoms: 529 Number of conformers: 1 Conformer: "" Number of residues, atoms: 69, 529 Classifications: {'peptide': 69} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 1, 'TRANS': 67} Chain breaks: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 5 Planarities with less than four sites: {'GLU:plan': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "l" Number of atoms: 611 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 611 Classifications: {'peptide': 81} Incomplete info: {'backbone_only': 1, 'truncation_to_alanine': 2} Link IDs: {'PCIS': 1, 'PTRANS': 3, 'TRANS': 76} Unresolved non-hydrogen bonds: 12 Unresolved non-hydrogen angles: 16 Unresolved non-hydrogen dihedrals: 8 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 11 Chain: "m" Number of atoms: 644 Number of conformers: 1 Conformer: "" Number of residues, atoms: 82, 644 Classifications: {'peptide': 82} Link IDs: {'PTRANS': 3, 'TRANS': 78} Chain breaks: 1 Chain: "n" Number of atoms: 528 Number of conformers: 1 Conformer: "" Number of residues, atoms: 65, 528 Classifications: {'peptide': 65} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 1, 'TRANS': 63} Unresolved non-hydrogen bonds: 8 Unresolved non-hydrogen angles: 10 Unresolved non-hydrogen dihedrals: 6 Planarities with less than four sites: {'GLU:plan': 2} Unresolved non-hydrogen planarities: 8 Chain: "o" Number of atoms: 841 Number of conformers: 1 Conformer: "" Number of residues, atoms: 135, 841 Classifications: {'peptide': 135} Incomplete info: {'truncation_to_alanine': 19} Link IDs: {'PTRANS': 6, 'TRANS': 128} Chain breaks: 4 Unresolved chain link angles: 5 Unresolved non-hydrogen bonds: 273 Unresolved non-hydrogen angles: 373 Unresolved non-hydrogen dihedrals: 201 Unresolved non-hydrogen chiralities: 36 Planarities with less than four sites: {'GLN:plan1': 6, 'ARG:plan': 9, 'TYR:plan': 2, 'ASN:plan1': 7, 'HIS:plan': 6, 'PHE:plan': 2, 'GLU:plan': 7, 'ASP:plan': 8} Unresolved non-hydrogen planarities: 167 Chain: "p" Number of atoms: 466 Number of conformers: 1 Conformer: "" Number of residues, atoms: 73, 466 Classifications: {'peptide': 73} Incomplete info: {'truncation_to_alanine': 8} Link IDs: {'PTRANS': 1, 'TRANS': 71} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 137 Unresolved non-hydrogen angles: 182 Unresolved non-hydrogen dihedrals: 107 Unresolved non-hydrogen chiralities: 14 Planarities with less than four sites: {'GLN:plan1': 5, 'ASN:plan1': 4, 'ASP:plan': 1, 'PHE:plan': 6, 'GLU:plan': 4, 'ARG:plan': 4} Unresolved non-hydrogen planarities: 90 Chain: "1" Number of atoms: 6472 Number of conformers: 1 Conformer: "" Number of residues, atoms: 816, 6472 Classifications: {'peptide': 816} Link IDs: {'PCIS': 1, 'PTRANS': 41, 'TRANS': 773} Chain: "2" Number of atoms: 1726 Number of conformers: 1 Conformer: "" Number of residues, atoms: 211, 1726 Classifications: {'peptide': 211} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PCIS': 1, 'PTRANS': 17, 'TRANS': 192} Chain breaks: 2 Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 5 Unresolved non-hydrogen dihedrals: 3 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "3" Number of atoms: 9380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1180, 9380 Classifications: {'peptide': 1180} Link IDs: {'PTRANS': 45, 'TRANS': 1134} Chain breaks: 7 Chain: "4" Number of atoms: 1429 Number of conformers: 1 Conformer: "" Number of residues, atoms: 173, 1429 Classifications: {'peptide': 173} Link IDs: {'PTRANS': 5, 'TRANS': 167} Chain breaks: 3 Chain: "5" Number of atoms: 814 Number of conformers: 1 Conformer: "" Number of residues, atoms: 103, 814 Classifications: {'peptide': 103} Link IDs: {'PTRANS': 4, 'TRANS': 98} Chain: "6" Number of atoms: 693 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 693 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 1, 'TRANS': 82} Chain: "X" Number of atoms: 1051 Number of conformers: 1 Conformer: "" Number of residues, atoms: 128, 1051 Classifications: {'peptide': 128} Link IDs: {'PTRANS': 3, 'TRANS': 124} Chain: "Y" Number of atoms: 730 Number of conformers: 1 Conformer: "" Number of residues, atoms: 89, 730 Classifications: {'peptide': 89} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 3, 'TRANS': 85} Chain breaks: 1 Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 2 Planarities with less than four sites: {'ASP:plan': 1} Unresolved non-hydrogen planarities: 3 Chain: "Z" Number of atoms: 173 Number of conformers: 1 Conformer: "" Number of residues, atoms: 22, 173 Classifications: {'peptide': 22} Link IDs: {'PTRANS': 2, 'TRANS': 19} Chain: "u" Number of atoms: 3895 Number of conformers: 1 Conformer: "" Number of residues, atoms: 461, 3895 Classifications: {'peptide': 461} Incomplete info: {'truncation_to_alanine': 6} Link IDs: {'PTRANS': 10, 'TRANS': 450} Chain breaks: 3 Unresolved non-hydrogen bonds: 21 Unresolved non-hydrogen angles: 25 Unresolved non-hydrogen dihedrals: 17 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 2, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 11 Chain: "w" Number of atoms: 1084 Number of conformers: 1 Conformer: "" Number of residues, atoms: 127, 1084 Classifications: {'peptide': 127} Link IDs: {'PTRANS': 2, 'TRANS': 124} Chain breaks: 1 Chain: "v" Number of atoms: 1372 Number of conformers: 1 Conformer: "" Number of residues, atoms: 174, 1372 Classifications: {'peptide': 174} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 7, 'TRANS': 166} Chain breaks: 2 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 8 Unresolved non-hydrogen dihedrals: 6 Unresolved non-hydrogen chiralities: 1 Chain: "C" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 33 Unusual residues: {' MG': 1, 'GTP': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "5" Number of atoms: 3 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 3 Unusual residues: {' ZN': 3} Classifications: {'undetermined': 3} Link IDs: {None: 2} Chain: "u" Number of atoms: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Unusual residues: {' ZN': 2} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "v" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' ZN': 1} Classifications: {'undetermined': 1} List of CYS excluded from plausible disulfide bonds: (reason: may participate in coordination) ATOM A00ZF SG CYS 5 11 163.091 83.377 252.537 1.00 71.14 S ATOM A016W SG CYS 5 46 160.178 83.556 254.732 1.00 78.90 S ATOM A017J SG CYS 5 49 163.160 85.084 255.478 1.00110.49 S ATOM A01FE SG CYS 5 86 160.956 86.966 253.489 1.00 83.55 S ATOM A011T SG CYS 5 23 169.913 99.760 257.724 1.00107.45 S ATOM A012H SG CYS 5 26 170.239 99.318 254.180 1.00 94.27 S ATOM A019E SG CYS 5 58 167.821 97.189 256.362 1.00141.92 S ATOM A01A0 SG CYS 5 61 171.503 96.802 256.747 1.00 80.28 S ATOM A0138 SG CYS 5 30 161.005 98.153 245.795 1.00 82.34 S ATOM A013T SG CYS 5 33 162.984 99.608 242.371 1.00 99.02 S ATOM A01CK SG CYS 5 73 159.877 100.385 243.387 1.00 77.23 S ATOM A01DD SG CYS 5 76 160.503 97.236 242.234 1.00108.95 S ATOM A062L SG CYS u 423 172.700 74.901 192.500 1.00138.70 S ATOM A05BV SG CYS u 282 283.783 94.565 171.214 1.00107.70 S ATOM A05CJ SG CYS u 285 287.071 91.990 169.674 1.00114.96 S ATOM A07MR SG CYS v 68 192.625 104.405 210.827 1.00108.74 S ATOM A07NE SG CYS v 71 193.237 100.156 209.756 1.00120.32 S Time building chain proxies: 47.68, per 1000 atoms: 0.43 Number of scatterers: 111041 At special positions: 0 Unit cell: (303.726, 325.134, 334.5, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 7 Type Number sf(0) Zn 6 29.99 S 397 16.00 P 636 15.00 Mg 1 11.99 O 22844 8.00 N 19421 7.00 C 67736 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=2, symmetry=0 Simple disulfide: pdb=" SG CYS 1 321 " - pdb=" SG CYS 1 358 " distance=2.03 Simple disulfide: pdb=" SG CYS 1 321 " - pdb=" SG CYS 1 362 " distance=2.04 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: 35.05 Conformation dependent library (CDL) restraints added in 16.2 seconds Dynamic metal coordination Zn2+ tetrahedral coordination pdb=" ZN 5 201 " pdb="ZN ZN 5 201 " - pdb=" SG CYS 5 49 " pdb="ZN ZN 5 201 " - pdb=" SG CYS 5 46 " pdb="ZN ZN 5 201 " - pdb=" SG CYS 5 11 " pdb="ZN ZN 5 201 " - pdb=" SG CYS 5 86 " pdb=" ZN 5 202 " pdb="ZN ZN 5 202 " - pdb=" SG CYS 5 61 " pdb="ZN ZN 5 202 " - pdb=" SG CYS 5 23 " pdb="ZN ZN 5 202 " - pdb=" SG CYS 5 26 " pdb="ZN ZN 5 202 " - pdb=" SG CYS 5 58 " pdb=" ZN 5 203 " pdb="ZN ZN 5 203 " - pdb=" SG CYS 5 73 " pdb="ZN ZN 5 203 " - pdb=" SG CYS 5 76 " pdb="ZN ZN 5 203 " - pdb=" SG CYS 5 33 " pdb="ZN ZN 5 203 " - pdb=" SG CYS 5 30 " pdb=" ZN u1001 " pdb="ZN ZN u1001 " - pdb=" NE2 HIS u 440 " pdb="ZN ZN u1001 " - pdb=" SG CYS u 423 " pdb=" ZN u1002 " pdb="ZN ZN u1002 " - pdb=" NE2 HIS u 298 " pdb="ZN ZN u1002 " - pdb=" ND1 HIS u 304 " pdb="ZN ZN u1002 " - pdb=" SG CYS u 282 " pdb="ZN ZN u1002 " - pdb=" SG CYS u 285 " pdb=" ZN v 600 " pdb="ZN ZN v 600 " - pdb=" NE2 HIS v 84 " pdb="ZN ZN v 600 " - pdb=" SG CYS v 68 " pdb="ZN ZN v 600 " - pdb=" ND1 HIS v 90 " pdb="ZN ZN v 600 " - pdb=" SG CYS v 71 " Number of angles added : 20 25170 Ramachandran restraints generated. 12585 Oldfield, 0 Emsley, 12585 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 22516 Finding SS restraints... Warning!!! ksdssp method is not applicable for structures that cannot fit in PDB format. Switching to from_ca. running find_ss_from_ca liberal... Secondary structure from input PDB file: 466 helices and 128 sheets defined 47.7% alpha, 16.7% beta 178 base pairs and 281 stacking pairs defined. Time for finding SS restraints: 81.19 Creating SS restraints... Processing helix chain 'A' and resid 135 through 150 removed outlier: 4.200A pdb=" N LEU A 139 " --> pdb=" O PRO A 135 " (cutoff:3.500A) removed outlier: 4.122A pdb=" N ASP A 148 " --> pdb=" O ASN A 144 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N MET A 149 " --> pdb=" O THR A 145 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N ALA A 150 " --> pdb=" O HIS A 146 " (cutoff:3.500A) Processing helix chain 'A' and resid 160 through 179 removed outlier: 3.868A pdb=" N LYS A 166 " --> pdb=" O LEU A 162 " (cutoff:3.500A) removed outlier: 4.268A pdb=" N TYR A 167 " --> pdb=" O GLY A 163 " (cutoff:3.500A) removed outlier: 3.959A pdb=" N LEU A 168 " --> pdb=" O ALA A 164 " (cutoff:3.500A) Proline residue: A 169 - end of helix removed outlier: 4.066A pdb=" N ASN A 178 " --> pdb=" O LYS A 174 " (cutoff:3.500A) removed outlier: 4.195A pdb=" N MET A 179 " --> pdb=" O LEU A 175 " (cutoff:3.500A) Processing helix chain 'A' and resid 209 through 232 removed outlier: 3.527A pdb=" N THR A 220 " --> pdb=" O GLN A 216 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N TRP A 221 " --> pdb=" O TRP A 217 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE A 222 " --> pdb=" O SER A 218 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N ARG A 231 " --> pdb=" O GLU A 227 " (cutoff:3.500A) removed outlier: 5.901A pdb=" N THR A 232 " --> pdb=" O LYS A 228 " (cutoff:3.500A) Processing helix chain 'A' and resid 253 through 259 removed outlier: 4.330A pdb=" N ASN A 257 " --> pdb=" O GLN A 253 " (cutoff:3.500A) removed outlier: 4.446A pdb=" N ILE A 258 " --> pdb=" O HIS A 254 " (cutoff:3.500A) removed outlier: 4.611A pdb=" N GLU A 259 " --> pdb=" O ILE A 255 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 253 through 259' Processing helix chain 'A' and resid 269 through 274 removed outlier: 3.644A pdb=" N GLU A 274 " --> pdb=" O SER A 270 " (cutoff:3.500A) Processing helix chain 'A' and resid 275 through 280 removed outlier: 4.799A pdb=" N TRP A 279 " --> pdb=" O TYR A 275 " (cutoff:3.500A) Processing helix chain 'A' and resid 304 through 320 Proline residue: A 317 - end of helix removed outlier: 4.135A pdb=" N ASP A 320 " --> pdb=" O THR A 316 " (cutoff:3.500A) Processing helix chain 'A' and resid 324 through 329 removed outlier: 4.394A pdb=" N TYR A 328 " --> pdb=" O ASP A 324 " (cutoff:3.500A) removed outlier: 4.933A pdb=" N TYR A 329 " --> pdb=" O LYS A 325 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 324 through 329' Processing helix chain 'A' and resid 332 through 343 Processing helix chain 'A' and resid 369 through 374 removed outlier: 5.622A pdb=" N ILE A 374 " --> pdb=" O ILE A 370 " (cutoff:3.500A) Processing helix chain 'A' and resid 380 through 388 removed outlier: 3.629A pdb=" N LYS A 384 " --> pdb=" O ARG A 380 " (cutoff:3.500A) Proline residue: A 388 - end of helix Processing helix chain 'A' and resid 470 through 483 removed outlier: 4.277A pdb=" N LYS A 474 " --> pdb=" O LEU A 470 " (cutoff:3.500A) removed outlier: 4.783A pdb=" N ASP A 475 " --> pdb=" O PRO A 471 " (cutoff:3.500A) removed outlier: 4.106A pdb=" N HIS A 481 " --> pdb=" O MET A 477 " (cutoff:3.500A) removed outlier: 4.811A pdb=" N SER A 482 " --> pdb=" O SER A 478 " (cutoff:3.500A) Proline residue: A 483 - end of helix Processing helix chain 'A' and resid 484 through 489 removed outlier: 3.947A pdb=" N ARG A 488 " --> pdb=" O PHE A 484 " (cutoff:3.500A) removed outlier: 5.493A pdb=" N THR A 489 " --> pdb=" O PRO A 485 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 484 through 489' Processing helix chain 'A' and resid 495 through 500 removed outlier: 5.562A pdb=" N ALA A 500 " --> pdb=" O ALA A 496 " (cutoff:3.500A) Processing helix chain 'A' and resid 502 through 508 removed outlier: 3.618A pdb=" N PHE A 506 " --> pdb=" O ALA A 502 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LEU A 507 " --> pdb=" O LYS A 503 " (cutoff:3.500A) removed outlier: 4.635A pdb=" N GLN A 508 " --> pdb=" O LYS A 504 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 502 through 508' Processing helix chain 'A' and resid 515 through 536 Proline residue: A 536 - end of helix Processing helix chain 'A' and resid 546 through 552 Processing helix chain 'A' and resid 563 through 587 Processing helix chain 'A' and resid 606 through 614 removed outlier: 3.583A pdb=" N LYS A 612 " --> pdb=" O LYS A 608 " (cutoff:3.500A) Processing helix chain 'A' and resid 616 through 642 removed outlier: 3.815A pdb=" N GLY A 642 " --> pdb=" O GLN A 638 " (cutoff:3.500A) Processing helix chain 'A' and resid 645 through 660 Processing helix chain 'A' and resid 665 through 671 removed outlier: 4.215A pdb=" N TYR A 669 " --> pdb=" O GLY A 665 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N TYR A 671 " --> pdb=" O TYR A 667 " (cutoff:3.500A) Processing helix chain 'A' and resid 672 through 695 removed outlier: 4.378A pdb=" N GLN A 676 " --> pdb=" O LYS A 672 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N TYR A 689 " --> pdb=" O HIS A 685 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N LYS A 690 " --> pdb=" O ILE A 686 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N PHE A 691 " --> pdb=" O ILE A 687 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N ASN A 694 " --> pdb=" O LYS A 690 " (cutoff:3.500A) Processing helix chain 'A' and resid 704 through 736 removed outlier: 3.519A pdb=" N THR A 718 " --> pdb=" O PHE A 714 " (cutoff:3.500A) Proline residue: A 720 - end of helix Processing helix chain 'A' and resid 751 through 771 removed outlier: 4.039A pdb=" N ASP A 755 " --> pdb=" O ASP A 751 " (cutoff:3.500A) removed outlier: 4.096A pdb=" N LEU A 756 " --> pdb=" O ALA A 752 " (cutoff:3.500A) Proline residue: A 771 - end of helix Processing helix chain 'A' and resid 776 through 796 removed outlier: 4.246A pdb=" N ARG A 780 " --> pdb=" O GLN A 776 " (cutoff:3.500A) removed outlier: 4.760A pdb=" N THR A 781 " --> pdb=" O LYS A 777 " (cutoff:3.500A) Processing helix chain 'A' and resid 805 through 837 removed outlier: 3.657A pdb=" N GLU A 832 " --> pdb=" O HIS A 828 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N ARG A 833 " --> pdb=" O TYR A 829 " (cutoff:3.500A) Processing helix chain 'A' and resid 841 through 871 removed outlier: 4.516A pdb=" N VAL A 845 " --> pdb=" O GLU A 841 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N LEU A 849 " --> pdb=" O VAL A 845 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N GLY A 850 " --> pdb=" O LYS A 846 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N LYS A 869 " --> pdb=" O ARG A 865 " (cutoff:3.500A) Processing helix chain 'A' and resid 875 through 894 removed outlier: 3.567A pdb=" N THR A 881 " --> pdb=" O GLU A 877 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N VAL A 885 " --> pdb=" O THR A 881 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N MET A 886 " --> pdb=" O ILE A 882 " (cutoff:3.500A) Processing helix chain 'A' and resid 907 through 925 removed outlier: 3.736A pdb=" N LEU A 914 " --> pdb=" O LYS A 910 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ASP A 918 " --> pdb=" O LEU A 914 " (cutoff:3.500A) removed outlier: 5.121A pdb=" N VAL A 922 " --> pdb=" O ASP A 918 " (cutoff:3.500A) removed outlier: 5.113A pdb=" N TYR A 923 " --> pdb=" O LEU A 919 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N ALA A 924 " --> pdb=" O LYS A 920 " (cutoff:3.500A) removed outlier: 4.902A pdb=" N SER A 925 " --> pdb=" O ASP A 921 " (cutoff:3.500A) Processing helix chain 'A' and resid 930 through 947 Proline residue: A 947 - end of helix Processing helix chain 'A' and resid 948 through 960 Processing helix chain 'A' and resid 985 through 1007 Processing helix chain 'A' and resid 1020 through 1035 removed outlier: 3.934A pdb=" N LEU A1035 " --> pdb=" O GLY A1031 " (cutoff:3.500A) Processing helix chain 'A' and resid 1056 through 1061 removed outlier: 4.678A pdb=" N LYS A1060 " --> pdb=" O GLU A1056 " (cutoff:3.500A) Processing helix chain 'A' and resid 1062 through 1074 removed outlier: 4.217A pdb=" N ARG A1068 " --> pdb=" O THR A1064 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N ILE A1073 " --> pdb=" O LEU A1069 " (cutoff:3.500A) Processing helix chain 'A' and resid 1075 through 1088 removed outlier: 3.917A pdb=" N ASN A1086 " --> pdb=" O ILE A1082 " (cutoff:3.500A) removed outlier: 4.200A pdb=" N ASN A1087 " --> pdb=" O THR A1083 " (cutoff:3.500A) removed outlier: 4.101A pdb=" N VAL A1088 " --> pdb=" O ALA A1084 " (cutoff:3.500A) Processing helix chain 'A' and resid 1109 through 1127 removed outlier: 3.657A pdb=" N ILE A1121 " --> pdb=" O TYR A1117 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N LEU A1123 " --> pdb=" O LEU A1119 " (cutoff:3.500A) Processing helix chain 'A' and resid 1128 through 1136 Processing helix chain 'A' and resid 1149 through 1156 removed outlier: 4.509A pdb=" N HIS A1156 " --> pdb=" O VAL A1152 " (cutoff:3.500A) Processing helix chain 'A' and resid 1175 through 1191 removed outlier: 3.948A pdb=" N GLU A1181 " --> pdb=" O ASP A1177 " (cutoff:3.500A) Proline residue: A1191 - end of helix Processing helix chain 'A' and resid 1196 through 1201 removed outlier: 4.614A pdb=" N GLY A1200 " --> pdb=" O GLU A1196 " (cutoff:3.500A) removed outlier: 4.168A pdb=" N TYR A1201 " --> pdb=" O ASN A1197 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1196 through 1201' Processing helix chain 'A' and resid 1216 through 1235 removed outlier: 3.505A pdb=" N VAL A1234 " --> pdb=" O ILE A1230 " (cutoff:3.500A) Proline residue: A1235 - end of helix Processing helix chain 'A' and resid 1242 through 1247 removed outlier: 3.526A pdb=" N ALA A1246 " --> pdb=" O LYS A1242 " (cutoff:3.500A) removed outlier: 5.386A pdb=" N PHE A1247 " --> pdb=" O TRP A1243 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1242 through 1247' Processing helix chain 'A' and resid 1271 through 1276 removed outlier: 3.513A pdb=" N MET A1275 " --> pdb=" O PRO A1271 " (cutoff:3.500A) removed outlier: 5.470A pdb=" N GLU A1276 " --> pdb=" O ARG A1272 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1271 through 1276' Processing helix chain 'A' and resid 1305 through 1324 removed outlier: 3.615A pdb=" N LYS A1310 " --> pdb=" O GLU A1306 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N SER A1323 " --> pdb=" O ILE A1319 " (cutoff:3.500A) removed outlier: 6.158A pdb=" N GLY A1324 " --> pdb=" O LEU A1320 " (cutoff:3.500A) Processing helix chain 'A' and resid 1327 through 1347 removed outlier: 3.774A pdb=" N VAL A1331 " --> pdb=" O THR A1327 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG A1347 " --> pdb=" O PHE A1343 " (cutoff:3.500A) Processing helix chain 'A' and resid 1348 through 1354 removed outlier: 4.264A pdb=" N ALA A1352 " --> pdb=" O GLU A1348 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N THR A1353 " --> pdb=" O ALA A1349 " (cutoff:3.500A) removed outlier: 4.998A pdb=" N GLU A1354 " --> pdb=" O ILE A1350 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1348 through 1354' Processing helix chain 'A' and resid 1355 through 1376 Processing helix chain 'A' and resid 1384 through 1390 removed outlier: 4.321A pdb=" N PHE A1388 " --> pdb=" O PRO A1384 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N THR A1390 " --> pdb=" O ALA A1386 " (cutoff:3.500A) Processing helix chain 'A' and resid 1408 through 1413 removed outlier: 4.030A pdb=" N LEU A1412 " --> pdb=" O PRO A1408 " (cutoff:3.500A) removed outlier: 4.152A pdb=" N SER A1413 " --> pdb=" O ALA A1409 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1408 through 1413' Processing helix chain 'A' and resid 1439 through 1445 removed outlier: 4.424A pdb=" N TYR A1443 " --> pdb=" O THR A1439 " (cutoff:3.500A) removed outlier: 6.369A pdb=" N THR A1445 " --> pdb=" O PHE A1441 " (cutoff:3.500A) Processing helix chain 'A' and resid 1446 through 1472 removed outlier: 3.921A pdb=" N ARG A1456 " --> pdb=" O LEU A1452 " (cutoff:3.500A) Processing helix chain 'A' and resid 1476 through 1482 removed outlier: 3.860A pdb=" N LEU A1480 " --> pdb=" O ALA A1476 " (cutoff:3.500A) removed outlier: 4.164A pdb=" N GLY A1482 " --> pdb=" O GLU A1478 " (cutoff:3.500A) Processing helix chain 'A' and resid 1490 through 1496 removed outlier: 4.196A pdb=" N LEU A1494 " --> pdb=" O ARG A1490 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N PHE A1495 " --> pdb=" O ILE A1491 " (cutoff:3.500A) Processing helix chain 'A' and resid 1498 through 1506 removed outlier: 5.100A pdb=" N TYR A1504 " --> pdb=" O HIS A1500 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N ASP A1505 " --> pdb=" O THR A1501 " (cutoff:3.500A) removed outlier: 5.236A pdb=" N ARG A1506 " --> pdb=" O LEU A1502 " (cutoff:3.500A) Processing helix chain 'A' and resid 1507 through 1519 removed outlier: 3.669A pdb=" N GLU A1513 " --> pdb=" O ARG A1509 " (cutoff:3.500A) removed outlier: 4.237A pdb=" N GLN A1516 " --> pdb=" O ARG A1512 " (cutoff:3.500A) removed outlier: 5.539A pdb=" N TYR A1517 " --> pdb=" O GLU A1513 " (cutoff:3.500A) removed outlier: 4.044A pdb=" N SER A1518 " --> pdb=" O PHE A1514 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N LEU A1519 " --> pdb=" O LYS A1515 " (cutoff:3.500A) Processing helix chain 'A' and resid 1539 through 1551 removed outlier: 3.528A pdb=" N ARG A1543 " --> pdb=" O LEU A1539 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N THR A1544 " --> pdb=" O ASN A1540 " (cutoff:3.500A) Processing helix chain 'A' and resid 1552 through 1561 removed outlier: 4.092A pdb=" N HIS A1559 " --> pdb=" O THR A1555 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N THR A1560 " --> pdb=" O ILE A1556 " (cutoff:3.500A) removed outlier: 5.007A pdb=" N LEU A1561 " --> pdb=" O LEU A1557 " (cutoff:3.500A) Processing helix chain 'A' and resid 1577 through 1588 removed outlier: 3.763A pdb=" N MET A1585 " --> pdb=" O PHE A1581 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N GLN A1586 " --> pdb=" O GLU A1582 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N PHE A1587 " --> pdb=" O ASP A1583 " (cutoff:3.500A) removed outlier: 4.666A pdb=" N LYS A1588 " --> pdb=" O SER A1584 " (cutoff:3.500A) Processing helix chain 'A' and resid 1591 through 1611 removed outlier: 3.723A pdb=" N LEU A1598 " --> pdb=" O GLN A1594 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N SER A1599 " --> pdb=" O ARG A1595 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N GLN A1600 " --> pdb=" O THR A1596 " (cutoff:3.500A) removed outlier: 4.751A pdb=" N ILE A1601 " --> pdb=" O GLY A1597 " (cutoff:3.500A) Proline residue: A1602 - end of helix Processing helix chain 'A' and resid 1616 through 1621 removed outlier: 3.661A pdb=" N TYR A1620 " --> pdb=" O ARG A1616 " (cutoff:3.500A) Processing helix chain 'A' and resid 1638 through 1650 removed outlier: 3.506A pdb=" N ILE A1643 " --> pdb=" O PRO A1639 " (cutoff:3.500A) removed outlier: 4.369A pdb=" N ARG A1650 " --> pdb=" O ILE A1646 " (cutoff:3.500A) Processing helix chain 'A' and resid 1652 through 1677 removed outlier: 4.192A pdb=" N GLY A1671 " --> pdb=" O GLN A1667 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N GLU A1672 " --> pdb=" O ILE A1668 " (cutoff:3.500A) removed outlier: 5.776A pdb=" N ASP A1674 " --> pdb=" O ASP A1670 " (cutoff:3.500A) removed outlier: 5.610A pdb=" N VAL A1675 " --> pdb=" O GLY A1671 " (cutoff:3.500A) Processing helix chain 'A' and resid 1747 through 1762 removed outlier: 3.900A pdb=" N TYR A1751 " --> pdb=" O ASP A1747 " (cutoff:3.500A) Processing helix chain 'A' and resid 1793 through 1808 removed outlier: 4.729A pdb=" N LEU A1797 " --> pdb=" O GLY A1793 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ASN A1800 " --> pdb=" O PRO A1796 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N THR A1804 " --> pdb=" O ASN A1800 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N LYS A1807 " --> pdb=" O ARG A1803 " (cutoff:3.500A) Processing helix chain 'A' and resid 1809 through 1824 removed outlier: 3.600A pdb=" N GLY A1822 " --> pdb=" O ARG A1818 " (cutoff:3.500A) Processing helix chain 'A' and resid 1836 through 1845 removed outlier: 4.963A pdb=" N ALA A1841 " --> pdb=" O SER A1837 " (cutoff:3.500A) removed outlier: 5.642A pdb=" N GLU A1842 " --> pdb=" O SER A1838 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N LEU A1843 " --> pdb=" O ASN A1839 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N PHE A1844 " --> pdb=" O TYR A1840 " (cutoff:3.500A) removed outlier: 4.771A pdb=" N ASN A1845 " --> pdb=" O ALA A1841 " (cutoff:3.500A) Processing helix chain 'A' and resid 1895 through 1901 removed outlier: 4.306A pdb=" N TRP A1899 " --> pdb=" O HIS A1895 " (cutoff:3.500A) removed outlier: 3.827A pdb=" N ALA A1900 " --> pdb=" O THR A1896 " (cutoff:3.500A) removed outlier: 5.057A pdb=" N GLY A1901 " --> pdb=" O SER A1897 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1895 through 1901' Processing helix chain 'A' and resid 1904 through 1925 removed outlier: 3.920A pdb=" N LEU A1908 " --> pdb=" O ARG A1904 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N ALA A1909 " --> pdb=" O LEU A1905 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N LYS A1910 " --> pdb=" O SER A1906 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N LEU A1924 " --> pdb=" O LEU A1920 " (cutoff:3.500A) Proline residue: A1925 - end of helix Processing helix chain 'A' and resid 1937 through 1949 removed outlier: 4.535A pdb=" N LEU A1941 " --> pdb=" O ARG A1937 " (cutoff:3.500A) removed outlier: 4.684A pdb=" N ASP A1942 " --> pdb=" O LYS A1938 " (cutoff:3.500A) Proline residue: A1943 - end of helix removed outlier: 3.833A pdb=" N HIS A1947 " --> pdb=" O PRO A1943 " (cutoff:3.500A) Processing helix chain 'A' and resid 1964 through 1969 removed outlier: 4.365A pdb=" N ALA A1968 " --> pdb=" O PRO A1964 " (cutoff:3.500A) removed outlier: 4.875A pdb=" N MET A1969 " --> pdb=" O PHE A1965 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1964 through 1969' Processing helix chain 'A' and resid 1971 through 1981 Processing helix chain 'A' and resid 1994 through 1999 removed outlier: 5.455A pdb=" N ARG A1998 " --> pdb=" O ASP A1994 " (cutoff:3.500A) Processing helix chain 'A' and resid 2000 through 2018 removed outlier: 3.539A pdb=" N LEU A2010 " --> pdb=" O SER A2006 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N THR A2017 " --> pdb=" O ARG A2013 " (cutoff:3.500A) Processing helix chain 'A' and resid 2019 through 2028 removed outlier: 4.116A pdb=" N ILE A2025 " --> pdb=" O SER A2021 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N LEU A2026 " --> pdb=" O ALA A2022 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N SER A2028 " --> pdb=" O MET A2024 " (cutoff:3.500A) Processing helix chain 'A' and resid 2044 through 2068 removed outlier: 3.557A pdb=" N TRP A2048 " --> pdb=" O THR A2044 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N SER A2053 " --> pdb=" O ILE A2049 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N GLY A2064 " --> pdb=" O LEU A2060 " (cutoff:3.500A) Processing helix chain 'A' and resid 2075 through 2085 Processing helix chain 'A' and resid 2151 through 2169 removed outlier: 4.488A pdb=" N SER A2155 " --> pdb=" O GLU A2151 " (cutoff:3.500A) removed outlier: 4.203A pdb=" N THR A2160 " --> pdb=" O ALA A2156 " (cutoff:3.500A) removed outlier: 4.920A pdb=" N LEU A2161 " --> pdb=" O ILE A2157 " (cutoff:3.500A) removed outlier: 4.333A pdb=" N LEU A2162 " --> pdb=" O ALA A2158 " (cutoff:3.500A) removed outlier: 4.943A pdb=" N TYR A2163 " --> pdb=" O ASN A2159 " (cutoff:3.500A) removed outlier: 5.394A pdb=" N LEU A2164 " --> pdb=" O THR A2160 " (cutoff:3.500A) removed outlier: 4.041A pdb=" N ARG A2165 " --> pdb=" O LEU A2161 " (cutoff:3.500A) removed outlier: 4.499A pdb=" N LEU A2166 " --> pdb=" O LEU A2162 " (cutoff:3.500A) removed outlier: 4.488A pdb=" N LYS A2167 " --> pdb=" O TYR A2163 " (cutoff:3.500A) removed outlier: 4.882A pdb=" N ASN A2168 " --> pdb=" O LEU A2164 " (cutoff:3.500A) removed outlier: 5.380A pdb=" N ILE A2169 " --> pdb=" O ARG A2165 " (cutoff:3.500A) Processing helix chain 'A' and resid 2186 through 2197 removed outlier: 3.716A pdb=" N LEU A2190 " --> pdb=" O PRO A2186 " (cutoff:3.500A) Processing helix chain 'A' and resid 2270 through 2282 removed outlier: 3.619A pdb=" N THR A2276 " --> pdb=" O SER A2272 " (cutoff:3.500A) Processing helix chain 'A' and resid 2308 through 2318 removed outlier: 3.973A pdb=" N TYR A2312 " --> pdb=" O THR A2308 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N GLN A2313 " --> pdb=" O ASP A2309 " (cutoff:3.500A) Processing helix chain 'A' and resid 2322 through 2330 removed outlier: 3.632A pdb=" N SER A2326 " --> pdb=" O MET A2322 " (cutoff:3.500A) Processing helix chain 'A' and resid 2384 through 2389 Proline residue: A2389 - end of helix Processing helix chain 'A' and resid 2390 through 2400 removed outlier: 4.021A pdb=" N ALA A2399 " --> pdb=" O PHE A2395 " (cutoff:3.500A) Processing helix chain 'A' and resid 461 through 466 removed outlier: 4.239A pdb=" N GLU A 464 " --> pdb=" O LEU A 461 " (cutoff:3.500A) removed outlier: 4.082A pdb=" N GLU A 465 " --> pdb=" O LEU A 462 " (cutoff:3.500A) removed outlier: 4.480A pdb=" N GLU A 466 " --> pdb=" O ALA A 463 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 461 through 466' Processing helix chain 'A' and resid 1426 through 1431 removed outlier: 4.624A pdb=" N MET A1429 " --> pdb=" O ARG A1426 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N HIS A1431 " --> pdb=" O GLY A1428 " (cutoff:3.500A) Processing helix chain 'A' and resid 1687 through 1692 removed outlier: 4.763A pdb=" N SER A1691 " --> pdb=" O PRO A1688 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N TYR A1692 " --> pdb=" O ARG A1689 " (cutoff:3.500A) Processing helix chain 'A' and resid 1529 through 1534 removed outlier: 3.628A pdb=" N GLY A1534 " --> pdb=" O ASN A1529 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1529 through 1534' Processing helix chain 'K' and resid 22 through 32 removed outlier: 3.535A pdb=" N ALA K 26 " --> pdb=" O ASN K 22 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N ILE K 28 " --> pdb=" O SER K 24 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N LEU K 29 " --> pdb=" O THR K 25 " (cutoff:3.500A) Processing helix chain 'K' and resid 33 through 44 removed outlier: 3.754A pdb=" N VAL K 40 " --> pdb=" O ARG K 36 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N GLU K 42 " --> pdb=" O GLN K 38 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N LYS K 43 " --> pdb=" O ALA K 39 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N ILE K 44 " --> pdb=" O VAL K 40 " (cutoff:3.500A) Processing helix chain 'K' and resid 47 through 59 Processing helix chain 'K' and resid 68 through 84 removed outlier: 3.548A pdb=" N ASP K 83 " --> pdb=" O ILE K 79 " (cutoff:3.500A) Processing helix chain 'K' and resid 87 through 92 Processing helix chain 'K' and resid 114 through 146 removed outlier: 3.558A pdb=" N ALA K 120 " --> pdb=" O GLU K 116 " (cutoff:3.500A) removed outlier: 4.043A pdb=" N LYS K 145 " --> pdb=" O GLU K 141 " (cutoff:3.500A) removed outlier: 4.271A pdb=" N PHE K 146 " --> pdb=" O ARG K 142 " (cutoff:3.500A) Processing helix chain 'K' and resid 147 through 165 removed outlier: 3.795A pdb=" N GLU K 151 " --> pdb=" O ASN K 147 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N LEU K 165 " --> pdb=" O ARG K 161 " (cutoff:3.500A) Processing helix chain 'L' and resid 39 through 59 Proline residue: L 43 - end of helix Proline residue: L 48 - end of helix removed outlier: 3.733A pdb=" N ALA L 58 " --> pdb=" O PHE L 54 " (cutoff:3.500A) removed outlier: 4.198A pdb=" N LEU L 59 " --> pdb=" O ARG L 55 " (cutoff:3.500A) Processing helix chain 'L' and resid 66 through 88 removed outlier: 4.149A pdb=" N LEU L 74 " --> pdb=" O THR L 70 " (cutoff:3.500A) Proline residue: L 75 - end of helix Processing helix chain 'L' and resid 98 through 124 Proline residue: L 103 - end of helix removed outlier: 5.317A pdb=" N ARG L 122 " --> pdb=" O SER L 118 " (cutoff:3.500A) removed outlier: 4.605A pdb=" N ARG L 123 " --> pdb=" O LEU L 119 " (cutoff:3.500A) Processing helix chain 'L' and resid 126 through 132 Proline residue: L 132 - end of helix Processing helix chain 'L' and resid 133 through 146 Processing helix chain 'L' and resid 155 through 164 removed outlier: 3.580A pdb=" N PHE L 159 " --> pdb=" O ASP L 155 " (cutoff:3.500A) Processing helix chain 'L' and resid 168 through 182 removed outlier: 3.705A pdb=" N VAL L 174 " --> pdb=" O GLU L 170 " (cutoff:3.500A) Processing helix chain 'L' and resid 190 through 226 removed outlier: 3.543A pdb=" N SER L 220 " --> pdb=" O GLN L 216 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N LYS L 221 " --> pdb=" O TYR L 217 " (cutoff:3.500A) removed outlier: 5.337A pdb=" N SER L 223 " --> pdb=" O ALA L 219 " (cutoff:3.500A) removed outlier: 6.130A pdb=" N ILE L 224 " --> pdb=" O SER L 220 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N ILE L 225 " --> pdb=" O LYS L 221 " (cutoff:3.500A) Processing helix chain 'L' and resid 227 through 233 Processing helix chain 'L' and resid 234 through 246 removed outlier: 3.833A pdb=" N GLN L 240 " --> pdb=" O GLU L 236 " (cutoff:3.500A) Processing helix chain 'L' and resid 247 through 255 removed outlier: 3.520A pdb=" N PHE L 251 " --> pdb=" O GLY L 247 " (cutoff:3.500A) removed outlier: 3.862A pdb=" N ILE L 254 " --> pdb=" O GLU L 250 " (cutoff:3.500A) Proline residue: L 255 - end of helix Processing helix chain 'L' and resid 283 through 289 removed outlier: 3.972A pdb=" N ALA L 287 " --> pdb=" O GLY L 283 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N SER L 288 " --> pdb=" O TYR L 284 " (cutoff:3.500A) removed outlier: 5.443A pdb=" N ASP L 289 " --> pdb=" O LEU L 285 " (cutoff:3.500A) No H-bonds generated for 'chain 'L' and resid 283 through 289' Processing helix chain 'L' and resid 295 through 320 removed outlier: 4.018A pdb=" N HIS L 299 " --> pdb=" O PRO L 295 " (cutoff:3.500A) removed outlier: 4.848A pdb=" N LYS L 300 " --> pdb=" O VAL L 296 " (cutoff:3.500A) removed outlier: 5.350A pdb=" N GLN L 301 " --> pdb=" O SER L 297 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N ARG L 304 " --> pdb=" O LYS L 300 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ALA L 308 " --> pdb=" O ARG L 304 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N LYS L 309 " --> pdb=" O MET L 305 " (cutoff:3.500A) removed outlier: 3.933A pdb=" N GLY L 319 " --> pdb=" O ARG L 315 " (cutoff:3.500A) Processing helix chain 'L' and resid 327 through 347 removed outlier: 6.592A pdb=" N HIS L 331 " --> pdb=" O THR L 327 " (cutoff:3.500A) removed outlier: 3.969A pdb=" N LYS L 332 " --> pdb=" O VAL L 328 " (cutoff:3.500A) removed outlier: 4.522A pdb=" N ALA L 347 " --> pdb=" O LYS L 343 " (cutoff:3.500A) Processing helix chain 'L' and resid 369 through 380 removed outlier: 4.649A pdb=" N LYS L 378 " --> pdb=" O LYS L 374 " (cutoff:3.500A) removed outlier: 4.518A pdb=" N PHE L 379 " --> pdb=" O TYR L 375 " (cutoff:3.500A) Processing helix chain 'L' and resid 382 through 391 removed outlier: 4.118A pdb=" N ASN L 389 " --> pdb=" O ARG L 385 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N ARG L 390 " --> pdb=" O GLN L 386 " (cutoff:3.500A) removed outlier: 5.869A pdb=" N MET L 391 " --> pdb=" O LEU L 387 " (cutoff:3.500A) Processing helix chain 'L' and resid 415 through 422 removed outlier: 4.210A pdb=" N ALA L 420 " --> pdb=" O SER L 416 " (cutoff:3.500A) Processing helix chain 'L' and resid 438 through 462 removed outlier: 3.764A pdb=" N HIS L 443 " --> pdb=" O LYS L 439 " (cutoff:3.500A) Processing helix chain 'N' and resid 4 through 10 removed outlier: 3.859A pdb=" N ASP N 8 " --> pdb=" O PRO N 4 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N GLN N 9 " --> pdb=" O SER N 5 " (cutoff:3.500A) removed outlier: 4.368A pdb=" N GLU N 10 " --> pdb=" O PHE N 6 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 4 through 10' Processing helix chain 'N' and resid 16 through 22 removed outlier: 3.778A pdb=" N ARG N 21 " --> pdb=" O PRO N 17 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N GLY N 22 " --> pdb=" O GLY N 18 " (cutoff:3.500A) Processing helix chain 'N' and resid 72 through 89 removed outlier: 3.729A pdb=" N GLU N 88 " --> pdb=" O LYS N 84 " (cutoff:3.500A) Processing helix chain 'N' and resid 98 through 112 removed outlier: 4.766A pdb=" N ASP N 106 " --> pdb=" O ARG N 102 " (cutoff:3.500A) removed outlier: 4.997A pdb=" N LEU N 107 " --> pdb=" O GLN N 103 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N SER N 110 " --> pdb=" O ASP N 106 " (cutoff:3.500A) removed outlier: 4.382A pdb=" N ALA N 112 " --> pdb=" O LYS N 108 " (cutoff:3.500A) Processing helix chain 'N' and resid 115 through 122 removed outlier: 4.117A pdb=" N ILE N 122 " --> pdb=" O GLU N 118 " (cutoff:3.500A) Processing helix chain 'N' and resid 130 through 143 removed outlier: 3.552A pdb=" N ASN N 142 " --> pdb=" O GLN N 138 " (cutoff:3.500A) Processing helix chain 'N' and resid 158 through 178 removed outlier: 3.769A pdb=" N LEU N 162 " --> pdb=" O ASP N 158 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N LYS N 168 " --> pdb=" O GLU N 164 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N LEU N 169 " --> pdb=" O GLU N 165 " (cutoff:3.500A) Processing helix chain 'N' and resid 219 through 238 removed outlier: 3.581A pdb=" N ASP N 237 " --> pdb=" O TYR N 233 " (cutoff:3.500A) Proline residue: N 238 - end of helix Processing helix chain 'N' and resid 240 through 255 removed outlier: 4.463A pdb=" N TRP N 244 " --> pdb=" O ASN N 240 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N GLU N 251 " --> pdb=" O SER N 247 " (cutoff:3.500A) Processing helix chain 'N' and resid 257 through 269 removed outlier: 3.784A pdb=" N LYS N 261 " --> pdb=" O PHE N 257 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N GLU N 265 " --> pdb=" O LYS N 261 " (cutoff:3.500A) removed outlier: 4.224A pdb=" N GLN N 269 " --> pdb=" O GLU N 265 " (cutoff:3.500A) Processing helix chain 'N' and resid 274 through 285 removed outlier: 4.582A pdb=" N TRP N 278 " --> pdb=" O SER N 274 " (cutoff:3.500A) Processing helix chain 'N' and resid 288 through 303 Processing helix chain 'N' and resid 308 through 323 removed outlier: 4.279A pdb=" N LYS N 312 " --> pdb=" O LEU N 308 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N VAL N 321 " --> pdb=" O GLU N 317 " (cutoff:3.500A) Processing helix chain 'N' and resid 324 through 336 removed outlier: 4.050A pdb=" N ARG N 328 " --> pdb=" O TYR N 324 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N ILE N 334 " --> pdb=" O ALA N 330 " (cutoff:3.500A) Proline residue: N 335 - end of helix Processing helix chain 'N' and resid 341 through 356 removed outlier: 4.145A pdb=" N LYS N 356 " --> pdb=" O ALA N 352 " (cutoff:3.500A) Processing helix chain 'N' and resid 357 through 372 Proline residue: N 366 - end of helix Processing helix chain 'N' and resid 374 through 387 removed outlier: 3.647A pdb=" N LEU N 378 " --> pdb=" O ALA N 374 " (cutoff:3.500A) Processing helix chain 'N' and resid 390 through 405 removed outlier: 3.535A pdb=" N LEU N 395 " --> pdb=" O PHE N 391 " (cutoff:3.500A) Proline residue: N 396 - end of helix Proline residue: N 399 - end of helix Processing helix chain 'N' and resid 411 through 423 Proline residue: N 417 - end of helix Processing helix chain 'N' and resid 427 through 443 removed outlier: 4.518A pdb=" N GLU N 431 " --> pdb=" O GLU N 427 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N LEU N 432 " --> pdb=" O GLY N 428 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N ASN N 435 " --> pdb=" O GLU N 431 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N GLY N 436 " --> pdb=" O LEU N 432 " (cutoff:3.500A) removed outlier: 5.357A pdb=" N THR N 440 " --> pdb=" O GLY N 436 " (cutoff:3.500A) removed outlier: 6.023A pdb=" N LEU N 441 " --> pdb=" O TYR N 437 " (cutoff:3.500A) removed outlier: 4.592A pdb=" N SER N 442 " --> pdb=" O LYS N 438 " (cutoff:3.500A) removed outlier: 5.002A pdb=" N ALA N 443 " --> pdb=" O ALA N 439 " (cutoff:3.500A) Processing helix chain 'N' and resid 446 through 457 removed outlier: 3.519A pdb=" N ALA N 450 " --> pdb=" O LYS N 446 " (cutoff:3.500A) Proline residue: N 455 - end of helix Processing helix chain 'N' and resid 460 through 474 removed outlier: 4.791A pdb=" N ILE N 464 " --> pdb=" O THR N 460 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N VAL N 465 " --> pdb=" O CYS N 461 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N TYR N 466 " --> pdb=" O GLN N 462 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA N 467 " --> pdb=" O ALA N 463 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N ARG N 473 " --> pdb=" O LEU N 469 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N GLU N 474 " --> pdb=" O GLU N 470 " (cutoff:3.500A) Processing helix chain 'N' and resid 480 through 496 Proline residue: N 493 - end of helix Processing helix chain 'N' and resid 503 through 517 removed outlier: 3.520A pdb=" N ASP N 509 " --> pdb=" O LEU N 505 " (cutoff:3.500A) Proline residue: N 510 - end of helix removed outlier: 3.617A pdb=" N TRP N 516 " --> pdb=" O ASP N 512 " (cutoff:3.500A) Processing helix chain 'N' and resid 521 through 538 removed outlier: 4.217A pdb=" N GLN N 537 " --> pdb=" O LEU N 533 " (cutoff:3.500A) Processing helix chain 'N' and resid 542 through 554 removed outlier: 4.401A pdb=" N SER N 546 " --> pdb=" O GLN N 542 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N ALA N 551 " --> pdb=" O ASP N 547 " (cutoff:3.500A) removed outlier: 4.729A pdb=" N ASN N 552 " --> pdb=" O ASP N 548 " (cutoff:3.500A) removed outlier: 4.705A pdb=" N MET N 553 " --> pdb=" O ILE N 549 " (cutoff:3.500A) Processing helix chain 'N' and resid 556 through 570 removed outlier: 4.267A pdb=" N TYR N 568 " --> pdb=" O TYR N 564 " (cutoff:3.500A) removed outlier: 4.606A pdb=" N TRP N 569 " --> pdb=" O VAL N 565 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N LYS N 570 " --> pdb=" O SER N 566 " (cutoff:3.500A) Processing helix chain 'N' and resid 575 through 588 removed outlier: 4.536A pdb=" N THR N 579 " --> pdb=" O ASP N 575 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N LEU N 580 " --> pdb=" O THR N 576 " (cutoff:3.500A) removed outlier: 4.069A pdb=" N ILE N 586 " --> pdb=" O LEU N 582 " (cutoff:3.500A) removed outlier: 4.329A pdb=" N ILE N 587 " --> pdb=" O ILE N 583 " (cutoff:3.500A) removed outlier: 3.894A pdb=" N ASP N 588 " --> pdb=" O ASP N 584 " (cutoff:3.500A) Processing helix chain 'N' and resid 594 through 607 removed outlier: 3.837A pdb=" N SER N 607 " --> pdb=" O LEU N 603 " (cutoff:3.500A) Processing helix chain 'N' and resid 614 through 625 removed outlier: 3.646A pdb=" N GLN N 618 " --> pdb=" O ARG N 614 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N LEU N 624 " --> pdb=" O THR N 620 " (cutoff:3.500A) Processing helix chain 'N' and resid 630 through 642 removed outlier: 5.077A pdb=" N PHE N 642 " --> pdb=" O LYS N 638 " (cutoff:3.500A) Processing helix chain 'N' and resid 650 through 663 removed outlier: 3.848A pdb=" N LYS N 654 " --> pdb=" O GLU N 650 " (cutoff:3.500A) removed outlier: 4.021A pdb=" N LYS N 662 " --> pdb=" O GLU N 658 " (cutoff:3.500A) removed outlier: 4.050A pdb=" N SER N 663 " --> pdb=" O ARG N 659 " (cutoff:3.500A) Processing helix chain 'N' and resid 666 through 682 removed outlier: 3.523A pdb=" N PHE N 670 " --> pdb=" O ILE N 666 " (cutoff:3.500A) Processing helix chain 'N' and resid 685 through 699 removed outlier: 3.554A pdb=" N ARG N 696 " --> pdb=" O LEU N 692 " (cutoff:3.500A) Proline residue: N 699 - end of helix Processing helix chain 'N' and resid 701 through 715 removed outlier: 4.483A pdb=" N TRP N 705 " --> pdb=" O CYS N 701 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N ILE N 714 " --> pdb=" O LYS N 710 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N ASP N 715 " --> pdb=" O ILE N 711 " (cutoff:3.500A) Processing helix chain 'N' and resid 720 through 734 removed outlier: 4.328A pdb=" N SER N 724 " --> pdb=" O VAL N 720 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N LYS N 732 " --> pdb=" O ARG N 728 " (cutoff:3.500A) removed outlier: 4.509A pdb=" N ASN N 733 " --> pdb=" O GLY N 729 " (cutoff:3.500A) Proline residue: N 734 - end of helix Processing helix chain 'N' and resid 737 through 751 removed outlier: 4.121A pdb=" N ILE N 741 " --> pdb=" O VAL N 737 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N LYS N 743 " --> pdb=" O PHE N 739 " (cutoff:3.500A) removed outlier: 3.973A pdb=" N LEU N 750 " --> pdb=" O MET N 746 " (cutoff:3.500A) Processing helix chain 'N' and resid 752 through 768 removed outlier: 3.791A pdb=" N ALA N 756 " --> pdb=" O ASN N 752 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N LEU N 758 " --> pdb=" O ASP N 754 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N LYS N 766 " --> pdb=" O GLN N 762 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N PHE N 767 " --> pdb=" O ALA N 763 " (cutoff:3.500A) Proline residue: N 768 - end of helix Processing helix chain 'N' and resid 770 through 784 removed outlier: 3.769A pdb=" N TRP N 774 " --> pdb=" O ASN N 770 " (cutoff:3.500A) removed outlier: 3.944A pdb=" N PHE N 781 " --> pdb=" O GLN N 777 " (cutoff:3.500A) removed outlier: 4.176A pdb=" N LYS N 782 " --> pdb=" O ILE N 778 " (cutoff:3.500A) removed outlier: 5.127A pdb=" N HIS N 783 " --> pdb=" O LYS N 779 " (cutoff:3.500A) Processing helix chain 'N' and resid 786 through 802 removed outlier: 4.634A pdb=" N LYS N 790 " --> pdb=" O LYS N 786 " (cutoff:3.500A) removed outlier: 5.255A pdb=" N LYS N 791 " --> pdb=" O SER N 787 " (cutoff:3.500A) removed outlier: 4.891A pdb=" N THR N 792 " --> pdb=" O SER N 788 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N THR N 801 " --> pdb=" O ALA N 797 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N GLN N 802 " --> pdb=" O LEU N 798 " (cutoff:3.500A) Processing helix chain 'N' and resid 804 through 819 removed outlier: 3.817A pdb=" N GLU N 818 " --> pdb=" O SER N 814 " (cutoff:3.500A) Processing helix chain 'N' and resid 820 through 835 removed outlier: 4.033A pdb=" N LYS N 826 " --> pdb=" O GLU N 822 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N TRP N 827 " --> pdb=" O THR N 823 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N LYS N 833 " --> pdb=" O GLU N 829 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N LYS N 834 " --> pdb=" O ARG N 830 " (cutoff:3.500A) removed outlier: 3.832A pdb=" N CYS N 835 " --> pdb=" O ALA N 831 " (cutoff:3.500A) Processing helix chain 'N' and resid 838 through 853 removed outlier: 4.650A pdb=" N TRP N 842 " --> pdb=" O TYR N 838 " (cutoff:3.500A) removed outlier: 3.982A pdb=" N VAL N 843 " --> pdb=" O GLY N 839 " (cutoff:3.500A) removed outlier: 4.299A pdb=" N TRP N 844 " --> pdb=" O ASP N 840 " (cutoff:3.500A) Processing helix chain 'N' and resid 855 through 867 removed outlier: 3.940A pdb=" N LEU N 859 " --> pdb=" O ASP N 855 " (cutoff:3.500A) removed outlier: 3.868A pdb=" N TYR N 860 " --> pdb=" O THR N 856 " (cutoff:3.500A) removed outlier: 5.000A pdb=" N ASN N 861 " --> pdb=" O VAL N 857 " (cutoff:3.500A) removed outlier: 5.022A pdb=" N MET N 862 " --> pdb=" O ASP N 858 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N PHE N 863 " --> pdb=" O LEU N 859 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU N 867 " --> pdb=" O PHE N 863 " (cutoff:3.500A) Processing helix chain 'N' and resid 887 through 899 removed outlier: 3.730A pdb=" N ASN N 897 " --> pdb=" O LEU N 893 " (cutoff:3.500A) removed outlier: 4.111A pdb=" N ASP N 898 " --> pdb=" O ARG N 894 " (cutoff:3.500A) removed outlier: 4.708A pdb=" N LYS N 899 " --> pdb=" O LEU N 895 " (cutoff:3.500A) Processing helix chain 'J' and resid 108 through 137 Processing helix chain 'J' and resid 145 through 150 removed outlier: 4.616A pdb=" N PHE J 149 " --> pdb=" O HIS J 145 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LEU J 150 " --> pdb=" O GLU J 146 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 145 through 150' Processing helix chain 'J' and resid 152 through 164 removed outlier: 3.860A pdb=" N PHE J 156 " --> pdb=" O ASP J 152 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N HIS J 164 " --> pdb=" O TYR J 160 " (cutoff:3.500A) Processing helix chain 'J' and resid 167 through 172 removed outlier: 5.052A pdb=" N THR J 171 " --> pdb=" O GLU J 167 " (cutoff:3.500A) removed outlier: 5.472A pdb=" N ALA J 172 " --> pdb=" O TRP J 168 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 167 through 172' Processing helix chain 'J' and resid 237 through 263 removed outlier: 3.620A pdb=" N MET J 251 " --> pdb=" O ASN J 247 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N ALA J 252 " --> pdb=" O ARG J 248 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N GLY J 263 " --> pdb=" O LYS J 259 " (cutoff:3.500A) Processing helix chain 'J' and resid 289 through 330 removed outlier: 4.361A pdb=" N GLU J 325 " --> pdb=" O LYS J 321 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ALA J 326 " --> pdb=" O ARG J 322 " (cutoff:3.500A) removed outlier: 5.973A pdb=" N ASN J 330 " --> pdb=" O ALA J 326 " (cutoff:3.500A) Processing helix chain 'J' and resid 349 through 364 removed outlier: 3.541A pdb=" N LYS J 357 " --> pdb=" O ARG J 353 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N SER J 364 " --> pdb=" O SER J 360 " (cutoff:3.500A) Processing helix chain 'J' and resid 385 through 398 Processing helix chain 'J' and resid 447 through 459 removed outlier: 4.382A pdb=" N LEU J 451 " --> pdb=" O ASP J 447 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N PHE J 458 " --> pdb=" O THR J 454 " (cutoff:3.500A) Processing helix chain 'J' and resid 460 through 465 removed outlier: 3.756A pdb=" N TYR J 464 " --> pdb=" O GLU J 461 " (cutoff:3.500A) removed outlier: 5.103A pdb=" N SER J 465 " --> pdb=" O HIS J 462 " (cutoff:3.500A) Processing helix chain 'E' and resid 11 through 23 removed outlier: 4.183A pdb=" N GLU E 22 " --> pdb=" O ALA E 18 " (cutoff:3.500A) removed outlier: 5.549A pdb=" N THR E 23 " --> pdb=" O ILE E 19 " (cutoff:3.500A) Processing helix chain 'E' and resid 36 through 54 removed outlier: 3.775A pdb=" N MET E 40 " --> pdb=" O ASP E 36 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ILE E 41 " --> pdb=" O ARG E 37 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N MET E 42 " --> pdb=" O GLN E 38 " (cutoff:3.500A) removed outlier: 5.134A pdb=" N GLU E 51 " --> pdb=" O SER E 47 " (cutoff:3.500A) removed outlier: 4.879A pdb=" N ARG E 52 " --> pdb=" O SER E 48 " (cutoff:3.500A) Processing helix chain 'E' and resid 63 through 68 Processing helix chain 'E' and resid 70 through 75 Processing helix chain 'E' and resid 109 through 127 removed outlier: 3.977A pdb=" N LYS E 126 " --> pdb=" O ARG E 122 " (cutoff:3.500A) removed outlier: 4.061A pdb=" N ASN E 127 " --> pdb=" O GLY E 123 " (cutoff:3.500A) Processing helix chain 'M' and resid 14 through 31 removed outlier: 3.688A pdb=" N GLN M 19 " --> pdb=" O ALA M 15 " (cutoff:3.500A) removed outlier: 3.981A pdb=" N LEU M 30 " --> pdb=" O GLN M 26 " (cutoff:3.500A) Processing helix chain 'M' and resid 36 through 47 removed outlier: 3.840A pdb=" N THR M 43 " --> pdb=" O GLU M 39 " (cutoff:3.500A) Processing helix chain 'M' and resid 61 through 75 removed outlier: 3.546A pdb=" N LEU M 65 " --> pdb=" O ILE M 61 " (cutoff:3.500A) removed outlier: 4.998A pdb=" N HIS M 66 " --> pdb=" O GLU M 62 " (cutoff:3.500A) removed outlier: 6.028A pdb=" N LEU M 67 " --> pdb=" O ILE M 63 " (cutoff:3.500A) Proline residue: M 68 - end of helix Processing helix chain 'M' and resid 83 through 92 removed outlier: 3.514A pdb=" N LEU M 87 " --> pdb=" O SER M 83 " (cutoff:3.500A) Processing helix chain 'M' and resid 110 through 126 removed outlier: 3.664A pdb=" N THR M 123 " --> pdb=" O ASP M 119 " (cutoff:3.500A) removed outlier: 4.062A pdb=" N LEU M 124 " --> pdb=" O LYS M 120 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N LEU M 125 " --> pdb=" O ILE M 121 " (cutoff:3.500A) removed outlier: 4.443A pdb=" N ILE M 126 " --> pdb=" O GLU M 122 " (cutoff:3.500A) Processing helix chain 'C' and resid 102 through 114 removed outlier: 3.983A pdb=" N LYS C 111 " --> pdb=" O THR C 107 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N ASN C 112 " --> pdb=" O GLN C 108 " (cutoff:3.500A) Proline residue: C 114 - end of helix Processing helix chain 'C' and resid 120 through 128 removed outlier: 3.743A pdb=" N ALA C 127 " --> pdb=" O MET C 123 " (cutoff:3.500A) removed outlier: 5.058A pdb=" N ASN C 128 " --> pdb=" O LEU C 124 " (cutoff:3.500A) Processing helix chain 'C' and resid 145 through 159 removed outlier: 5.936A pdb=" N LYS C 159 " --> pdb=" O ILE C 155 " (cutoff:3.500A) Processing helix chain 'C' and resid 165 through 171 removed outlier: 3.510A pdb=" N LEU C 170 " --> pdb=" O LYS C 166 " (cutoff:3.500A) Processing helix chain 'C' and resid 181 through 188 Processing helix chain 'C' and resid 221 through 232 removed outlier: 3.634A pdb=" N THR C 225 " --> pdb=" O PHE C 221 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ALA C 231 " --> pdb=" O VAL C 227 " (cutoff:3.500A) Processing helix chain 'C' and resid 246 through 260 removed outlier: 3.553A pdb=" N ASN C 260 " --> pdb=" O SER C 256 " (cutoff:3.500A) Processing helix chain 'C' and resid 269 through 275 Processing helix chain 'C' and resid 280 through 300 removed outlier: 4.104A pdb=" N PHE C 298 " --> pdb=" O ASN C 294 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N THR C 299 " --> pdb=" O ILE C 295 " (cutoff:3.500A) removed outlier: 4.971A pdb=" N LYS C 300 " --> pdb=" O ASN C 296 " (cutoff:3.500A) Processing helix chain 'C' and resid 323 through 331 removed outlier: 4.093A pdb=" N TYR C 331 " --> pdb=" O PHE C 327 " (cutoff:3.500A) Processing helix chain 'C' and resid 332 through 337 removed outlier: 3.504A pdb=" N ILE C 336 " --> pdb=" O TYR C 332 " (cutoff:3.500A) Proline residue: C 337 - end of helix No H-bonds generated for 'chain 'C' and resid 332 through 337' Processing helix chain 'C' and resid 338 through 348 removed outlier: 4.441A pdb=" N ASP C 342 " --> pdb=" O SER C 338 " (cutoff:3.500A) removed outlier: 4.644A pdb=" N ASP C 343 " --> pdb=" O SER C 339 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N THR C 346 " --> pdb=" O ASP C 342 " (cutoff:3.500A) Processing helix chain 'C' and resid 371 through 390 removed outlier: 4.737A pdb=" N ILE C 379 " --> pdb=" O GLU C 375 " (cutoff:3.500A) Proline residue: C 380 - end of helix Processing helix chain 'C' and resid 392 through 403 removed outlier: 3.627A pdb=" N LYS C 397 " --> pdb=" O LYS C 393 " (cutoff:3.500A) removed outlier: 4.152A pdb=" N ASN C 398 " --> pdb=" O ASP C 394 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N LEU C 399 " --> pdb=" O LYS C 395 " (cutoff:3.500A) Processing helix chain 'C' and resid 409 through 415 removed outlier: 4.834A pdb=" N TYR C 415 " --> pdb=" O GLU C 411 " (cutoff:3.500A) Processing helix chain 'C' and resid 416 through 430 removed outlier: 4.251A pdb=" N ARG C 430 " --> pdb=" O GLN C 426 " (cutoff:3.500A) Processing helix chain 'C' and resid 432 through 449 removed outlier: 4.589A pdb=" N VAL C 436 " --> pdb=" O GLN C 432 " (cutoff:3.500A) removed outlier: 4.105A pdb=" N TYR C 443 " --> pdb=" O ILE C 439 " (cutoff:3.500A) removed outlier: 5.691A pdb=" N GLN C 444 " --> pdb=" O THR C 440 " (cutoff:3.500A) Proline residue: C 445 - end of helix removed outlier: 3.643A pdb=" N LEU C 448 " --> pdb=" O GLN C 444 " (cutoff:3.500A) Processing helix chain 'C' and resid 450 through 457 removed outlier: 3.787A pdb=" N LEU C 456 " --> pdb=" O LYS C 452 " (cutoff:3.500A) Processing helix chain 'C' and resid 503 through 510 removed outlier: 3.785A pdb=" N ARG C 510 " --> pdb=" O GLN C 506 " (cutoff:3.500A) Processing helix chain 'C' and resid 567 through 572 removed outlier: 4.585A pdb=" N TYR C 571 " --> pdb=" O ILE C 567 " (cutoff:3.500A) removed outlier: 5.242A pdb=" N ILE C 572 " --> pdb=" O SER C 568 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 567 through 572' Processing helix chain 'C' and resid 582 through 589 Processing helix chain 'C' and resid 611 through 629 removed outlier: 4.201A pdb=" N LEU C 615 " --> pdb=" O LEU C 611 " (cutoff:3.500A) Proline residue: C 616 - end of helix Processing helix chain 'C' and resid 648 through 661 Processing helix chain 'C' and resid 716 through 726 removed outlier: 5.223A pdb=" N ASN C 726 " --> pdb=" O ASP C 722 " (cutoff:3.500A) Processing helix chain 'C' and resid 743 through 755 Processing helix chain 'C' and resid 758 through 765 Processing helix chain 'C' and resid 778 through 785 removed outlier: 4.128A pdb=" N GLU C 782 " --> pdb=" O THR C 778 " (cutoff:3.500A) Proline residue: C 785 - end of helix Processing helix chain 'C' and resid 786 through 806 removed outlier: 3.716A pdb=" N TYR C 791 " --> pdb=" O LEU C 787 " (cutoff:3.500A) removed outlier: 5.191A pdb=" N GLU C 793 " --> pdb=" O SER C 789 " (cutoff:3.500A) removed outlier: 5.133A pdb=" N GLN C 794 " --> pdb=" O LYS C 790 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N GLU C 805 " --> pdb=" O TRP C 801 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N GLY C 806 " --> pdb=" O ALA C 802 " (cutoff:3.500A) Processing helix chain 'C' and resid 834 through 854 Proline residue: C 840 - end of helix removed outlier: 3.975A pdb=" N ILE C 854 " --> pdb=" O LEU C 850 " (cutoff:3.500A) Processing helix chain 'C' and resid 869 through 884 removed outlier: 3.686A pdb=" N LEU C 873 " --> pdb=" O HIS C 869 " (cutoff:3.500A) Proline residue: C 874 - end of helix removed outlier: 3.915A pdb=" N ARG C 884 " --> pdb=" O MET C 880 " (cutoff:3.500A) Processing helix chain 'C' and resid 907 through 912 removed outlier: 4.468A pdb=" N ALA C 912 " --> pdb=" O VAL C 908 " (cutoff:3.500A) Processing helix chain 'C' and resid 913 through 923 Processing helix chain 'C' and resid 961 through 975 removed outlier: 4.745A pdb=" N ASP C 965 " --> pdb=" O SER C 961 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N ARG C 973 " --> pdb=" O LYS C 969 " (cutoff:3.500A) Processing helix chain 'z' and resid 57 through 62 removed outlier: 3.782A pdb=" N ILE z 61 " --> pdb=" O ARG z 57 " (cutoff:3.500A) removed outlier: 5.535A pdb=" N ALA z 62 " --> pdb=" O GLY z 58 " (cutoff:3.500A) No H-bonds generated for 'chain 'z' and resid 57 through 62' Processing helix chain 'q' and resid 1 through 11 removed outlier: 3.649A pdb=" N THR q 9 " --> pdb=" O SER q 5 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N LEU q 10 " --> pdb=" O PHE q 6 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N VAL q 11 " --> pdb=" O PHE q 7 " (cutoff:3.500A) Processing helix chain 'q' and resid 73 through 78 removed outlier: 4.128A pdb=" N VAL q 77 " --> pdb=" O ASN q 73 " (cutoff:3.500A) removed outlier: 5.367A pdb=" N ASP q 78 " --> pdb=" O LYS q 74 " (cutoff:3.500A) No H-bonds generated for 'chain 'q' and resid 73 through 78' Processing helix chain 'q' and resid 79 through 90 removed outlier: 5.436A pdb=" N VAL q 90 " --> pdb=" O THR q 86 " (cutoff:3.500A) Processing helix chain 'r' and resid 3 through 12 removed outlier: 3.541A pdb=" N LEU r 8 " --> pdb=" O PRO r 4 " (cutoff:3.500A) removed outlier: 4.164A pdb=" N LYS r 9 " --> pdb=" O LEU r 5 " (cutoff:3.500A) removed outlier: 4.538A pdb=" N ASN r 11 " --> pdb=" O LEU r 7 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N LEU r 12 " --> pdb=" O LEU r 8 " (cutoff:3.500A) Processing helix chain 'r' and resid 69 through 74 removed outlier: 4.443A pdb=" N VAL r 73 " --> pdb=" O ARG r 69 " (cutoff:3.500A) removed outlier: 5.706A pdb=" N THR r 74 " --> pdb=" O GLY r 70 " (cutoff:3.500A) No H-bonds generated for 'chain 'r' and resid 69 through 74' Processing helix chain 'x' and resid 11 through 20 removed outlier: 3.921A pdb=" N ILE x 20 " --> pdb=" O LEU x 16 " (cutoff:3.500A) Processing helix chain 't' and resid 7 through 16 removed outlier: 3.553A pdb=" N ILE t 16 " --> pdb=" O ILE t 12 " (cutoff:3.500A) Processing helix chain 't' and resid 74 through 79 removed outlier: 4.185A pdb=" N ILE t 78 " --> pdb=" O SER t 74 " (cutoff:3.500A) removed outlier: 5.884A pdb=" N ALA t 79 " --> pdb=" O GLY t 75 " (cutoff:3.500A) No H-bonds generated for 'chain 't' and resid 74 through 79' Processing helix chain 'y' and resid 29 through 34 removed outlier: 4.520A pdb=" N TYR y 33 " --> pdb=" O ASP y 29 " (cutoff:3.500A) Processing helix chain 'y' and resid 95 through 100 removed outlier: 3.618A pdb=" N LEU y 99 " --> pdb=" O ARG y 95 " (cutoff:3.500A) removed outlier: 5.855A pdb=" N VAL y 100 " --> pdb=" O GLY y 96 " (cutoff:3.500A) No H-bonds generated for 'chain 'y' and resid 95 through 100' Processing helix chain 's' and resid 2 through 11 removed outlier: 3.616A pdb=" N LYS s 11 " --> pdb=" O LEU s 7 " (cutoff:3.500A) Processing helix chain 's' and resid 82 through 87 removed outlier: 4.226A pdb=" N ILE s 86 " --> pdb=" O ASP s 83 " (cutoff:3.500A) Processing helix chain 'O' and resid 168 through 173 Processing helix chain 'O' and resid 181 through 206 removed outlier: 3.530A pdb=" N GLU O 186 " --> pdb=" O VAL O 182 " (cutoff:3.500A) Processing helix chain 'O' and resid 214 through 223 removed outlier: 3.522A pdb=" N GLY O 223 " --> pdb=" O GLU O 219 " (cutoff:3.500A) Processing helix chain 'd' and resid 5 through 15 removed outlier: 3.564A pdb=" N LYS d 9 " --> pdb=" O GLY d 5 " (cutoff:3.500A) removed outlier: 4.215A pdb=" N LEU d 11 " --> pdb=" O PRO d 7 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N GLN d 15 " --> pdb=" O LEU d 11 " (cutoff:3.500A) Processing helix chain 'd' and resid 65 through 70 removed outlier: 3.545A pdb=" N ILE d 69 " --> pdb=" O ARG d 65 " (cutoff:3.500A) removed outlier: 5.231A pdb=" N LYS d 70 " --> pdb=" O GLY d 66 " (cutoff:3.500A) No H-bonds generated for 'chain 'd' and resid 65 through 70' Processing helix chain 'd' and resid 75 through 80 removed outlier: 3.513A pdb=" N LEU d 78 " --> pdb=" O PRO d 75 " (cutoff:3.500A) Processing helix chain 'a' and resid 9 through 16 removed outlier: 3.596A pdb=" N ALA a 13 " --> pdb=" O SER a 9 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N ASN a 14 " --> pdb=" O SER a 10 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N LEU a 15 " --> pdb=" O ARG a 11 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N ILE a 16 " --> pdb=" O LEU a 12 " (cutoff:3.500A) No H-bonds generated for 'chain 'a' and resid 9 through 16' Processing helix chain 'a' and resid 88 through 93 removed outlier: 3.931A pdb=" N ILE a 92 " --> pdb=" O ARG a 88 " (cutoff:3.500A) removed outlier: 5.613A pdb=" N LEU a 93 " --> pdb=" O GLY a 89 " (cutoff:3.500A) No H-bonds generated for 'chain 'a' and resid 88 through 93' Processing helix chain 'b' and resid 2 through 11 removed outlier: 4.452A pdb=" N PHE b 6 " --> pdb=" O LYS b 2 " (cutoff:3.500A) removed outlier: 3.832A pdb=" N LEU b 7 " --> pdb=" O LEU b 3 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N LYS b 8 " --> pdb=" O VAL b 4 " (cutoff:3.500A) removed outlier: 3.900A pdb=" N LYS b 9 " --> pdb=" O ASN b 5 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N LEU b 10 " --> pdb=" O PHE b 6 " (cutoff:3.500A) removed outlier: 4.081A pdb=" N ARG b 11 " --> pdb=" O LEU b 7 " (cutoff:3.500A) No H-bonds generated for 'chain 'b' and resid 2 through 11' Processing helix chain 'b' and resid 102 through 108 removed outlier: 3.830A pdb=" N LEU b 106 " --> pdb=" O ASN b 102 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N VAL b 108 " --> pdb=" O ASP b 104 " (cutoff:3.500A) Processing helix chain 'c' and resid 20 through 29 removed outlier: 4.387A pdb=" N PHE c 24 " --> pdb=" O GLU c 20 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLU c 25 " --> pdb=" O LEU c 21 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N PHE c 26 " --> pdb=" O GLU c 22 " (cutoff:3.500A) removed outlier: 4.211A pdb=" N LYS c 27 " --> pdb=" O GLU c 23 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N HIS c 28 " --> pdb=" O PHE c 24 " (cutoff:3.500A) Processing helix chain 'c' and resid 30 through 41 removed outlier: 4.625A pdb=" N ILE c 34 " --> pdb=" O PRO c 30 " (cutoff:3.500A) Processing helix chain 'c' and resid 97 through 102 removed outlier: 4.292A pdb=" N VAL c 101 " --> pdb=" O ARG c 97 " (cutoff:3.500A) removed outlier: 5.495A pdb=" N ILE c 102 " --> pdb=" O GLY c 98 " (cutoff:3.500A) No H-bonds generated for 'chain 'c' and resid 97 through 102' Processing helix chain 'e' and resid 12 through 24 removed outlier: 3.664A pdb=" N PHE e 20 " --> pdb=" O CYS e 16 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N LEU e 21 " --> pdb=" O ILE e 17 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N GLN e 22 " --> pdb=" O PHE e 18 " (cutoff:3.500A) Processing helix chain 'f' and resid 14 through 23 Processing helix chain 'D' and resid 447 through 452 removed outlier: 4.424A pdb=" N SER D 452 " --> pdb=" O LEU D 448 " (cutoff:3.500A) Processing helix chain 'D' and resid 484 through 492 removed outlier: 3.702A pdb=" N GLN D 488 " --> pdb=" O PRO D 484 " (cutoff:3.500A) removed outlier: 4.948A pdb=" N GLU D 489 " --> pdb=" O ASP D 485 " (cutoff:3.500A) removed outlier: 4.654A pdb=" N ALA D 490 " --> pdb=" O TRP D 486 " (cutoff:3.500A) removed outlier: 4.672A pdb=" N PHE D 491 " --> pdb=" O CYS D 487 " (cutoff:3.500A) Proline residue: D 492 - end of helix No H-bonds generated for 'chain 'D' and resid 484 through 492' Processing helix chain 'D' and resid 502 through 513 removed outlier: 3.964A pdb=" N VAL D 506 " --> pdb=" O ILE D 502 " (cutoff:3.500A) Processing helix chain 'D' and resid 525 through 543 removed outlier: 4.170A pdb=" N ASN D 529 " --> pdb=" O SER D 525 " (cutoff:3.500A) Processing helix chain 'D' and resid 563 through 579 Processing helix chain 'D' and resid 595 through 603 removed outlier: 3.774A pdb=" N ILE D 599 " --> pdb=" O SER D 595 " (cutoff:3.500A) removed outlier: 4.211A pdb=" N ASP D 600 " --> pdb=" O ARG D 596 " (cutoff:3.500A) removed outlier: 5.248A pdb=" N GLN D 603 " --> pdb=" O ILE D 599 " (cutoff:3.500A) Processing helix chain 'D' and resid 608 through 618 removed outlier: 3.591A pdb=" N ASN D 618 " --> pdb=" O ILE D 614 " (cutoff:3.500A) Processing helix chain 'D' and resid 621 through 629 removed outlier: 3.693A pdb=" N VAL D 625 " --> pdb=" O ASN D 621 " (cutoff:3.500A) removed outlier: 5.557A pdb=" N ARG D 629 " --> pdb=" O VAL D 625 " (cutoff:3.500A) Processing helix chain 'D' and resid 637 through 642 removed outlier: 4.670A pdb=" N ASP D 641 " --> pdb=" O HIS D 637 " (cutoff:3.500A) removed outlier: 4.788A pdb=" N ASP D 642 " --> pdb=" O LEU D 638 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 637 through 642' Processing helix chain 'D' and resid 643 through 656 removed outlier: 3.876A pdb=" N LEU D 647 " --> pdb=" O ARG D 643 " (cutoff:3.500A) Processing helix chain 'D' and resid 676 through 685 Processing helix chain 'D' and resid 695 through 700 removed outlier: 4.366A pdb=" N ARG D 699 " --> pdb=" O ASP D 695 " (cutoff:3.500A) Proline residue: D 700 - end of helix No H-bonds generated for 'chain 'D' and resid 695 through 700' Processing helix chain 'D' and resid 714 through 737 removed outlier: 3.672A pdb=" N LYS D 720 " --> pdb=" O LEU D 716 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N ASN D 735 " --> pdb=" O LEU D 731 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N GLU D 736 " --> pdb=" O GLU D 732 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLY D 737 " --> pdb=" O SER D 733 " (cutoff:3.500A) Processing helix chain 'D' and resid 746 through 765 removed outlier: 3.838A pdb=" N SER D 751 " --> pdb=" O ARG D 747 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N ARG D 752 " --> pdb=" O LYS D 748 " (cutoff:3.500A) Processing helix chain 'D' and resid 773 through 785 Processing helix chain 'D' and resid 793 through 800 Processing helix chain 'D' and resid 809 through 823 Processing helix chain 'D' and resid 832 through 837 removed outlier: 3.749A pdb=" N TRP D 836 " --> pdb=" O ALA D 832 " (cutoff:3.500A) Processing helix chain 'D' and resid 864 through 875 removed outlier: 3.554A pdb=" N GLN D 870 " --> pdb=" O GLN D 866 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N ARG D 874 " --> pdb=" O GLN D 870 " (cutoff:3.500A) removed outlier: 5.476A pdb=" N ALA D 875 " --> pdb=" O MET D 871 " (cutoff:3.500A) Processing helix chain 'D' and resid 891 through 904 removed outlier: 4.316A pdb=" N GLN D 896 " --> pdb=" O GLN D 892 " (cutoff:3.500A) removed outlier: 4.982A pdb=" N TYR D 897 " --> pdb=" O SER D 893 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N SER D 900 " --> pdb=" O GLN D 896 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N GLN D 904 " --> pdb=" O SER D 900 " (cutoff:3.500A) Processing helix chain 'D' and resid 911 through 927 removed outlier: 5.295A pdb=" N LYS D 915 " --> pdb=" O GLN D 911 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N VAL D 917 " --> pdb=" O VAL D 913 " (cutoff:3.500A) removed outlier: 5.118A pdb=" N ASP D 918 " --> pdb=" O SER D 914 " (cutoff:3.500A) Processing helix chain 'D' and resid 931 through 943 removed outlier: 3.743A pdb=" N TYR D 941 " --> pdb=" O ASN D 937 " (cutoff:3.500A) removed outlier: 5.563A pdb=" N TYR D 943 " --> pdb=" O LEU D 939 " (cutoff:3.500A) Processing helix chain 'D' and resid 944 through 952 Proline residue: D 952 - end of helix Processing helix chain 'D' and resid 966 through 985 removed outlier: 3.564A pdb=" N ILE D 980 " --> pdb=" O SER D 976 " (cutoff:3.500A) Processing helix chain 'D' and resid 999 through 1009 Processing helix chain 'D' and resid 1011 through 1022 Processing helix chain 'D' and resid 1027 through 1038 removed outlier: 3.664A pdb=" N PHE D1032 " --> pdb=" O GLN D1028 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG D1033 " --> pdb=" O ILE D1029 " (cutoff:3.500A) Processing helix chain 'D' and resid 1047 through 1061 removed outlier: 4.486A pdb=" N ARG D1052 " --> pdb=" O TYR D1048 " (cutoff:3.500A) removed outlier: 5.082A pdb=" N GLU D1053 " --> pdb=" O GLU D1049 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N GLU D1059 " --> pdb=" O LYS D1055 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS D1060 " --> pdb=" O GLN D1056 " (cutoff:3.500A) Processing helix chain 'D' and resid 1071 through 1086 removed outlier: 3.522A pdb=" N LYS D1075 " --> pdb=" O ASP D1071 " (cutoff:3.500A) Processing helix chain 'D' and resid 1091 through 1120 removed outlier: 3.759A pdb=" N ASN D1095 " --> pdb=" O GLY D1091 " (cutoff:3.500A) removed outlier: 4.828A pdb=" N GLY D1106 " --> pdb=" O HIS D1102 " (cutoff:3.500A) removed outlier: 5.048A pdb=" N ARG D1107 " --> pdb=" O GLN D1103 " (cutoff:3.500A) Processing helix chain 'D' and resid 1122 through 1138 removed outlier: 3.745A pdb=" N ARG D1126 " --> pdb=" O GLY D1122 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N MET D1127 " --> pdb=" O HIS D1123 " (cutoff:3.500A) Processing helix chain 'D' and resid 1145 through 1150 removed outlier: 4.238A pdb=" N PHE D1149 " --> pdb=" O PRO D1145 " (cutoff:3.500A) removed outlier: 5.809A pdb=" N LYS D1150 " --> pdb=" O LEU D1146 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1145 through 1150' Processing helix chain 'D' and resid 1153 through 1164 removed outlier: 3.632A pdb=" N ILE D1157 " --> pdb=" O PRO D1153 " (cutoff:3.500A) removed outlier: 4.040A pdb=" N THR D1164 " --> pdb=" O LEU D1160 " (cutoff:3.500A) Processing helix chain 'D' and resid 1166 through 1174 removed outlier: 3.773A pdb=" N TYR D1170 " --> pdb=" O PRO D1166 " (cutoff:3.500A) removed outlier: 5.622A pdb=" N GLU D1174 " --> pdb=" O TYR D1170 " (cutoff:3.500A) Processing helix chain 'D' and resid 1175 through 1184 Processing helix chain 'D' and resid 1188 through 1200 Proline residue: D1200 - end of helix Processing helix chain 'D' and resid 1277 through 1284 removed outlier: 3.815A pdb=" N LEU D1284 " --> pdb=" O ASN D1280 " (cutoff:3.500A) Processing helix chain 'D' and resid 1336 through 1343 removed outlier: 4.247A pdb=" N SER D1340 " --> pdb=" O ASN D1336 " (cutoff:3.500A) removed outlier: 4.248A pdb=" N GLU D1341 " --> pdb=" O ASP D1337 " (cutoff:3.500A) removed outlier: 4.840A pdb=" N VAL D1342 " --> pdb=" O ASP D1338 " (cutoff:3.500A) removed outlier: 5.089A pdb=" N PHE D1343 " --> pdb=" O PHE D1339 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1336 through 1343' Processing helix chain 'D' and resid 1349 through 1360 removed outlier: 3.587A pdb=" N GLN D1354 " --> pdb=" O LYS D1350 " (cutoff:3.500A) removed outlier: 4.750A pdb=" N GLU D1357 " --> pdb=" O SER D1353 " (cutoff:3.500A) removed outlier: 5.342A pdb=" N SER D1358 " --> pdb=" O GLN D1354 " (cutoff:3.500A) Processing helix chain 'D' and resid 1375 through 1391 removed outlier: 3.736A pdb=" N GLN D1390 " --> pdb=" O ASN D1386 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N ASN D1391 " --> pdb=" O HIS D1387 " (cutoff:3.500A) Processing helix chain 'D' and resid 1401 through 1421 removed outlier: 3.882A pdb=" N LYS D1414 " --> pdb=" O SER D1410 " (cutoff:3.500A) removed outlier: 4.031A pdb=" N ARG D1415 " --> pdb=" O ASP D1411 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N SER D1417 " --> pdb=" O ASN D1413 " (cutoff:3.500A) removed outlier: 5.467A pdb=" N HIS D1418 " --> pdb=" O LYS D1414 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N LEU D1419 " --> pdb=" O ARG D1415 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N ALA D1420 " --> pdb=" O PHE D1416 " (cutoff:3.500A) Processing helix chain 'D' and resid 1431 through 1442 Processing helix chain 'D' and resid 1448 through 1457 Processing helix chain 'D' and resid 1458 through 1463 removed outlier: 4.120A pdb=" N LYS D1463 " --> pdb=" O TRP D1459 " (cutoff:3.500A) Processing helix chain 'D' and resid 1475 through 1482 removed outlier: 4.743A pdb=" N ILE D1479 " --> pdb=" O ASP D1475 " (cutoff:3.500A) removed outlier: 4.998A pdb=" N SER D1480 " --> pdb=" O ALA D1476 " (cutoff:3.500A) removed outlier: 4.739A pdb=" N GLN D1481 " --> pdb=" O HIS D1477 " (cutoff:3.500A) removed outlier: 5.474A pdb=" N GLY D1482 " --> pdb=" O GLU D1478 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1475 through 1482' Processing helix chain 'D' and resid 1483 through 1503 Processing helix chain 'D' and resid 1517 through 1526 removed outlier: 3.525A pdb=" N ALA D1525 " --> pdb=" O PHE D1521 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N GLY D1526 " --> pdb=" O GLY D1522 " (cutoff:3.500A) Processing helix chain 'D' and resid 1528 through 1533 removed outlier: 5.646A pdb=" N TYR D1533 " --> pdb=" O LYS D1529 " (cutoff:3.500A) Processing helix chain 'D' and resid 1560 through 1578 removed outlier: 4.073A pdb=" N ARG D1578 " --> pdb=" O ALA D1574 " (cutoff:3.500A) Processing helix chain 'D' and resid 1587 through 1606 removed outlier: 3.930A pdb=" N ALA D1604 " --> pdb=" O LYS D1600 " (cutoff:3.500A) removed outlier: 3.701A pdb=" N ILE D1605 " --> pdb=" O PHE D1601 " (cutoff:3.500A) removed outlier: 4.756A pdb=" N GLU D1606 " --> pdb=" O SER D1602 " (cutoff:3.500A) Processing helix chain 'D' and resid 1613 through 1622 removed outlier: 4.181A pdb=" N ILE D1617 " --> pdb=" O GLU D1613 " (cutoff:3.500A) removed outlier: 4.488A pdb=" N VAL D1618 " --> pdb=" O GLU D1614 " (cutoff:3.500A) Proline residue: D1619 - end of helix Processing helix chain 'D' and resid 1628 through 1636 Proline residue: D1632 - end of helix removed outlier: 3.838A pdb=" N HIS D1635 " --> pdb=" O ALA D1631 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N GLY D1636 " --> pdb=" O PRO D1632 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1628 through 1636' Processing helix chain 'D' and resid 1645 through 1659 Processing helix chain 'D' and resid 1699 through 1709 removed outlier: 4.498A pdb=" N LEU D1709 " --> pdb=" O GLU D1705 " (cutoff:3.500A) Processing helix chain 'D' and resid 1726 through 1738 removed outlier: 4.370A pdb=" N ALA D1730 " --> pdb=" O HIS D1726 " (cutoff:3.500A) removed outlier: 4.694A pdb=" N TYR D1731 " --> pdb=" O ASN D1727 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N ILE D1737 " --> pdb=" O LYS D1733 " (cutoff:3.500A) Processing helix chain 'D' and resid 1745 through 1761 removed outlier: 3.983A pdb=" N ILE D1749 " --> pdb=" O TYR D1745 " (cutoff:3.500A) removed outlier: 5.871A pdb=" N HIS D1751 " --> pdb=" O GLN D1747 " (cutoff:3.500A) removed outlier: 5.992A pdb=" N ASP D1752 " --> pdb=" O TYR D1748 " (cutoff:3.500A) Processing helix chain 'D' and resid 1765 through 1776 removed outlier: 4.014A pdb=" N TYR D1775 " --> pdb=" O ASP D1771 " (cutoff:3.500A) removed outlier: 4.738A pdb=" N SER D1776 " --> pdb=" O TRP D1772 " (cutoff:3.500A) Processing helix chain 'D' and resid 1777 through 1786 Proline residue: D1786 - end of helix Processing helix chain 'D' and resid 1795 through 1818 Processing helix chain 'D' and resid 1847 through 1857 Processing helix chain 'D' and resid 1859 through 1870 Processing helix chain 'D' and resid 1875 through 1886 removed outlier: 4.828A pdb=" N ALA D1886 " --> pdb=" O VAL D1882 " (cutoff:3.500A) Processing helix chain 'D' and resid 1895 through 1910 removed outlier: 5.305A pdb=" N ARG D1899 " --> pdb=" O ARG D1895 " (cutoff:3.500A) removed outlier: 4.284A pdb=" N LYS D1907 " --> pdb=" O VAL D1903 " (cutoff:3.500A) removed outlier: 5.039A pdb=" N ARG D1908 " --> pdb=" O LYS D1904 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N LEU D1909 " --> pdb=" O LEU D1905 " (cutoff:3.500A) Proline residue: D1910 - end of helix Processing helix chain 'D' and resid 1921 through 1936 removed outlier: 3.853A pdb=" N LYS D1925 " --> pdb=" O SER D1921 " (cutoff:3.500A) removed outlier: 4.259A pdb=" N ARG D1936 " --> pdb=" O ALA D1932 " (cutoff:3.500A) Processing helix chain 'D' and resid 1940 through 1969 removed outlier: 3.731A pdb=" N ASN D1945 " --> pdb=" O VAL D1941 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N ASP D1946 " --> pdb=" O ASP D1942 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL D1955 " --> pdb=" O LEU D1951 " (cutoff:3.500A) Proline residue: D1956 - end of helix Processing helix chain 'D' and resid 1972 through 1986 removed outlier: 3.650A pdb=" N ALA D1976 " --> pdb=" O ASN D1972 " (cutoff:3.500A) Processing helix chain 'D' and resid 1992 through 1997 removed outlier: 4.534A pdb=" N GLN D1996 " --> pdb=" O ASN D1992 " (cutoff:3.500A) removed outlier: 4.437A pdb=" N ILE D1997 " --> pdb=" O PRO D1993 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1992 through 1997' Processing helix chain 'D' and resid 2001 through 2012 Processing helix chain 'D' and resid 2015 through 2023 removed outlier: 4.586A pdb=" N ILE D2019 " --> pdb=" O THR D2015 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N MET D2020 " --> pdb=" O VAL D2016 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N ALA D2021 " --> pdb=" O TYR D2017 " (cutoff:3.500A) removed outlier: 5.542A pdb=" N GLU D2023 " --> pdb=" O ILE D2019 " (cutoff:3.500A) Processing helix chain 'D' and resid 2024 through 2032 removed outlier: 4.293A pdb=" N THR D2032 " --> pdb=" O ASP D2028 " (cutoff:3.500A) Processing helix chain 'D' and resid 2034 through 2049 Proline residue: D2049 - end of helix Processing helix chain 'D' and resid 1887 through 1892 removed outlier: 4.098A pdb=" N SER D1891 " --> pdb=" O GLU D1888 " (cutoff:3.500A) Processing helix chain 'D' and resid 1229 through 1234 removed outlier: 3.761A pdb=" N GLY D1234 " --> pdb=" O ASP D1229 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1229 through 1234' Processing helix chain 'P' and resid 88 through 93 removed outlier: 5.924A pdb=" N LEU P 93 " --> pdb=" O GLY P 89 " (cutoff:3.500A) Processing helix chain 'Q' and resid 2 through 11 removed outlier: 3.921A pdb=" N PHE Q 6 " --> pdb=" O LYS Q 2 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N LEU Q 10 " --> pdb=" O PHE Q 6 " (cutoff:3.500A) removed outlier: 4.484A pdb=" N ARG Q 11 " --> pdb=" O LEU Q 7 " (cutoff:3.500A) Processing helix chain 'Q' and resid 88 through 93 removed outlier: 3.763A pdb=" N ILE Q 92 " --> pdb=" O ARG Q 88 " (cutoff:3.500A) removed outlier: 5.622A pdb=" N ARG Q 93 " --> pdb=" O GLY Q 89 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 88 through 93' Processing helix chain 'Q' and resid 102 through 119 removed outlier: 3.858A pdb=" N VAL Q 108 " --> pdb=" O ASP Q 104 " (cutoff:3.500A) removed outlier: 5.010A pdb=" N ASP Q 109 " --> pdb=" O SER Q 105 " (cutoff:3.500A) removed outlier: 6.202A pdb=" N GLN Q 110 " --> pdb=" O LEU Q 106 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N LYS Q 111 " --> pdb=" O LEU Q 107 " (cutoff:3.500A) removed outlier: 6.080A pdb=" N GLN Q 112 " --> pdb=" O VAL Q 108 " (cutoff:3.500A) Processing helix chain 'R' and resid 17 through 29 Processing helix chain 'R' and resid 31 through 41 Processing helix chain 'S' and resid 5 through 15 removed outlier: 3.692A pdb=" N GLN S 15 " --> pdb=" O LEU S 11 " (cutoff:3.500A) Processing helix chain 'S' and resid 75 through 81 removed outlier: 3.797A pdb=" N LEU S 78 " --> pdb=" O PRO S 75 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN S 80 " --> pdb=" O LEU S 77 " (cutoff:3.500A) Processing helix chain 'T' and resid 12 through 24 Processing helix chain 'T' and resid 83 through 88 removed outlier: 4.074A pdb=" N ILE T 87 " --> pdb=" O LYS T 83 " (cutoff:3.500A) removed outlier: 5.576A pdb=" N THR T 88 " --> pdb=" O GLY T 84 " (cutoff:3.500A) No H-bonds generated for 'chain 'T' and resid 83 through 88' Processing helix chain 'U' and resid 14 through 24 removed outlier: 5.630A pdb=" N ASN U 24 " --> pdb=" O LYS U 20 " (cutoff:3.500A) Processing helix chain 'V' and resid 64 through 69 removed outlier: 5.531A pdb=" N ILE V 69 " --> pdb=" O GLY V 65 " (cutoff:3.500A) Processing helix chain 'h' and resid 11 through 16 removed outlier: 4.035A pdb=" N LEU h 15 " --> pdb=" O ARG h 11 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N ILE h 16 " --> pdb=" O LEU h 12 " (cutoff:3.500A) No H-bonds generated for 'chain 'h' and resid 11 through 16' Processing helix chain 'h' and resid 88 through 93 removed outlier: 5.235A pdb=" N LEU h 93 " --> pdb=" O GLY h 89 " (cutoff:3.500A) Processing helix chain 'i' and resid 12 through 24 Processing helix chain 'i' and resid 83 through 88 removed outlier: 3.600A pdb=" N ILE i 87 " --> pdb=" O LYS i 83 " (cutoff:3.500A) removed outlier: 5.999A pdb=" N THR i 88 " --> pdb=" O GLY i 84 " (cutoff:3.500A) No H-bonds generated for 'chain 'i' and resid 83 through 88' Processing helix chain 'j' and resid 14 through 23 removed outlier: 3.667A pdb=" N PHE j 18 " --> pdb=" O ASN j 14 " (cutoff:3.500A) Processing helix chain 'l' and resid 5 through 15 Processing helix chain 'l' and resid 65 through 70 removed outlier: 5.252A pdb=" N LYS l 70 " --> pdb=" O GLY l 66 " (cutoff:3.500A) Processing helix chain 'l' and resid 75 through 82 removed outlier: 4.590A pdb=" N LYS l 79 " --> pdb=" O PRO l 75 " (cutoff:3.500A) removed outlier: 4.568A pdb=" N ASN l 80 " --> pdb=" O ASP l 76 " (cutoff:3.500A) removed outlier: 4.421A pdb=" N ALA l 81 " --> pdb=" O LEU l 77 " (cutoff:3.500A) Proline residue: l 82 - end of helix No H-bonds generated for 'chain 'l' and resid 75 through 82' Processing helix chain 'm' and resid 2 through 11 removed outlier: 3.876A pdb=" N PHE m 6 " --> pdb=" O LYS m 2 " (cutoff:3.500A) removed outlier: 4.918A pdb=" N ARG m 11 " --> pdb=" O LEU m 7 " (cutoff:3.500A) Processing helix chain 'm' and resid 88 through 93 removed outlier: 3.589A pdb=" N ILE m 92 " --> pdb=" O ARG m 88 " (cutoff:3.500A) removed outlier: 5.687A pdb=" N ARG m 93 " --> pdb=" O GLY m 89 " (cutoff:3.500A) No H-bonds generated for 'chain 'm' and resid 88 through 93' Processing helix chain 'm' and resid 102 through 108 Processing helix chain 'n' and resid 97 through 102 removed outlier: 4.129A pdb=" N VAL n 101 " --> pdb=" O ARG n 97 " (cutoff:3.500A) removed outlier: 5.537A pdb=" N ILE n 102 " --> pdb=" O GLY n 98 " (cutoff:3.500A) No H-bonds generated for 'chain 'n' and resid 97 through 102' Processing helix chain 'o' and resid 4 through 11 removed outlier: 3.512A pdb=" N ASP o 10 " --> pdb=" O SER o 6 " (cutoff:3.500A) Processing helix chain 'o' and resid 110 through 120 removed outlier: 3.769A pdb=" N LEU o 114 " --> pdb=" O ARG o 110 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N GLN o 115 " --> pdb=" O PHE o 111 " (cutoff:3.500A) removed outlier: 5.036A pdb=" N ARG o 116 " --> pdb=" O GLU o 112 " (cutoff:3.500A) removed outlier: 5.968A pdb=" N LEU o 117 " --> pdb=" O ASP o 113 " (cutoff:3.500A) removed outlier: 4.534A pdb=" N ARG o 118 " --> pdb=" O LEU o 114 " (cutoff:3.500A) removed outlier: 4.645A pdb=" N ARG o 119 " --> pdb=" O GLN o 115 " (cutoff:3.500A) removed outlier: 4.582A pdb=" N ALA o 120 " --> pdb=" O ARG o 116 " (cutoff:3.500A) No H-bonds generated for 'chain 'o' and resid 110 through 120' Processing helix chain 'o' and resid 132 through 137 removed outlier: 4.534A pdb=" N HIS o 136 " --> pdb=" O ASN o 132 " (cutoff:3.500A) removed outlier: 4.201A pdb=" N LEU o 137 " --> pdb=" O GLN o 133 " (cutoff:3.500A) No H-bonds generated for 'chain 'o' and resid 132 through 137' Processing helix chain 'o' and resid 139 through 148 Processing helix chain 'p' and resid 40 through 54 removed outlier: 4.196A pdb=" N THR p 54 " --> pdb=" O LEU p 50 " (cutoff:3.500A) Processing helix chain 'p' and resid 78 through 89 removed outlier: 3.516A pdb=" N ALA p 82 " --> pdb=" O THR p 78 " (cutoff:3.500A) Processing helix chain '1' and resid 156 through 175 removed outlier: 3.529A pdb=" N LYS 1 161 " --> pdb=" O ASN 1 157 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N LYS 1 162 " --> pdb=" O LYS 1 158 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N SER 1 167 " --> pdb=" O GLU 1 163 " (cutoff:3.500A) Processing helix chain '1' and resid 177 through 196 removed outlier: 3.631A pdb=" N ARG 1 186 " --> pdb=" O ARG 1 182 " (cutoff:3.500A) removed outlier: 5.342A pdb=" N VAL 1 193 " --> pdb=" O THR 1 189 " (cutoff:3.500A) removed outlier: 5.573A pdb=" N THR 1 194 " --> pdb=" O ASP 1 190 " (cutoff:3.500A) removed outlier: 5.242A pdb=" N GLY 1 196 " --> pdb=" O ALA 1 192 " (cutoff:3.500A) Processing helix chain '1' and resid 197 through 210 Proline residue: 1 206 - end of helix removed outlier: 3.890A pdb=" N LEU 1 209 " --> pdb=" O LEU 1 205 " (cutoff:3.500A) removed outlier: 4.277A pdb=" N ASP 1 210 " --> pdb=" O PRO 1 206 " (cutoff:3.500A) Processing helix chain '1' and resid 214 through 233 removed outlier: 3.587A pdb=" N MET 1 221 " --> pdb=" O GLU 1 217 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N GLN 1 231 " --> pdb=" O ARG 1 227 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N GLY 1 233 " --> pdb=" O LEU 1 229 " (cutoff:3.500A) Processing helix chain '1' and resid 236 through 253 Proline residue: 1 249 - end of helix removed outlier: 4.814A pdb=" N ILE 1 252 " --> pdb=" O ALA 1 248 " (cutoff:3.500A) removed outlier: 4.022A pdb=" N ASP 1 253 " --> pdb=" O PRO 1 249 " (cutoff:3.500A) Processing helix chain '1' and resid 255 through 274 removed outlier: 3.607A pdb=" N ILE 1 265 " --> pdb=" O THR 1 261 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N ILE 1 266 " --> pdb=" O GLY 1 262 " (cutoff:3.500A) removed outlier: 3.917A pdb=" N THR 1 271 " --> pdb=" O THR 1 267 " (cutoff:3.500A) Processing helix chain '1' and resid 275 through 286 removed outlier: 3.568A pdb=" N LEU 1 279 " --> pdb=" O LEU 1 275 " (cutoff:3.500A) Proline residue: 1 284 - end of helix Processing helix chain '1' and resid 290 through 309 removed outlier: 3.805A pdb=" N ARG 1 294 " --> pdb=" O ASP 1 290 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N ARG 1 299 " --> pdb=" O ASN 1 295 " (cutoff:3.500A) Processing helix chain '1' and resid 310 through 323 Proline residue: 1 315 - end of helix Processing helix chain '1' and resid 326 through 345 removed outlier: 3.635A pdb=" N ARG 1 330 " --> pdb=" O SER 1 326 " (cutoff:3.500A) removed outlier: 4.058A pdb=" N VAL 1 337 " --> pdb=" O GLY 1 333 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N GLY 1 345 " --> pdb=" O GLY 1 341 " (cutoff:3.500A) Processing helix chain '1' and resid 353 through 363 removed outlier: 3.966A pdb=" N CYS 1 358 " --> pdb=" O GLY 1 354 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N ILE 1 359 " --> pdb=" O LEU 1 355 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LYS 1 360 " --> pdb=" O MET 1 356 " (cutoff:3.500A) removed outlier: 4.876A pdb=" N ASP 1 361 " --> pdb=" O SER 1 357 " (cutoff:3.500A) Processing helix chain '1' and resid 367 through 386 Processing helix chain '1' and resid 389 through 397 removed outlier: 3.546A pdb=" N PHE 1 393 " --> pdb=" O GLY 1 389 " (cutoff:3.500A) removed outlier: 5.159A pdb=" N VAL 1 395 " --> pdb=" O GLU 1 391 " (cutoff:3.500A) removed outlier: 4.568A pdb=" N VAL 1 396 " --> pdb=" O VAL 1 392 " (cutoff:3.500A) Processing helix chain '1' and resid 398 through 407 removed outlier: 3.694A pdb=" N LYS 1 402 " --> pdb=" O GLU 1 398 " (cutoff:3.500A) removed outlier: 4.239A pdb=" N SER 1 406 " --> pdb=" O LYS 1 402 " (cutoff:3.500A) Processing helix chain '1' and resid 409 through 424 removed outlier: 4.097A pdb=" N SER 1 413 " --> pdb=" O GLY 1 409 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N SER 1 414 " --> pdb=" O LYS 1 410 " (cutoff:3.500A) Proline residue: 1 424 - end of helix Processing helix chain '1' and resid 428 through 446 removed outlier: 3.542A pdb=" N GLY 1 432 " --> pdb=" O PRO 1 428 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N TYR 1 433 " --> pdb=" O GLU 1 429 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N ARG 1 440 " --> pdb=" O THR 1 436 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N ILE 1 441 " --> pdb=" O GLU 1 437 " (cutoff:3.500A) Processing helix chain '1' and resid 450 through 468 removed outlier: 3.571A pdb=" N SER 1 465 " --> pdb=" O LEU 1 461 " (cutoff:3.500A) removed outlier: 4.967A pdb=" N ALA 1 466 " --> pdb=" O GLN 1 462 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N VAL 1 467 " --> pdb=" O LYS 1 463 " (cutoff:3.500A) removed outlier: 5.633A pdb=" N GLU 1 468 " --> pdb=" O CYS 1 464 " (cutoff:3.500A) Processing helix chain '1' and resid 471 through 478 Processing helix chain '1' and resid 479 through 487 removed outlier: 3.740A pdb=" N LYS 1 486 " --> pdb=" O GLU 1 482 " (cutoff:3.500A) Processing helix chain '1' and resid 489 through 496 removed outlier: 4.096A pdb=" N ALA 1 493 " --> pdb=" O VAL 1 489 " (cutoff:3.500A) removed outlier: 4.064A pdb=" N LEU 1 494 " --> pdb=" O ARG 1 490 " (cutoff:3.500A) removed outlier: 4.508A pdb=" N ASP 1 495 " --> pdb=" O ARG 1 491 " (cutoff:3.500A) removed outlier: 5.335A pdb=" N ARG 1 496 " --> pdb=" O VAL 1 492 " (cutoff:3.500A) No H-bonds generated for 'chain '1' and resid 489 through 496' Processing helix chain '1' and resid 497 through 513 removed outlier: 3.683A pdb=" N VAL 1 501 " --> pdb=" O PRO 1 497 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N LYS 1 511 " --> pdb=" O VAL 1 507 " (cutoff:3.500A) removed outlier: 4.527A pdb=" N LYS 1 512 " --> pdb=" O THR 1 508 " (cutoff:3.500A) Processing helix chain '1' and resid 514 through 527 removed outlier: 4.640A pdb=" N THR 1 524 " --> pdb=" O ASP 1 520 " (cutoff:3.500A) Proline residue: 1 525 - end of helix Processing helix chain '1' and resid 530 through 549 removed outlier: 3.536A pdb=" N VAL 1 541 " --> pdb=" O ALA 1 537 " (cutoff:3.500A) Processing helix chain '1' and resid 554 through 572 removed outlier: 3.685A pdb=" N ILE 1 562 " --> pdb=" O GLU 1 558 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N GLN 1 572 " --> pdb=" O ALA 1 568 " (cutoff:3.500A) Processing helix chain '1' and resid 577 through 591 Processing helix chain '1' and resid 592 through 599 Proline residue: 1 596 - end of helix removed outlier: 4.364A pdb=" N ALA 1 599 " --> pdb=" O LYS 1 595 " (cutoff:3.500A) No H-bonds generated for 'chain '1' and resid 592 through 599' Processing helix chain '1' and resid 600 through 612 removed outlier: 4.190A pdb=" N LYS 1 610 " --> pdb=" O LEU 1 606 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N HIS 1 611 " --> pdb=" O ASN 1 607 " (cutoff:3.500A) removed outlier: 5.771A pdb=" N LYS 1 612 " --> pdb=" O HIS 1 608 " (cutoff:3.500A) Processing helix chain '1' and resid 613 through 631 removed outlier: 3.524A pdb=" N LEU 1 623 " --> pdb=" O HIS 1 619 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N CYS 1 624 " --> pdb=" O ALA 1 620 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N ALA 1 625 " --> pdb=" O ALA 1 621 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N ILE 1 626 " --> pdb=" O ASP 1 622 " (cutoff:3.500A) Proline residue: 1 629 - end of helix Processing helix chain '1' and resid 636 through 652 removed outlier: 3.638A pdb=" N LEU 1 640 " --> pdb=" O GLU 1 636 " (cutoff:3.500A) removed outlier: 4.942A pdb=" N GLY 1 652 " --> pdb=" O TYR 1 648 " (cutoff:3.500A) Processing helix chain '1' and resid 655 through 673 removed outlier: 3.958A pdb=" N SER 1 661 " --> pdb=" O GLU 1 657 " (cutoff:3.500A) Processing helix chain '1' and resid 682 through 694 Proline residue: 1 687 - end of helix Proline residue: 1 691 - end of helix removed outlier: 4.585A pdb=" N ARG 1 694 " --> pdb=" O THR 1 690 " (cutoff:3.500A) Processing helix chain '1' and resid 697 through 715 removed outlier: 5.691A pdb=" N GLU 1 701 " --> pdb=" O HIS 1 697 " (cutoff:3.500A) Processing helix chain '1' and resid 720 through 736 removed outlier: 3.519A pdb=" N GLU 1 733 " --> pdb=" O PHE 1 729 " (cutoff:3.500A) removed outlier: 5.192A pdb=" N LYS 1 736 " --> pdb=" O LEU 1 732 " (cutoff:3.500A) Processing helix chain '1' and resid 739 through 757 removed outlier: 4.020A pdb=" N ARG 1 743 " --> pdb=" O ASN 1 739 " (cutoff:3.500A) removed outlier: 3.923A pdb=" N GLY 1 751 " --> pdb=" O ASN 1 747 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N PHE 1 752 " --> pdb=" O ALA 1 748 " (cutoff:3.500A) Processing helix chain '1' and resid 758 through 771 removed outlier: 3.875A pdb=" N VAL 1 762 " --> pdb=" O GLY 1 758 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N VAL 1 764 " --> pdb=" O HIS 1 760 " (cutoff:3.500A) removed outlier: 4.048A pdb=" N ALA 1 765 " --> pdb=" O ASP 1 761 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N ASN 1 769 " --> pdb=" O ALA 1 765 " (cutoff:3.500A) removed outlier: 4.553A pdb=" N LYS 1 771 " --> pdb=" O LEU 1 767 " (cutoff:3.500A) Processing helix chain '1' and resid 774 through 793 removed outlier: 3.605A pdb=" N ARG 1 778 " --> pdb=" O GLU 1 774 " (cutoff:3.500A) Processing helix chain '1' and resid 794 through 807 Proline residue: 1 799 - end of helix removed outlier: 4.002A pdb=" N THR 1 806 " --> pdb=" O MET 1 802 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N THR 1 807 " --> pdb=" O ASN 1 803 " (cutoff:3.500A) Processing helix chain '1' and resid 809 through 828 removed outlier: 3.668A pdb=" N ILE 1 827 " --> pdb=" O MET 1 823 " (cutoff:3.500A) removed outlier: 4.606A pdb=" N GLY 1 828 " --> pdb=" O PHE 1 824 " (cutoff:3.500A) Processing helix chain '1' and resid 831 through 846 removed outlier: 4.141A pdb=" N ILE 1 835 " --> pdb=" O SER 1 831 " (cutoff:3.500A) removed outlier: 5.726A pdb=" N TYR 1 836 " --> pdb=" O LYS 1 832 " (cutoff:3.500A) removed outlier: 5.657A pdb=" N PHE 1 837 " --> pdb=" O ASP 1 833 " (cutoff:3.500A) removed outlier: 4.026A pdb=" N ILE 1 838 " --> pdb=" O TYR 1 834 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N THR 1 839 " --> pdb=" O ILE 1 835 " (cutoff:3.500A) Proline residue: 1 840 - end of helix removed outlier: 3.637A pdb=" N ASP 1 844 " --> pdb=" O PRO 1 840 " (cutoff:3.500A) Processing helix chain '1' and resid 850 through 869 removed outlier: 4.044A pdb=" N ARG 1 854 " --> pdb=" O ASP 1 850 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N SER 1 858 " --> pdb=" O ARG 1 854 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N ASN 1 867 " --> pdb=" O HIS 1 863 " (cutoff:3.500A) Processing helix chain '1' and resid 873 through 885 removed outlier: 6.024A pdb=" N PHE 1 877 " --> pdb=" O HIS 1 873 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE 1 878 " --> pdb=" O GLU 1 874 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N HIS 1 879 " --> pdb=" O ASP 1 875 " (cutoff:3.500A) Processing helix chain '1' and resid 892 through 911 removed outlier: 3.720A pdb=" N GLN 1 908 " --> pdb=" O GLU 1 904 " (cutoff:3.500A) Processing helix chain '1' and resid 912 through 925 removed outlier: 4.832A pdb=" N TYR 1 918 " --> pdb=" O LEU 1 914 " (cutoff:3.500A) removed outlier: 4.140A pdb=" N ILE 1 919 " --> pdb=" O PHE 1 915 " (cutoff:3.500A) removed outlier: 5.221A pdb=" N ALA 1 921 " --> pdb=" O ASN 1 917 " (cutoff:3.500A) removed outlier: 5.064A pdb=" N GLY 1 922 " --> pdb=" O TYR 1 918 " (cutoff:3.500A) removed outlier: 4.568A pdb=" N PHE 1 924 " --> pdb=" O TRP 1 920 " (cutoff:3.500A) removed outlier: 4.517A pdb=" N HIS 1 925 " --> pdb=" O ALA 1 921 " (cutoff:3.500A) Processing helix chain '1' and resid 927 through 945 removed outlier: 5.405A pdb=" N ARG 1 931 " --> pdb=" O ALA 1 927 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LYS 1 932 " --> pdb=" O LYS 1 928 " (cutoff:3.500A) removed outlier: 4.081A pdb=" N ARG 1 936 " --> pdb=" O LYS 1 932 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N VAL 1 937 " --> pdb=" O ALA 1 933 " (cutoff:3.500A) Processing helix chain '1' and resid 946 through 951 removed outlier: 3.945A pdb=" N VAL 1 950 " --> pdb=" O GLN 1 946 " (cutoff:3.500A) Proline residue: 1 951 - end of helix No H-bonds generated for 'chain '1' and resid 946 through 951' Processing helix chain '1' and resid 956 through 961 removed outlier: 4.913A pdb=" N GLU 1 961 " --> pdb=" O PRO 1 957 " (cutoff:3.500A) Processing helix chain '1' and resid 964 through 970 removed outlier: 4.473A pdb=" N ASP 1 968 " --> pdb=" O ILE 1 964 " (cutoff:3.500A) removed outlier: 4.267A pdb=" N LEU 1 969 " --> pdb=" O GLU 1 965 " (cutoff:3.500A) removed outlier: 6.104A pdb=" N VAL 1 970 " --> pdb=" O GLU 1 966 " (cutoff:3.500A) No H-bonds generated for 'chain '1' and resid 964 through 970' Processing helix chain '2' and resid 133 through 142 removed outlier: 4.128A pdb=" N GLN 2 140 " --> pdb=" O GLN 2 136 " (cutoff:3.500A) removed outlier: 4.059A pdb=" N VAL 2 141 " --> pdb=" O LEU 2 137 " (cutoff:3.500A) Proline residue: 2 142 - end of helix Processing helix chain '2' and resid 148 through 154 removed outlier: 3.606A pdb=" N CYS 2 152 " --> pdb=" O GLU 2 148 " (cutoff:3.500A) removed outlier: 4.441A pdb=" N ASP 2 153 " --> pdb=" O TRP 2 149 " (cutoff:3.500A) removed outlier: 3.845A pdb=" N ALA 2 154 " --> pdb=" O TYR 2 150 " (cutoff:3.500A) No H-bonds generated for 'chain '2' and resid 148 through 154' Processing helix chain '2' and resid 156 through 166 removed outlier: 3.609A pdb=" N CYS 2 165 " --> pdb=" O ALA 2 161 " (cutoff:3.500A) Processing helix chain '2' and resid 184 through 189 removed outlier: 3.931A pdb=" N LEU 2 188 " --> pdb=" O SER 2 184 " (cutoff:3.500A) Processing helix chain '2' and resid 197 through 204 removed outlier: 3.829A pdb=" N THR 2 203 " --> pdb=" O ILE 2 199 " (cutoff:3.500A) removed outlier: 4.217A pdb=" N ASN 2 204 " --> pdb=" O ILE 2 200 " (cutoff:3.500A) Processing helix chain '2' and resid 205 through 210 removed outlier: 4.557A pdb=" N SER 2 210 " --> pdb=" O GLU 2 206 " (cutoff:3.500A) Processing helix chain '2' and resid 243 through 252 Processing helix chain '2' and resid 275 through 289 removed outlier: 3.908A pdb=" N GLU 2 279 " --> pdb=" O ASN 2 275 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ASN 2 281 " --> pdb=" O PHE 2 277 " (cutoff:3.500A) Processing helix chain '2' and resid 295 through 303 Processing helix chain '2' and resid 312 through 320 Processing helix chain '3' and resid 1144 through 1154 removed outlier: 3.815A pdb=" N ILE 31150 " --> pdb=" O GLU 31146 " (cutoff:3.500A) Processing helix chain '3' and resid 1155 through 1161 removed outlier: 3.980A pdb=" N LEU 31159 " --> pdb=" O ASP 31155 " (cutoff:3.500A) removed outlier: 4.040A pdb=" N SER 31160 " --> pdb=" O PRO 31156 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N ASN 31161 " --> pdb=" O SER 31157 " (cutoff:3.500A) No H-bonds generated for 'chain '3' and resid 1155 through 1161' Processing helix chain '3' and resid 1167 through 1177 removed outlier: 3.597A pdb=" N ILE 31171 " --> pdb=" O PRO 31167 " (cutoff:3.500A) Processing helix chain '3' and resid 1233 through 1250 removed outlier: 4.493A pdb=" N VAL 31237 " --> pdb=" O SER 31233 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N PHE 31238 " --> pdb=" O LYS 31234 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N GLU 31249 " --> pdb=" O ASN 31245 " (cutoff:3.500A) Processing helix chain '3' and resid 1251 through 1265 removed outlier: 3.609A pdb=" N TYR 31255 " --> pdb=" O ASP 31251 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N ASN 31265 " --> pdb=" O ARG 31261 " (cutoff:3.500A) Processing helix chain '3' and resid 1303 through 1310 Processing helix chain '3' and resid 1319 through 1330 removed outlier: 3.828A pdb=" N CYS 31323 " --> pdb=" O ASP 31319 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N ASN 31325 " --> pdb=" O ASP 31321 " (cutoff:3.500A) removed outlier: 4.051A pdb=" N PHE 31326 " --> pdb=" O LEU 31322 " (cutoff:3.500A) removed outlier: 4.551A pdb=" N LEU 31327 " --> pdb=" O CYS 31323 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N ARG 31328 " --> pdb=" O GLU 31324 " (cutoff:3.500A) removed outlier: 6.046A pdb=" N SER 31330 " --> pdb=" O PHE 31326 " (cutoff:3.500A) Processing helix chain '3' and resid 1331 through 1340 removed outlier: 3.782A pdb=" N LYS 31339 " --> pdb=" O GLU 31335 " (cutoff:3.500A) removed outlier: 4.760A pdb=" N ASN 31340 " --> pdb=" O PHE 31336 " (cutoff:3.500A) Processing helix chain '3' and resid 1345 through 1359 removed outlier: 4.249A pdb=" N VAL 31356 " --> pdb=" O THR 31352 " (cutoff:3.500A) removed outlier: 4.731A pdb=" N ARG 31357 " --> pdb=" O ILE 31353 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N THR 31358 " --> pdb=" O ASN 31354 " (cutoff:3.500A) Processing helix chain '4' and resid 21 through 33 removed outlier: 4.053A pdb=" N GLN 4 31 " --> pdb=" O GLU 4 27 " (cutoff:3.500A) removed outlier: 4.268A pdb=" N ILE 4 32 " --> pdb=" O LEU 4 28 " (cutoff:3.500A) Processing helix chain '4' and resid 59 through 70 removed outlier: 3.698A pdb=" N ALA 4 63 " --> pdb=" O ASN 4 59 " (cutoff:3.500A) Processing helix chain '4' and resid 120 through 132 removed outlier: 4.405A pdb=" N LYS 4 130 " --> pdb=" O LYS 4 126 " (cutoff:3.500A) removed outlier: 4.438A pdb=" N PHE 4 131 " --> pdb=" O ILE 4 127 " (cutoff:3.500A) Processing helix chain '4' and resid 157 through 168 Processing helix chain '4' and resid 191 through 203 Processing helix chain '5' and resid 46 through 51 removed outlier: 3.549A pdb=" N PHE 5 51 " --> pdb=" O GLU 5 47 " (cutoff:3.500A) Processing helix chain '5' and resid 52 through 58 removed outlier: 4.280A pdb=" N LYS 5 56 " --> pdb=" O GLY 5 52 " (cutoff:3.500A) removed outlier: 3.689A pdb=" N ASN 5 57 " --> pdb=" O LYS 5 53 " (cutoff:3.500A) removed outlier: 5.733A pdb=" N CYS 5 58 " --> pdb=" O GLN 5 54 " (cutoff:3.500A) No H-bonds generated for 'chain '5' and resid 52 through 58' Processing helix chain '5' and resid 73 through 80 Processing helix chain '5' and resid 93 through 104 removed outlier: 3.780A pdb=" N LEU 5 97 " --> pdb=" O GLY 5 93 " (cutoff:3.500A) Processing helix chain '6' and resid 1 through 19 removed outlier: 3.716A pdb=" N LYS 6 9 " --> pdb=" O GLN 6 5 " (cutoff:3.500A) Processing helix chain '6' and resid 27 through 46 removed outlier: 3.607A pdb=" N ASN 6 34 " --> pdb=" O GLN 6 30 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N HIS 6 46 " --> pdb=" O THR 6 42 " (cutoff:3.500A) Processing helix chain '6' and resid 47 through 58 Processing helix chain '6' and resid 61 through 74 removed outlier: 3.538A pdb=" N THR 6 65 " --> pdb=" O SER 6 61 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N MET 6 73 " --> pdb=" O LEU 6 69 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N SER 6 74 " --> pdb=" O LEU 6 70 " (cutoff:3.500A) Processing helix chain '6' and resid 76 through 84 removed outlier: 3.929A pdb=" N GLU 6 84 " --> pdb=" O TYR 6 80 " (cutoff:3.500A) Processing helix chain 'X' and resid 2 through 15 removed outlier: 3.514A pdb=" N GLN X 6 " --> pdb=" O ASN X 2 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N ILE X 7 " --> pdb=" O LYS X 3 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ASP X 9 " --> pdb=" O GLN X 5 " (cutoff:3.500A) removed outlier: 3.614A pdb=" N LYS X 10 " --> pdb=" O GLN X 6 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N GLY X 15 " --> pdb=" O GLU X 11 " (cutoff:3.500A) Processing helix chain 'X' and resid 22 through 28 removed outlier: 4.450A pdb=" N GLU X 26 " --> pdb=" O SER X 22 " (cutoff:3.500A) removed outlier: 4.816A pdb=" N TYR X 27 " --> pdb=" O TRP X 23 " (cutoff:3.500A) removed outlier: 4.252A pdb=" N LYS X 28 " --> pdb=" O HIS X 24 " (cutoff:3.500A) No H-bonds generated for 'chain 'X' and resid 22 through 28' Processing helix chain 'X' and resid 43 through 52 removed outlier: 3.537A pdb=" N VAL X 50 " --> pdb=" O ASP X 46 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N PHE X 51 " --> pdb=" O ILE X 47 " (cutoff:3.500A) removed outlier: 5.209A pdb=" N SER X 52 " --> pdb=" O LEU X 48 " (cutoff:3.500A) Processing helix chain 'X' and resid 81 through 91 removed outlier: 4.562A pdb=" N THR X 85 " --> pdb=" O ASP X 81 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N ILE X 86 " --> pdb=" O GLN X 82 " (cutoff:3.500A) Processing helix chain 'X' and resid 112 through 128 removed outlier: 3.912A pdb=" N GLN X 116 " --> pdb=" O LYS X 112 " (cutoff:3.500A) removed outlier: 5.156A pdb=" N LYS X 117 " --> pdb=" O ARG X 113 " (cutoff:3.500A) removed outlier: 5.974A pdb=" N TYR X 118 " --> pdb=" O SER X 114 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N GLU X 120 " --> pdb=" O GLN X 116 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N GLU X 125 " --> pdb=" O ALA X 121 " (cutoff:3.500A) Processing helix chain 'Y' and resid 145 through 165 removed outlier: 5.756A pdb=" N GLY Y 165 " --> pdb=" O ASN Y 161 " (cutoff:3.500A) Processing helix chain 'Y' and resid 166 through 171 Processing helix chain 'Y' and resid 240 through 262 removed outlier: 3.577A pdb=" N LYS Y 244 " --> pdb=" O GLY Y 240 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N PHE Y 246 " --> pdb=" O GLU Y 242 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N LYS Y 256 " --> pdb=" O ILE Y 252 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N VAL Y 257 " --> pdb=" O ASN Y 253 " (cutoff:3.500A) removed outlier: 4.282A pdb=" N TYR Y 260 " --> pdb=" O LYS Y 256 " (cutoff:3.500A) Processing helix chain 'Z' and resid 35 through 43 removed outlier: 4.113A pdb=" N GLU Z 39 " --> pdb=" O SER Z 35 " (cutoff:3.500A) removed outlier: 4.142A pdb=" N SER Z 42 " --> pdb=" O LEU Z 38 " (cutoff:3.500A) Processing helix chain 'u' and resid 2 through 29 removed outlier: 3.628A pdb=" N THR u 6 " --> pdb=" O ASN u 2 " (cutoff:3.500A) Proline residue: u 29 - end of helix Processing helix chain 'u' and resid 30 through 43 removed outlier: 3.697A pdb=" N TYR u 35 " --> pdb=" O LEU u 31 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N LYS u 41 " --> pdb=" O GLN u 37 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N VAL u 42 " --> pdb=" O GLU u 38 " (cutoff:3.500A) Processing helix chain 'u' and resid 50 through 57 Processing helix chain 'u' and resid 68 through 97 Processing helix chain 'u' and resid 112 through 125 removed outlier: 3.555A pdb=" N GLU u 122 " --> pdb=" O GLN u 118 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N LYS u 124 " --> pdb=" O GLU u 120 " (cutoff:3.500A) removed outlier: 4.411A pdb=" N ASN u 125 " --> pdb=" O LYS u 121 " (cutoff:3.500A) Processing helix chain 'u' and resid 136 through 145 removed outlier: 3.619A pdb=" N LYS u 140 " --> pdb=" O SER u 136 " (cutoff:3.500A) Processing helix chain 'u' and resid 165 through 170 removed outlier: 4.275A pdb=" N ILE u 169 " --> pdb=" O ASP u 165 " (cutoff:3.500A) Processing helix chain 'u' and resid 182 through 194 Processing helix chain 'u' and resid 199 through 213 removed outlier: 3.995A pdb=" N LEU u 209 " --> pdb=" O ASP u 205 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N PHE u 210 " --> pdb=" O ILE u 206 " (cutoff:3.500A) removed outlier: 4.145A pdb=" N LEU u 211 " --> pdb=" O LEU u 207 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N ASP u 212 " --> pdb=" O GLU u 208 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N ASP u 213 " --> pdb=" O LEU u 209 " (cutoff:3.500A) Processing helix chain 'u' and resid 214 through 219 Processing helix chain 'u' and resid 226 through 249 removed outlier: 3.590A pdb=" N ALA u 249 " --> pdb=" O PHE u 245 " (cutoff:3.500A) Processing helix chain 'u' and resid 252 through 267 Processing helix chain 'u' and resid 291 through 302 removed outlier: 4.026A pdb=" N VAL u 300 " --> pdb=" O GLU u 296 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N GLY u 301 " --> pdb=" O SER u 297 " (cutoff:3.500A) removed outlier: 5.891A pdb=" N LYS u 302 " --> pdb=" O HIS u 298 " (cutoff:3.500A) Processing helix chain 'u' and resid 303 through 311 Processing helix chain 'u' and resid 312 through 329 Processing helix chain 'u' and resid 330 through 346 removed outlier: 5.459A pdb=" N THR u 346 " --> pdb=" O LYS u 342 " (cutoff:3.500A) Processing helix chain 'u' and resid 347 through 363 Processing helix chain 'u' and resid 408 through 416 removed outlier: 3.695A pdb=" N TYR u 412 " --> pdb=" O PRO u 408 " (cutoff:3.500A) removed outlier: 3.955A pdb=" N LYS u 413 " --> pdb=" O TYR u 409 " (cutoff:3.500A) Processing helix chain 'u' and resid 433 through 443 removed outlier: 3.637A pdb=" N PHE u 441 " --> pdb=" O PHE u 437 " (cutoff:3.500A) removed outlier: 4.652A pdb=" N ASN u 442 " --> pdb=" O GLU u 438 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N GLU u 443 " --> pdb=" O ARG u 439 " (cutoff:3.500A) Processing helix chain 'u' and resid 444 through 454 Processing helix chain 'u' and resid 458 through 463 removed outlier: 3.901A pdb=" N LYS u 462 " --> pdb=" O SER u 458 " (cutoff:3.500A) removed outlier: 5.237A pdb=" N GLY u 463 " --> pdb=" O SER u 459 " (cutoff:3.500A) No H-bonds generated for 'chain 'u' and resid 458 through 463' Processing helix chain 'u' and resid 466 through 478 removed outlier: 3.692A pdb=" N ALA u 470 " --> pdb=" O LYS u 466 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N GLN u 471 " --> pdb=" O ILE u 467 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N GLU u 472 " --> pdb=" O LYS u 468 " (cutoff:3.500A) Processing helix chain 'u' and resid 512 through 517 removed outlier: 4.942A pdb=" N MET u 516 " --> pdb=" O GLU u 512 " (cutoff:3.500A) removed outlier: 5.316A pdb=" N SER u 517 " --> pdb=" O GLY u 513 " (cutoff:3.500A) No H-bonds generated for 'chain 'u' and resid 512 through 517' Processing helix chain 'u' and resid 518 through 528 Processing helix chain 'w' and resid 89 through 106 removed outlier: 3.826A pdb=" N LYS w 105 " --> pdb=" O ARG w 101 " (cutoff:3.500A) Processing helix chain 'w' and resid 107 through 117 removed outlier: 4.144A pdb=" N GLU w 111 " --> pdb=" O LYS w 107 " (cutoff:3.500A) removed outlier: 4.099A pdb=" N SER w 115 " --> pdb=" O GLU w 111 " (cutoff:3.500A) Processing helix chain 'w' and resid 129 through 149 removed outlier: 4.428A pdb=" N LYS w 133 " --> pdb=" O HIS w 129 " (cutoff:3.500A) removed outlier: 4.416A pdb=" N THR w 134 " --> pdb=" O PRO w 130 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N SER w 147 " --> pdb=" O LYS w 143 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N PHE w 148 " --> pdb=" O ARG w 144 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N THR w 149 " --> pdb=" O VAL w 145 " (cutoff:3.500A) Processing helix chain 'w' and resid 156 through 195 Processing helix chain 'w' and resid 220 through 226 removed outlier: 3.560A pdb=" N MET w 224 " --> pdb=" O ASP w 220 " (cutoff:3.500A) removed outlier: 4.153A pdb=" N LEU w 226 " --> pdb=" O GLU w 222 " (cutoff:3.500A) Processing helix chain 'w' and resid 122 through 127 removed outlier: 3.875A pdb=" N ASN w 126 " --> pdb=" O ASN w 123 " (cutoff:3.500A) removed outlier: 5.068A pdb=" N SER w 127 " --> pdb=" O PHE w 124 " (cutoff:3.500A) Processing helix chain 'v' and resid 77 through 87 Processing helix chain 'v' and resid 88 through 105 removed outlier: 4.528A pdb=" N SER v 104 " --> pdb=" O SER v 100 " (cutoff:3.500A) removed outlier: 4.831A pdb=" N SER v 105 " --> pdb=" O ILE v 101 " (cutoff:3.500A) Processing helix chain 'v' and resid 164 through 169 removed outlier: 4.743A pdb=" N VAL v 168 " --> pdb=" O LYS v 164 " (cutoff:3.500A) removed outlier: 5.068A pdb=" N ASP v 169 " --> pdb=" O GLU v 165 " (cutoff:3.500A) No H-bonds generated for 'chain 'v' and resid 164 through 169' Processing helix chain 'v' and resid 234 through 240 Processing sheet with id= 1, first strand: chain 'A' and resid 299 through 302 removed outlier: 8.211A pdb=" N LYS A 299 " --> pdb=" O MET A 493 " (cutoff:3.500A) removed outlier: 6.467A pdb=" N MET A 493 " --> pdb=" O LYS A 299 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 967 through 973 Processing sheet with id= 3, first strand: chain 'A' and resid 1159 through 1163 removed outlier: 3.867A pdb=" N LEU A1160 " --> pdb=" O LEU A1171 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'A' and resid 1257 through 1261 removed outlier: 3.820A pdb=" N ALA A1298 " --> pdb=" O LEU A1288 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'A' and resid 1624 through 1627 removed outlier: 5.194A pdb=" N ILE A1632 " --> pdb=" O LEU A1627 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'A' and resid 1679 through 1683 removed outlier: 4.737A pdb=" N SER A1680 " --> pdb=" O GLU A1704 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'A' and resid 1708 through 1712 removed outlier: 3.875A pdb=" N LEU A1727 " --> pdb=" O VAL A1711 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'A' and resid 1714 through 1717 removed outlier: 7.723A pdb=" N ALA A1786 " --> pdb=" O LEU A1717 " (cutoff:3.500A) removed outlier: 5.843A pdb=" N GLY A1772 " --> pdb=" O ASN A1789 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N TRP A1733 " --> pdb=" O THR A1771 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'A' and resid 1954 through 1959 removed outlier: 3.575A pdb=" N THR A1959 " --> pdb=" O VAL A1935 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N GLN A1932 " --> pdb=" O ILE A1848 " (cutoff:3.500A) removed outlier: 3.930A pdb=" N THR A1936 " --> pdb=" O VAL A1852 " (cutoff:3.500A) removed outlier: 8.440A pdb=" N ASP A1854 " --> pdb=" O THR A1936 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N PHE A1880 " --> pdb=" O ASP A1853 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N HIS A1888 " --> pdb=" O ASN A1883 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N PHE A1989 " --> pdb=" O LEU A1889 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N LEU A1891 " --> pdb=" O VAL A1987 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N GLN A1985 " --> pdb=" O ILE A1893 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'A' and resid 2217 through 2221 removed outlier: 9.509A pdb=" N ASN A2181 " --> pdb=" O HIS A2336 " (cutoff:3.500A) removed outlier: 5.047A pdb=" N GLN A2338 " --> pdb=" O ASN A2181 " (cutoff:3.500A) removed outlier: 4.746A pdb=" N LEU A2307 " --> pdb=" O CYS A2288 " (cutoff:3.500A) removed outlier: 6.447A pdb=" N CYS A2288 " --> pdb=" O LEU A2307 " (cutoff:3.500A) removed outlier: 4.573A pdb=" N VAL A2203 " --> pdb=" O THR A2261 " (cutoff:3.500A) removed outlier: 9.933A pdb=" N GLN A2202 " --> pdb=" O GLN A2229 " (cutoff:3.500A) removed outlier: 8.594A pdb=" N GLN A2229 " --> pdb=" O GLN A2202 " (cutoff:3.500A) removed outlier: 7.087A pdb=" N ALA A2204 " --> pdb=" O VAL A2227 " (cutoff:3.500A) removed outlier: 4.987A pdb=" N VAL A2227 " --> pdb=" O ALA A2204 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'A' and resid 2223 through 2226 Processing sheet with id= 12, first strand: chain 'K' and resid 168 through 172 removed outlier: 3.679A pdb=" N GLY K 169 " --> pdb=" O LEU K 463 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N ILE K 461 " --> pdb=" O GLN K 171 " (cutoff:3.500A) removed outlier: 6.073A pdb=" N PHE K 451 " --> pdb=" O SER K 446 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'K' and resid 179 through 184 removed outlier: 5.843A pdb=" N VAL K 189 " --> pdb=" O SER K 184 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'K' and resid 223 through 227 removed outlier: 6.405A pdb=" N GLN K 233 " --> pdb=" O HIS K 227 " (cutoff:3.500A) removed outlier: 4.935A pdb=" N ASN K 232 " --> pdb=" O TYR K 248 " (cutoff:3.500A) removed outlier: 6.819A pdb=" N ASN K 245 " --> pdb=" O LEU K 258 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'K' and resid 269 through 274 removed outlier: 5.050A pdb=" N PHE K 279 " --> pdb=" O HIS K 274 " (cutoff:3.500A) removed outlier: 8.714A pdb=" N LYS K 278 " --> pdb=" O ALA K 294 " (cutoff:3.500A) removed outlier: 6.308A pdb=" N LEU K 291 " --> pdb=" O LEU K 300 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N GLN K 298 " --> pdb=" O ASP K 293 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'K' and resid 311 through 316 removed outlier: 3.635A pdb=" N GLN K 316 " --> pdb=" O LEU K 321 " (cutoff:3.500A) removed outlier: 5.729A pdb=" N LEU K 321 " --> pdb=" O GLN K 316 " (cutoff:3.500A) removed outlier: 7.098A pdb=" N LEU K 333 " --> pdb=" O VAL K 342 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'K' and resid 354 through 358 removed outlier: 3.609A pdb=" N SER K 358 " --> pdb=" O GLN K 363 " (cutoff:3.500A) removed outlier: 5.679A pdb=" N GLN K 363 " --> pdb=" O SER K 358 " (cutoff:3.500A) removed outlier: 8.592A pdb=" N TYR K 362 " --> pdb=" O ILE K 378 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'K' and resid 398 through 402 removed outlier: 3.616A pdb=" N SER K 402 " --> pdb=" O LYS K 409 " (cutoff:3.500A) removed outlier: 6.422A pdb=" N LYS K 409 " --> pdb=" O SER K 402 " (cutoff:3.500A) removed outlier: 7.415A pdb=" N LYS K 408 " --> pdb=" O SER K 424 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N ILE K 419 " --> pdb=" O LEU K 433 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N GLY K 431 " --> pdb=" O VAL K 421 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'K' and resid 288 through 291 Processing sheet with id= 20, first strand: chain 'K' and resid 330 through 333 removed outlier: 4.559A pdb=" N MET K 343 " --> pdb=" O LEU K 333 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'L' and resid 397 through 401 removed outlier: 4.001A pdb=" N GLN L 398 " --> pdb=" O LEU L 410 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'J' and resid 405 through 408 Processing sheet with id= 23, first strand: chain 'J' and resid 423 through 427 removed outlier: 6.766A pdb=" N SER J 423 " --> pdb=" O LYS J 345 " (cutoff:3.500A) removed outlier: 6.971A pdb=" N VAL J 341 " --> pdb=" O THR J 427 " (cutoff:3.500A) removed outlier: 6.659A pdb=" N GLY J 439 " --> pdb=" O LEU J 365 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N GLY J 367 " --> pdb=" O GLY J 439 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N PHE J 441 " --> pdb=" O GLY J 367 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N ARG J 371 " --> pdb=" O LYS J 443 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'J' and resid 337 through 341 removed outlier: 4.033A pdb=" N TYR J 337 " --> pdb=" O LEU J 432 " (cutoff:3.500A) removed outlier: 4.165A pdb=" N TRP J 428 " --> pdb=" O VAL J 341 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'E' and resid 56 through 62 Processing sheet with id= 26, first strand: chain 'E' and resid 92 through 95 removed outlier: 3.853A pdb=" N SER E 133 " --> pdb=" O ASP E 94 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'M' and resid 32 through 35 removed outlier: 6.918A pdb=" N GLN M 32 " --> pdb=" O THR M 103 " (cutoff:3.500A) removed outlier: 7.074A pdb=" N ILE M 98 " --> pdb=" O ALA M 55 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N PHE M 51 " --> pdb=" O ILE M 102 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'C' and resid 193 through 199 removed outlier: 6.385A pdb=" N MET C 209 " --> pdb=" O ARG C 132 " (cutoff:3.500A) removed outlier: 6.063A pdb=" N GLY C 140 " --> pdb=" O ALA C 215 " (cutoff:3.500A) removed outlier: 6.850A pdb=" N ASN C 310 " --> pdb=" O MET C 263 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'C' and resid 467 through 473 Processing sheet with id= 30, first strand: chain 'C' and resid 474 through 477 removed outlier: 3.699A pdb=" N LYS C 474 " --> pdb=" O LEU C 485 " (cutoff:3.500A) removed outlier: 4.319A pdb=" N GLN C 560 " --> pdb=" O ILE C 488 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'C' and resid 497 through 501 removed outlier: 3.902A pdb=" N ASP C 497 " --> pdb=" O VAL C 539 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'C' and resid 542 through 545 removed outlier: 4.186A pdb=" N ILE C 542 " --> pdb=" O VAL C 553 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'C' and resid 632 through 637 removed outlier: 5.351A pdb=" N GLU C 641 " --> pdb=" O GLU C 637 " (cutoff:3.500A) removed outlier: 6.765A pdb=" N LYS C 604 " --> pdb=" O PRO C 673 " (cutoff:3.500A) removed outlier: 5.519A pdb=" N VAL C 606 " --> pdb=" O SER C 671 " (cutoff:3.500A) removed outlier: 39.713A pdb=" N ILE C 668 " --> pdb=" O VAL C 868 " (cutoff:3.500A) removed outlier: 35.430A pdb=" N VAL C 868 " --> pdb=" O ILE C 668 " (cutoff:3.500A) removed outlier: 32.373A pdb=" N ILE C 670 " --> pdb=" O ILE C 866 " (cutoff:3.500A) removed outlier: 28.762A pdb=" N ILE C 866 " --> pdb=" O ILE C 670 " (cutoff:3.500A) removed outlier: 25.226A pdb=" N ASP C 672 " --> pdb=" O VAL C 864 " (cutoff:3.500A) removed outlier: 20.880A pdb=" N VAL C 864 " --> pdb=" O ASP C 672 " (cutoff:3.500A) removed outlier: 15.396A pdb=" N LEU C 674 " --> pdb=" O TYR C 862 " (cutoff:3.500A) removed outlier: 11.064A pdb=" N TYR C 862 " --> pdb=" O LEU C 674 " (cutoff:3.500A) removed outlier: 8.125A pdb=" N VAL C 676 " --> pdb=" O PRO C 860 " (cutoff:3.500A) removed outlier: 4.637A pdb=" N LEU C 899 " --> pdb=" O VAL C 894 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'C' and resid 773 through 777 removed outlier: 7.487A pdb=" N GLY C 815 " --> pdb=" O MET C 715 " (cutoff:3.500A) removed outlier: 6.257A pdb=" N SER C 709 " --> pdb=" O LEU C 821 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N GLY C 705 " --> pdb=" O PRO C 826 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'C' and resid 862 through 868 Processing sheet with id= 36, first strand: chain 'C' and resid 857 through 860 No H-bonds generated for sheet with id= 36 Processing sheet with id= 37, first strand: chain 'z' and resid 41 through 44 removed outlier: 7.717A pdb=" N CYS z 22 " --> pdb=" O ARG z 44 " (cutoff:3.500A) removed outlier: 4.272A pdb=" N GLU z 21 " --> pdb=" O LYS z 17 " (cutoff:3.500A) removed outlier: 5.351A pdb=" N ARG z 12 " --> pdb=" O ILE z 67 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'q' and resid 23 through 27 removed outlier: 3.697A pdb=" N ILE q 23 " --> pdb=" O LEU q 19 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'r' and resid 56 through 63 removed outlier: 3.714A pdb=" N ARG r 24 " --> pdb=" O LEU r 20 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'x' and resid 46 through 49 Processing sheet with id= 41, first strand: chain 'x' and resid 52 through 56 removed outlier: 4.540A pdb=" N LEU x 32 " --> pdb=" O LEU x 28 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 't' and resid 43 through 46 Processing sheet with id= 43, first strand: chain 't' and resid 61 through 64 removed outlier: 3.637A pdb=" N GLU t 62 " --> pdb=" O LEU t 52 " (cutoff:3.500A) removed outlier: 6.729A pdb=" N GLU t 50 " --> pdb=" O VAL t 64 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N ILE t 53 " --> pdb=" O ASN t 27 " (cutoff:3.500A) removed outlier: 5.903A pdb=" N ASN t 27 " --> pdb=" O ILE t 53 " (cutoff:3.500A) removed outlier: 5.913A pdb=" N ARG t 28 " --> pdb=" O LEU t 24 " (cutoff:3.500A) removed outlier: 4.536A pdb=" N GLN t 18 " --> pdb=" O LEU t 34 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'y' and resid 85 through 89 removed outlier: 6.497A pdb=" N ASN y 85 " --> pdb=" O MET y 70 " (cutoff:3.500A) removed outlier: 4.149A pdb=" N MET y 70 " --> pdb=" O ASN y 85 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N THR y 66 " --> pdb=" O LEU y 89 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N LYS y 46 " --> pdb=" O LEU y 42 " (cutoff:3.500A) removed outlier: 6.187A pdb=" N LYS y 37 " --> pdb=" O ALA y 105 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 's' and resid 63 through 66 removed outlier: 4.616A pdb=" N GLU s 23 " --> pdb=" O LEU s 19 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N PHE s 78 " --> pdb=" O GLU s 18 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'd' and resid 42 through 45 removed outlier: 4.381A pdb=" N VAL d 42 " --> pdb=" O VAL d 64 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'd' and resid 55 through 60 removed outlier: 4.962A pdb=" N ALA d 55 " --> pdb=" O GLU d 51 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N GLU d 51 " --> pdb=" O ALA d 55 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N THR d 57 " --> pdb=" O ALA d 49 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N ALA d 49 " --> pdb=" O THR d 57 " (cutoff:3.500A) removed outlier: 5.860A pdb=" N ASP d 46 " --> pdb=" O LYS d 32 " (cutoff:3.500A) removed outlier: 5.422A pdb=" N LYS d 32 " --> pdb=" O ASP d 46 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ARG d 30 " --> pdb=" O ILE d 48 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'a' and resid 43 through 46 removed outlier: 3.541A pdb=" N LEU a 43 " --> pdb=" O LEU a 87 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'a' and resid 78 through 83 removed outlier: 4.589A pdb=" N GLU a 78 " --> pdb=" O ARG a 52 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N ARG a 52 " --> pdb=" O GLU a 78 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N ARG a 80 " --> pdb=" O GLU a 50 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N GLU a 50 " --> pdb=" O ARG a 80 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N CYS a 48 " --> pdb=" O LEU a 82 " (cutoff:3.500A) removed outlier: 6.076A pdb=" N GLU a 47 " --> pdb=" O GLN a 33 " (cutoff:3.500A) removed outlier: 5.507A pdb=" N GLN a 33 " --> pdb=" O GLU a 47 " (cutoff:3.500A) removed outlier: 4.241A pdb=" N VAL a 29 " --> pdb=" O GLU a 51 " (cutoff:3.500A) removed outlier: 4.706A pdb=" N TYR a 18 " --> pdb=" O LEU a 34 " (cutoff:3.500A) removed outlier: 6.982A pdb=" N LYS a 19 " --> pdb=" O GLU a 98 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'b' and resid 23 through 27 Processing sheet with id= 51, first strand: chain 'c' and resid 67 through 70 Processing sheet with id= 52, first strand: chain 'c' and resid 72 through 76 removed outlier: 4.679A pdb=" N HIS c 52 " --> pdb=" O LEU c 48 " (cutoff:3.500A) removed outlier: 4.383A pdb=" N LEU c 48 " --> pdb=" O HIS c 52 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'e' and resid 50 through 54 removed outlier: 6.317A pdb=" N MET e 50 " --> pdb=" O GLY e 84 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N GLY e 84 " --> pdb=" O MET e 50 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain 'e' and resid 57 through 60 removed outlier: 3.591A pdb=" N VAL e 58 " --> pdb=" O LYS e 40 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N THR e 28 " --> pdb=" O THR e 91 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N THR e 91 " --> pdb=" O THR e 28 " (cutoff:3.500A) removed outlier: 4.376A pdb=" N LEU e 89 " --> pdb=" O TRP e 30 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain 'f' and resid 50 through 53 removed outlier: 3.549A pdb=" N LEU f 51 " --> pdb=" O ILE f 73 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain 'f' and resid 56 through 59 removed outlier: 3.502A pdb=" N GLU f 57 " --> pdb=" O ARG f 39 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N ARG f 39 " --> pdb=" O GLU f 57 " (cutoff:3.500A) removed outlier: 4.965A pdb=" N THR f 36 " --> pdb=" O LEU f 31 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N LYS f 30 " --> pdb=" O TYR f 80 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N TYR f 80 " --> pdb=" O LYS f 30 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain 'g' and resid 53 through 57 removed outlier: 4.453A pdb=" N ASN g 53 " --> pdb=" O ASN g 47 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N ASN g 47 " --> pdb=" O ASN g 53 " (cutoff:3.500A) removed outlier: 4.015A pdb=" N HIS g 55 " --> pdb=" O GLU g 45 " (cutoff:3.500A) removed outlier: 6.049A pdb=" N ALA g 43 " --> pdb=" O LEU g 57 " (cutoff:3.500A) removed outlier: 4.456A pdb=" N LYS g 24 " --> pdb=" O ILE g 46 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N ARG g 23 " --> pdb=" O ILE g 19 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLY g 27 " --> pdb=" O ILE g 15 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N SER g 70 " --> pdb=" O ASN g 18 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'D' and resid 453 through 457 removed outlier: 3.506A pdb=" N PHE D 453 " --> pdb=" O HIS D 464 " (cutoff:3.500A) removed outlier: 4.945A pdb=" N ALA D 467 " --> pdb=" O LEU D 703 " (cutoff:3.500A) removed outlier: 6.701A pdb=" N LEU D 703 " --> pdb=" O ALA D 467 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'D' and resid 585 through 588 removed outlier: 4.832A pdb=" N GLY D 690 " --> pdb=" O ASN D 516 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'D' and resid 801 through 805 Processing sheet with id= 61, first strand: chain 'D' and resid 1201 through 1210 removed outlier: 6.207A pdb=" N LYS D1201 " --> pdb=" O ASP D1225 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N SER D1203 " --> pdb=" O ILE D1223 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain 'D' and resid 1253 through 1260 Processing sheet with id= 63, first strand: chain 'D' and resid 1365 through 1370 removed outlier: 6.237A pdb=" N SER D1512 " --> pdb=" O VAL D1368 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU D1470 " --> pdb=" O ARG D1394 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N ASN D1399 " --> pdb=" O ALA D1447 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain 'D' and resid 1544 through 1551 Processing sheet with id= 65, first strand: chain 'D' and resid 1685 through 1688 removed outlier: 8.169A pdb=" N THR D1685 " --> pdb=" O TYR D1698 " (cutoff:3.500A) Processing sheet with id= 66, first strand: chain 'D' and resid 1820 through 1824 Processing sheet with id= 67, first strand: chain 'D' and resid 2050 through 2057 removed outlier: 7.192A pdb=" N ASN D2050 " --> pdb=" O ASP D2078 " (cutoff:3.500A) removed outlier: 5.661A pdb=" N ASP D2078 " --> pdb=" O ASN D2050 " (cutoff:3.500A) removed outlier: 6.350A pdb=" N GLU D2122 " --> pdb=" O ARG D2077 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'D' and resid 2113 through 2118 removed outlier: 6.828A pdb=" N SER D2098 " --> pdb=" O ASP D2147 " (cutoff:3.500A) Processing sheet with id= 69, first strand: chain 'P' and resid 78 through 82 removed outlier: 8.061A pdb=" N GLU P 78 " --> pdb=" O ARG P 52 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N ARG P 52 " --> pdb=" O GLU P 78 " (cutoff:3.500A) removed outlier: 6.240A pdb=" N CYS P 48 " --> pdb=" O LEU P 82 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N ARG P 28 " --> pdb=" O THR P 24 " (cutoff:3.500A) removed outlier: 6.838A pdb=" N LYS P 19 " --> pdb=" O GLU P 98 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N SER P 94 " --> pdb=" O LEU P 23 " (cutoff:3.500A) Processing sheet with id= 70, first strand: chain 'Q' and resid 79 through 82 removed outlier: 4.047A pdb=" N THR Q 23 " --> pdb=" O LEU Q 19 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain 'R' and resid 84 through 91 removed outlier: 4.393A pdb=" N HIS R 52 " --> pdb=" O LEU R 48 " (cutoff:3.500A) Processing sheet with id= 72, first strand: chain 'S' and resid 40 through 45 removed outlier: 6.275A pdb=" N MET S 40 " --> pdb=" O GLY S 66 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N GLY S 66 " --> pdb=" O MET S 40 " (cutoff:3.500A) Processing sheet with id= 73, first strand: chain 'S' and resid 55 through 60 removed outlier: 4.329A pdb=" N ALA S 55 " --> pdb=" O GLU S 51 " (cutoff:3.500A) removed outlier: 5.608A pdb=" N ASP S 46 " --> pdb=" O LYS S 32 " (cutoff:3.500A) removed outlier: 4.862A pdb=" N LYS S 32 " --> pdb=" O ASP S 46 " (cutoff:3.500A) removed outlier: 4.447A pdb=" N HIS S 17 " --> pdb=" O LEU S 33 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'T' and resid 74 through 77 removed outlier: 5.879A pdb=" N ALA T 57 " --> pdb=" O LEU T 77 " (cutoff:3.500A) removed outlier: 8.404A pdb=" N GLY T 36 " --> pdb=" O VAL T 62 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain 'U' and resid 50 through 54 Processing sheet with id= 76, first strand: chain 'U' and resid 66 through 69 removed outlier: 3.719A pdb=" N GLY U 66 " --> pdb=" O GLU U 58 " (cutoff:3.500A) removed outlier: 5.662A pdb=" N ALA U 56 " --> pdb=" O LEU U 68 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N GLU U 55 " --> pdb=" O THR U 41 " (cutoff:3.500A) removed outlier: 5.567A pdb=" N THR U 41 " --> pdb=" O GLU U 55 " (cutoff:3.500A) removed outlier: 5.915A pdb=" N THR U 36 " --> pdb=" O LEU U 31 " (cutoff:3.500A) removed outlier: 4.365A pdb=" N HIS U 25 " --> pdb=" O LEU U 42 " (cutoff:3.500A) removed outlier: 4.954A pdb=" N ARG U 26 " --> pdb=" O LEU U 84 " (cutoff:3.500A) Processing sheet with id= 77, first strand: chain 'V' and resid 52 through 55 removed outlier: 6.707A pdb=" N ALA V 43 " --> pdb=" O HIS V 55 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N LYS V 24 " --> pdb=" O ILE V 46 " (cutoff:3.500A) removed outlier: 7.254A pdb=" N LYS V 14 " --> pdb=" O LEU V 74 " (cutoff:3.500A) Processing sheet with id= 78, first strand: chain 'h' and resid 43 through 46 Processing sheet with id= 79, first strand: chain 'h' and resid 77 through 83 removed outlier: 6.283A pdb=" N CYS h 48 " --> pdb=" O LEU h 82 " (cutoff:3.500A) removed outlier: 4.972A pdb=" N GLU h 47 " --> pdb=" O GLN h 33 " (cutoff:3.500A) removed outlier: 4.421A pdb=" N GLN h 33 " --> pdb=" O GLU h 47 " (cutoff:3.500A) removed outlier: 4.638A pdb=" N TYR h 18 " --> pdb=" O LEU h 34 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N LYS h 19 " --> pdb=" O GLU h 98 " (cutoff:3.500A) Processing sheet with id= 80, first strand: chain 'i' and resid 27 through 30 removed outlier: 6.720A pdb=" N GLY i 36 " --> pdb=" O VAL i 62 " (cutoff:3.500A) Processing sheet with id= 81, first strand: chain 'j' and resid 56 through 59 removed outlier: 4.759A pdb=" N THR j 36 " --> pdb=" O LEU j 31 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N LEU j 31 " --> pdb=" O THR j 36 " (cutoff:3.500A) removed outlier: 3.593A pdb=" N VAL j 29 " --> pdb=" O TYR j 38 " (cutoff:3.500A) removed outlier: 4.003A pdb=" N TYR j 80 " --> pdb=" O LYS j 30 " (cutoff:3.500A) Processing sheet with id= 82, first strand: chain 'k' and resid 43 through 46 removed outlier: 4.790A pdb=" N MET k 44 " --> pdb=" O ALA k 26 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N ILE k 46 " --> pdb=" O LYS k 24 " (cutoff:3.500A) removed outlier: 5.732A pdb=" N LYS k 24 " --> pdb=" O ILE k 46 " (cutoff:3.500A) removed outlier: 7.296A pdb=" N LYS k 14 " --> pdb=" O LEU k 74 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain 'l' and resid 42 through 45 Processing sheet with id= 84, first strand: chain 'l' and resid 55 through 60 removed outlier: 4.600A pdb=" N ALA l 55 " --> pdb=" O GLU l 51 " (cutoff:3.500A) removed outlier: 5.771A pdb=" N ASP l 46 " --> pdb=" O LYS l 32 " (cutoff:3.500A) removed outlier: 5.567A pdb=" N LYS l 32 " --> pdb=" O ASP l 46 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N HIS l 17 " --> pdb=" O LEU l 33 " (cutoff:3.500A) Processing sheet with id= 85, first strand: chain 'm' and resid 79 through 82 removed outlier: 4.686A pdb=" N THR m 23 " --> pdb=" O LEU m 19 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain 'n' and resid 86 through 91 removed outlier: 3.578A pdb=" N ARG n 89 " --> pdb=" O GLU n 74 " (cutoff:3.500A) removed outlier: 4.210A pdb=" N HIS n 52 " --> pdb=" O LEU n 48 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N LEU n 48 " --> pdb=" O HIS n 52 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N VAL n 103 " --> pdb=" O SER n 47 " (cutoff:3.500A) Processing sheet with id= 87, first strand: chain 'o' and resid 12 through 15 removed outlier: 5.145A pdb=" N THR o 60 " --> pdb=" O THR o 38 " (cutoff:3.500A) removed outlier: 5.087A pdb=" N GLY o 82 " --> pdb=" O LEU o 59 " (cutoff:3.500A) removed outlier: 5.085A pdb=" N SER o 104 " --> pdb=" O LEU o 81 " (cutoff:3.500A) removed outlier: 5.392A pdb=" N ILE o 130 " --> pdb=" O LEU o 103 " (cutoff:3.500A) Processing sheet with id= 88, first strand: chain 'p' and resid 71 through 75 removed outlier: 3.983A pdb=" N GLU p 92 " --> pdb=" O LEU p 99 " (cutoff:3.500A) removed outlier: 7.103A pdb=" N VAL p 101 " --> pdb=" O ASN p 90 " (cutoff:3.500A) removed outlier: 7.039A pdb=" N ASN p 90 " --> pdb=" O VAL p 101 " (cutoff:3.500A) Processing sheet with id= 89, first strand: chain '2' and resid 327 through 331 removed outlier: 5.674A pdb=" N ASP 2 327 " --> pdb=" O ILE 2 349 " (cutoff:3.500A) removed outlier: 8.396A pdb=" N TYR 2 345 " --> pdb=" O ALA 2 331 " (cutoff:3.500A) Processing sheet with id= 90, first strand: chain '3' and resid 59 through 65 removed outlier: 5.192A pdb=" N TYR 3 59 " --> pdb=" O LEU 31231 " (cutoff:3.500A) removed outlier: 6.549A pdb=" N VAL 31225 " --> pdb=" O LEU 3 65 " (cutoff:3.500A) removed outlier: 5.944A pdb=" N LEU 31221 " --> pdb=" O GLN 31222 " (cutoff:3.500A) removed outlier: 6.447A pdb=" N THR 31224 " --> pdb=" O MET 31219 " (cutoff:3.500A) removed outlier: 4.456A pdb=" N MET 31219 " --> pdb=" O THR 31224 " (cutoff:3.500A) removed outlier: 6.115A pdb=" N GLY 31226 " --> pdb=" O ILE 31217 " (cutoff:3.500A) removed outlier: 4.160A pdb=" N ILE 31217 " --> pdb=" O GLY 31226 " (cutoff:3.500A) removed outlier: 6.772A pdb=" N PHE 31228 " --> pdb=" O GLY 31215 " (cutoff:3.500A) removed outlier: 4.986A pdb=" N GLY 31215 " --> pdb=" O PHE 31228 " (cutoff:3.500A) Processing sheet with id= 91, first strand: chain '3' and resid 73 through 76 removed outlier: 6.761A pdb=" N SER 3 91 " --> pdb=" O THR 3 106 " (cutoff:3.500A) removed outlier: 4.308A pdb=" N THR 3 106 " --> pdb=" O SER 3 91 " (cutoff:3.500A) removed outlier: 6.918A pdb=" N LEU 3 103 " --> pdb=" O ILE 3 114 " (cutoff:3.500A) Processing sheet with id= 92, first strand: chain '3' and resid 126 through 129 removed outlier: 6.823A pdb=" N ILE 3 159 " --> pdb=" O LEU 3 174 " (cutoff:3.500A) Processing sheet with id= 93, first strand: chain '3' and resid 192 through 196 removed outlier: 3.939A pdb=" N TYR 3 192 " --> pdb=" O SER 3 205 " (cutoff:3.500A) removed outlier: 5.481A pdb=" N CYS 3 201 " --> pdb=" O ASP 3 196 " (cutoff:3.500A) removed outlier: 5.275A pdb=" N ARG 3 200 " --> pdb=" O VAL 3 216 " (cutoff:3.500A) Processing sheet with id= 94, first strand: chain '3' and resid 239 through 243 removed outlier: 5.085A pdb=" N ASP 3 239 " --> pdb=" O LEU 3 255 " (cutoff:3.500A) removed outlier: 3.811A pdb=" N LEU 3 255 " --> pdb=" O ASP 3 239 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N ALA 3 241 " --> pdb=" O VAL 3 253 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N VAL 3 253 " --> pdb=" O ALA 3 241 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N CYS 3 251 " --> pdb=" O VAL 3 243 " (cutoff:3.500A) Processing sheet with id= 95, first strand: chain '3' and resid 294 through 298 removed outlier: 4.465A pdb=" N PHE 3 326 " --> pdb=" O LEU 3 298 " (cutoff:3.500A) removed outlier: 6.061A pdb=" N PHE 3 344 " --> pdb=" O ASP 3 339 " (cutoff:3.500A) Processing sheet with id= 96, first strand: chain '3' and resid 367 through 370 removed outlier: 3.777A pdb=" N SER 3 367 " --> pdb=" O GLN 3 382 " (cutoff:3.500A) removed outlier: 6.364A pdb=" N GLN 3 382 " --> pdb=" O SER 3 367 " (cutoff:3.500A) removed outlier: 4.602A pdb=" N ASP 3 387 " --> pdb=" O SER 3 383 " (cutoff:3.500A) Processing sheet with id= 97, first strand: chain '3' and resid 405 through 408 removed outlier: 6.364A pdb=" N VAL 3 405 " --> pdb=" O SER 3 457 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain '3' and resid 417 through 422 removed outlier: 4.997A pdb=" N TYR 3 426 " --> pdb=" O PHE 3 422 " (cutoff:3.500A) Processing sheet with id= 99, first strand: chain '3' and resid 490 through 493 removed outlier: 3.985A pdb=" N LYS 3 509 " --> pdb=" O HIS 3 504 " (cutoff:3.500A) Processing sheet with id=100, first strand: chain '3' and resid 518 through 522 removed outlier: 6.211A pdb=" N ASN 3 518 " --> pdb=" O SER 3 877 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ILE 3 873 " --> pdb=" O ILE 3 523 " (cutoff:3.500A) removed outlier: 5.001A pdb=" N ILE 3 523 " --> pdb=" O ILE 3 873 " (cutoff:3.500A) Processing sheet with id=101, first strand: chain '3' and resid 533 through 538 removed outlier: 4.282A pdb=" N LYS 3 533 " --> pdb=" O THR 3 553 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N LYS 3 557 " --> pdb=" O PHE 3 554 " (cutoff:3.500A) Processing sheet with id=102, first strand: chain '3' and resid 590 through 593 removed outlier: 3.596A pdb=" N GLU 3 606 " --> pdb=" O CYS 3 603 " (cutoff:3.500A) removed outlier: 7.013A pdb=" N HIS 3 609 " --> pdb=" O LYS 3 621 " (cutoff:3.500A) Processing sheet with id=103, first strand: chain '3' and resid 634 through 637 removed outlier: 5.121A pdb=" N TYR 3 653 " --> pdb=" O LEU 3 666 " (cutoff:3.500A) removed outlier: 4.826A pdb=" N SER 3 662 " --> pdb=" O ASP 3 657 " (cutoff:3.500A) Processing sheet with id=104, first strand: chain '3' and resid 677 through 681 removed outlier: 4.269A pdb=" N LYS 3 678 " --> pdb=" O ALA 3 694 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N LEU 3 691 " --> pdb=" O MET 3 703 " (cutoff:3.500A) removed outlier: 4.030A pdb=" N MET 3 699 " --> pdb=" O ASP 3 695 " (cutoff:3.500A) removed outlier: 6.487A pdb=" N ILE 3 702 " --> pdb=" O VAL 3 715 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N VAL 3 715 " --> pdb=" O ILE 3 702 " (cutoff:3.500A) removed outlier: 5.963A pdb=" N SER 3 704 " --> pdb=" O LEU 3 713 " (cutoff:3.500A) Processing sheet with id=105, first strand: chain '3' and resid 726 through 732 removed outlier: 3.871A pdb=" N ASP 3 727 " --> pdb=" O GLY 3 744 " (cutoff:3.500A) Processing sheet with id=106, first strand: chain '3' and resid 776 through 781 removed outlier: 4.621A pdb=" N SER 3 776 " --> pdb=" O HIS 3 822 " (cutoff:3.500A) removed outlier: 4.130A pdb=" N HIS 3 822 " --> pdb=" O SER 3 776 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N CYS 3 818 " --> pdb=" O LEU 3 780 " (cutoff:3.500A) removed outlier: 5.646A pdb=" N SER 3 817 " --> pdb=" O THR 3 831 " (cutoff:3.500A) removed outlier: 4.225A pdb=" N THR 3 831 " --> pdb=" O SER 3 817 " (cutoff:3.500A) removed outlier: 4.260A pdb=" N VAL 3 819 " --> pdb=" O SER 3 829 " (cutoff:3.500A) removed outlier: 4.051A pdb=" N SER 3 829 " --> pdb=" O VAL 3 819 " (cutoff:3.500A) removed outlier: 6.351A pdb=" N ARG 3 839 " --> pdb=" O VAL 3 828 " (cutoff:3.500A) Processing sheet with id=107, first strand: chain '3' and resid 924 through 927 removed outlier: 6.758A pdb=" N ILE 3 942 " --> pdb=" O ARG 3 927 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N ARG 3 952 " --> pdb=" O ASP 3 943 " (cutoff:3.500A) removed outlier: 4.797A pdb=" N GLN 3 950 " --> pdb=" O HIS 3 945 " (cutoff:3.500A) Processing sheet with id=108, first strand: chain '3' and resid 981 through 986 removed outlier: 4.124A pdb=" N SER 3 981 " --> pdb=" O CYS 3 997 " (cutoff:3.500A) removed outlier: 4.918A pdb=" N ASP 3 992 " --> pdb=" O ILE 31008 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N ARG 31002 " --> pdb=" O ALA 3 998 " (cutoff:3.500A) removed outlier: 6.548A pdb=" N LEU 31003 " --> pdb=" O GLN 31024 " (cutoff:3.500A) removed outlier: 4.685A pdb=" N GLN 31024 " --> pdb=" O LEU 31003 " (cutoff:3.500A) removed outlier: 6.851A pdb=" N THR 31005 " --> pdb=" O LEU 31022 " (cutoff:3.500A) removed outlier: 4.303A pdb=" N SER 31016 " --> pdb=" O ASN 31011 " (cutoff:3.500A) Processing sheet with id=109, first strand: chain '3' and resid 1033 through 1036 removed outlier: 4.577A pdb=" N ALA 31033 " --> pdb=" O ALA 31044 " (cutoff:3.500A) removed outlier: 6.503A pdb=" N LEU 31051 " --> pdb=" O ARG 31062 " (cutoff:3.500A) Processing sheet with id=110, first strand: chain '3' and resid 1076 through 1080 removed outlier: 4.423A pdb=" N SER 31076 " --> pdb=" O GLY 31088 " (cutoff:3.500A) removed outlier: 6.911A pdb=" N GLU 31083 " --> pdb=" O TRP 31099 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N ASP 31089 " --> pdb=" O SER 31093 " (cutoff:3.500A) removed outlier: 6.294A pdb=" N SER 31093 " --> pdb=" O ASP 31089 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ILE 31098 " --> pdb=" O ILE 31107 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N ILE 31107 " --> pdb=" O ILE 31098 " (cutoff:3.500A) Processing sheet with id=111, first strand: chain '3' and resid 1120 through 1124 removed outlier: 4.582A pdb=" N VAL 31120 " --> pdb=" O ALA 31132 " (cutoff:3.500A) removed outlier: 6.649A pdb=" N THR 31128 " --> pdb=" O LEU 31124 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ALA 31127 " --> pdb=" O SER 31143 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ASN 31137 " --> pdb=" O ASP 31133 " (cutoff:3.500A) removed outlier: 6.383A pdb=" N THR 31140 " --> pdb=" O LEU 31190 " (cutoff:3.500A) Processing sheet with id=112, first strand: chain '3' and resid 156 through 159 removed outlier: 3.668A pdb=" N VAL 3 175 " --> pdb=" O ILE 3 159 " (cutoff:3.500A) Processing sheet with id=113, first strand: chain '3' and resid 267 through 271 removed outlier: 3.913A pdb=" N ALA 3 284 " --> pdb=" O PHE 3 270 " (cutoff:3.500A) Processing sheet with id=114, first strand: chain '3' and resid 606 through 609 removed outlier: 3.658A pdb=" N TRP 3 624 " --> pdb=" O LEU 3 607 " (cutoff:3.500A) removed outlier: 4.341A pdb=" N LEU 3 622 " --> pdb=" O HIS 3 609 " (cutoff:3.500A) Processing sheet with id=115, first strand: chain '3' and resid 649 through 652 removed outlier: 5.140A pdb=" N TYR 3 649 " --> pdb=" O LEU 3 672 " (cutoff:3.500A) Processing sheet with id=116, first strand: chain '3' and resid 699 through 702 removed outlier: 3.547A pdb=" N ILE 3 702 " --> pdb=" O SER 3 717 " (cutoff:3.500A) removed outlier: 4.449A pdb=" N SER 3 717 " --> pdb=" O ILE 3 702 " (cutoff:3.500A) Processing sheet with id=117, first strand: chain '3' and resid 860 through 865 removed outlier: 5.899A pdb=" N ASN 3 860 " --> pdb=" O VAL 3 876 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N VAL 3 876 " --> pdb=" O ASN 3 860 " (cutoff:3.500A) Processing sheet with id=118, first strand: chain '3' and resid 1048 through 1051 Processing sheet with id=119, first strand: chain '3' and resid 1136 through 1140 removed outlier: 4.914A pdb=" N GLY 31136 " --> pdb=" O VAL 31195 " (cutoff:3.500A) Processing sheet with id=120, first strand: chain '4' and resid 36 through 40 removed outlier: 6.077A pdb=" N ASN 4 9 " --> pdb=" O PHE 4 57 " (cutoff:3.500A) Processing sheet with id=121, first strand: chain '4' and resid 135 through 144 removed outlier: 7.312A pdb=" N ILE 4 135 " --> pdb=" O GLU 4 156 " (cutoff:3.500A) removed outlier: 7.450A pdb=" N GLU 4 156 " --> pdb=" O ILE 4 135 " (cutoff:3.500A) removed outlier: 6.040A pdb=" N GLU 4 137 " --> pdb=" O TYR 4 154 " (cutoff:3.500A) removed outlier: 5.154A pdb=" N TYR 4 154 " --> pdb=" O GLU 4 137 " (cutoff:3.500A) Processing sheet with id=122, first strand: chain 'X' and resid 59 through 63 removed outlier: 4.556A pdb=" N PHE X 74 " --> pdb=" O SER X 63 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N LEU X 77 " --> pdb=" O ILE X 33 " (cutoff:3.500A) removed outlier: 4.209A pdb=" N TYR X 79 " --> pdb=" O ALA X 31 " (cutoff:3.500A) removed outlier: 6.300A pdb=" N ALA X 31 " --> pdb=" O TYR X 79 " (cutoff:3.500A) removed outlier: 4.542A pdb=" N TYR X 32 " --> pdb=" O THR X 107 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ARG X 100 " --> pdb=" O ILE X 97 " (cutoff:3.500A) removed outlier: 4.076A pdb=" N PHE X 95 " --> pdb=" O LEU X 102 " (cutoff:3.500A) Processing sheet with id=123, first strand: chain 'u' and resid 61 through 64 removed outlier: 4.158A pdb=" N LYS u 61 " --> pdb=" O ASP u 378 " (cutoff:3.500A) Processing sheet with id=124, first strand: chain 'u' and resid 279 through 283 removed outlier: 3.838A pdb=" N ARG u 287 " --> pdb=" O CYS u 282 " (cutoff:3.500A) Processing sheet with id=125, first strand: chain 'u' and resid 420 through 424 Processing sheet with id=126, first strand: chain 'v' and resid 57 through 60 removed outlier: 8.798A pdb=" N TYR v 57 " --> pdb=" O LYS v 69 " (cutoff:3.500A) removed outlier: 3.984A pdb=" N LYS v 69 " --> pdb=" O TYR v 57 " (cutoff:3.500A) Processing sheet with id=127, first strand: chain 'v' and resid 154 through 159 removed outlier: 6.375A pdb=" N LYS v 248 " --> pdb=" O TYR v 159 " (cutoff:3.500A) Processing sheet with id=128, first strand: chain 'v' and resid 178 through 184 4602 hydrogen bonds defined for protein. 13545 hydrogen bond angles defined for protein. Restraints generated for nucleic acids: 438 hydrogen bonds 812 hydrogen bond angles 0 basepair planarities 178 basepair parallelities 281 stacking parallelities Total time for adding SS restraints: 71.20 Time building geometry restraints manager: 38.62 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.19 - 1.34: 34942 1.34 - 1.50: 34657 1.50 - 1.65: 44074 1.65 - 1.81: 612 1.81 - 1.96: 51 Bond restraints: 114336 Sorted by residual: bond pdb=" O3' U H1161 " pdb=" P U H1162 " ideal model delta sigma weight residual 1.607 1.420 0.187 1.50e-02 4.44e+03 1.56e+02 bond pdb=" O3' A H1092 " pdb=" P C H1093 " ideal model delta sigma weight residual 1.607 1.429 0.178 1.50e-02 4.44e+03 1.41e+02 bond pdb=" O5' C H1163 " pdb=" C5' C H1163 " ideal model delta sigma weight residual 1.420 1.586 -0.166 1.50e-02 4.44e+03 1.22e+02 bond pdb=" CA ASP o 69 " pdb=" CB ASP o 69 " ideal model delta sigma weight residual 1.532 1.380 0.152 1.42e-02 4.96e+03 1.15e+02 bond pdb=" O3' A H1116 " pdb=" P G H1117 " ideal model delta sigma weight residual 1.607 1.469 0.138 1.50e-02 4.44e+03 8.49e+01 ... (remaining 114331 not shown) Histogram of bond angle deviations from ideal: 83.02 - 95.32: 64 95.32 - 107.62: 8369 107.62 - 119.92: 96468 119.92 - 132.23: 51995 132.23 - 144.53: 243 Bond angle restraints: 157139 Sorted by residual: angle pdb=" C4' U H1151 " pdb=" C3' U H1151 " pdb=" O3' U H1151 " ideal model delta sigma weight residual 113.00 83.02 29.98 1.50e+00 4.44e-01 3.99e+02 angle pdb=" O3' A H1092 " pdb=" C3' A H1092 " pdb=" C2' A H1092 " ideal model delta sigma weight residual 113.70 140.49 -26.79 1.50e+00 4.44e-01 3.19e+02 angle pdb=" C3' G H1097 " pdb=" C2' G H1097 " pdb=" O2' G H1097 " ideal model delta sigma weight residual 110.70 135.38 -24.68 1.50e+00 4.44e-01 2.71e+02 angle pdb=" N PRO o 44 " pdb=" CA PRO o 44 " pdb=" CB PRO o 44 " ideal model delta sigma weight residual 103.23 113.87 -10.64 6.70e-01 2.23e+00 2.52e+02 angle pdb=" P C H1093 " pdb=" O5' C H1093 " pdb=" C5' C H1093 " ideal model delta sigma weight residual 120.90 144.53 -23.63 1.50e+00 4.44e-01 2.48e+02 ... (remaining 157134 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 35.74: 66117 35.74 - 71.49: 1520 71.49 - 107.23: 203 107.23 - 142.97: 19 142.97 - 178.72: 17 Dihedral angle restraints: 67876 sinusoidal: 32246 harmonic: 35630 Sorted by residual: dihedral pdb=" CA PHE A 239 " pdb=" C PHE A 239 " pdb=" N PRO A 240 " pdb=" CA PRO A 240 " ideal model delta harmonic sigma weight residual -180.00 -109.81 -70.19 0 5.00e+00 4.00e-02 1.97e+02 dihedral pdb=" CA GLU K 383 " pdb=" C GLU K 383 " pdb=" N GLY K 384 " pdb=" CA GLY K 384 " ideal model delta harmonic sigma weight residual 180.00 118.73 61.27 0 5.00e+00 4.00e-02 1.50e+02 dihedral pdb=" CA ARG D 685 " pdb=" C ARG D 685 " pdb=" N VAL D 686 " pdb=" CA VAL D 686 " ideal model delta harmonic sigma weight residual -180.00 -119.26 -60.74 0 5.00e+00 4.00e-02 1.48e+02 ... (remaining 67873 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.263: 17719 0.263 - 0.525: 65 0.525 - 0.788: 4 0.788 - 1.051: 0 1.051 - 1.313: 2 Chirality restraints: 17790 Sorted by residual: chirality pdb=" C3' A H1147 " pdb=" C4' A H1147 " pdb=" O3' A H1147 " pdb=" C2' A H1147 " both_signs ideal model delta sigma weight residual False -2.48 -1.16 -1.31 2.00e-01 2.50e+01 4.31e+01 chirality pdb=" C2' G H1097 " pdb=" C3' G H1097 " pdb=" O2' G H1097 " pdb=" C1' G H1097 " both_signs ideal model delta sigma weight residual False -2.75 -1.59 -1.17 2.00e-01 2.50e+01 3.39e+01 chirality pdb=" C3' U H1151 " pdb=" C4' U H1151 " pdb=" O3' U H1151 " pdb=" C2' U H1151 " both_signs ideal model delta sigma weight residual False -2.48 -3.09 0.62 2.00e-01 2.50e+01 9.52e+00 ... (remaining 17787 not shown) Planarity restraints: 18082 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C1' C H1141 " 0.015 2.00e-02 2.50e+03 5.64e-02 7.16e+01 pdb=" N1 C H1141 " -0.020 2.00e-02 2.50e+03 pdb=" C2 C H1141 " -0.116 2.00e-02 2.50e+03 pdb=" O2 C H1141 " 0.098 2.00e-02 2.50e+03 pdb=" N3 C H1141 " -0.047 2.00e-02 2.50e+03 pdb=" C4 C H1141 " -0.001 2.00e-02 2.50e+03 pdb=" N4 C H1141 " 0.045 2.00e-02 2.50e+03 pdb=" C5 C H1141 " -0.002 2.00e-02 2.50e+03 pdb=" C6 C H1141 " 0.027 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" C1' G H1139 " 0.091 2.00e-02 2.50e+03 4.56e-02 6.23e+01 pdb=" N9 G H1139 " -0.079 2.00e-02 2.50e+03 pdb=" C8 G H1139 " -0.083 2.00e-02 2.50e+03 pdb=" N7 G H1139 " 0.034 2.00e-02 2.50e+03 pdb=" C5 G H1139 " 0.037 2.00e-02 2.50e+03 pdb=" C6 G H1139 " 0.018 2.00e-02 2.50e+03 pdb=" O6 G H1139 " 0.004 2.00e-02 2.50e+03 pdb=" N1 G H1139 " 0.000 2.00e-02 2.50e+03 pdb=" C2 G H1139 " -0.000 2.00e-02 2.50e+03 pdb=" N2 G H1139 " -0.025 2.00e-02 2.50e+03 pdb=" N3 G H1139 " -0.002 2.00e-02 2.50e+03 pdb=" C4 G H1139 " 0.004 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" C1' G H1126 " 0.109 2.00e-02 2.50e+03 4.56e-02 6.22e+01 pdb=" N9 G H1126 " -0.085 2.00e-02 2.50e+03 pdb=" C8 G H1126 " -0.050 2.00e-02 2.50e+03 pdb=" N7 G H1126 " -0.001 2.00e-02 2.50e+03 pdb=" C5 G H1126 " 0.002 2.00e-02 2.50e+03 pdb=" C6 G H1126 " 0.000 2.00e-02 2.50e+03 pdb=" O6 G H1126 " 0.052 2.00e-02 2.50e+03 pdb=" N1 G H1126 " -0.000 2.00e-02 2.50e+03 pdb=" C2 G H1126 " -0.001 2.00e-02 2.50e+03 pdb=" N2 G H1126 " -0.025 2.00e-02 2.50e+03 pdb=" N3 G H1126 " -0.002 2.00e-02 2.50e+03 pdb=" C4 G H1126 " 0.001 2.00e-02 2.50e+03 ... (remaining 18079 not shown) Histogram of nonbonded interaction distances: 1.79 - 2.41: 415 2.41 - 3.03: 67809 3.03 - 3.65: 167680 3.65 - 4.28: 251975 4.28 - 4.90: 400194 Nonbonded interactions: 888073 Sorted by model distance: nonbonded pdb=" O THR Y 207 " pdb=" CD1 LEU Y 214 " model vdw 1.786 3.460 nonbonded pdb=" OG SER C 190 " pdb="MG MG C1501 " model vdw 1.802 2.170 nonbonded pdb=" CH2 TRP A2152 " pdb=" O ALA D1061 " model vdw 1.829 3.340 nonbonded pdb=" CB GLU A2310 " pdb=" CZ PHE A2333 " model vdw 1.846 3.740 nonbonded pdb=" NE2 GLN A1667 " pdb=" OD1 ASN O 211 " model vdw 1.895 2.520 ... (remaining 888068 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 'P' and ((resid 12 through 53 and (name N or name CA or name C or name O \ )) or (resid 77 through 102 and (name N or name CA or name C or name O )))) selection = (chain 'a' and resid 12 through 102) selection = (chain 'h' and ((resid 12 through 53 and (name N or name CA or name C or name O \ )) or (resid 77 through 102 and (name N or name CA or name C or name O )))) } ncs_group { reference = (chain 'R' and ((resid 20 through 80 and (name N or name CA or name C or name O \ )) or (resid 82 through 108 and (name N or name CA or name C or name O )))) selection = (chain 'c' and resid 20 through 108) } ncs_group { reference = (chain 'S' and (resid 5 through 83 and (name N or name CA or name C or name O )) \ ) selection = chain 'd' selection = (chain 'l' and (resid 5 through 83 and (name N or name CA or name C or name O )) \ ) } ncs_group { reference = (chain 'T' and ((resid 10 through 60 and (name N or name CA or name C or name O \ )) or (resid 73 and (name N or name CA or name C or name O )) or (resid 79 throu \ gh 92 and (name N or name CA or name C or name O )))) selection = (chain 'e' and (resid 10 through 60 or resid 73 through 92)) selection = (chain 'i' and ((resid 10 through 60 and (name N or name CA or name C or name O \ )) or (resid 73 and (name N or name CA or name C or name O )) or (resid 79 throu \ gh 92 and (name N or name CA or name C or name O )))) } ncs_group { reference = (chain 'U' and ((resid 12 through 32 and (name N or name CA or name C or name O \ )) or (resid 36 through 83 and (name N or name CA or name C or name O )))) selection = (chain 'f' and resid 12 through 83) selection = (chain 'j' and ((resid 12 through 32 and (name N or name CA or name C or name O \ )) or (resid 36 through 83 and (name N or name CA or name C or name O )))) } ncs_group { reference = (chain 'V' and ((resid 2 through 47 and (name N or name CA or name C or name O ) \ ) or (resid 54 through 58 and (name N or name CA or name C or name O )) or (resi \ d 61 through 76 and (name N or name CA or name C or name O )))) selection = (chain 'g' and (resid 2 through 47 or resid 54 through 76)) selection = (chain 'k' and ((resid 2 through 58 and (name N or name CA or name C or name O ) \ ) or (resid 61 through 76 and (name N or name CA or name C or name O )))) } ncs_group { reference = (chain 'b' and (resid 1 through 47 or resid 75 through 76 or resid 78 through 79 \ or resid 90 through 109)) selection = (chain 'm' and ((resid 1 through 47 and (name N or name CA or name C or name O ) \ ) or (resid 80 through 81 and (name N or name CA or name C or name O )) or (resi \ d 86 through 87 and (name N or name CA or name C or name O )) or (resid 90 throu \ gh 109 and (name N or name CA or name C or name O )))) } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=0.30 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as individual isotropic Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 2.390 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: 0.080 Extract box with map and model: 17.790 Check model and map are aligned: 1.250 Set scattering table: 0.780 Process input model: 343.610 Find NCS groups from input model: 3.340 Set up NCS constraints: 0.500 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.020 Load rotamer database and sin/cos tables:2.470 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 372.240 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.4215 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 0.187 114336 Z= 0.460 Angle : 1.154 29.978 157139 Z= 0.706 Chirality : 0.062 1.313 17790 Planarity : 0.006 0.092 18082 Dihedral : 14.460 178.717 45354 Min Nonbonded Distance : 1.786 Molprobity Statistics. All-atom Clashscore : 18.95 Ramachandran Plot: Outliers : 0.56 % Allowed : 5.93 % Favored : 93.52 % Rotamer: Outliers : 0.72 % Allowed : 1.83 % Favored : 97.45 % Cbeta Deviations : 0.09 % Peptide Plane: Cis-proline : 1.57 % Cis-general : 0.00 % Twisted Proline : 0.98 % Twisted General : 0.11 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.22 (0.06), residues: 12585 helix: -2.42 (0.06), residues: 4868 sheet: -1.55 (0.10), residues: 2094 loop : -1.95 (0.07), residues: 5623 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.054 0.004 TRP N 705 HIS 0.044 0.002 HIS D 804 PHE 0.071 0.004 PHE D1367 TYR 0.081 0.004 TYR D1488 ARG 0.030 0.001 ARG D1047 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25170 Ramachandran restraints generated. 12585 Oldfield, 0 Emsley, 12585 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25170 Ramachandran restraints generated. 12585 Oldfield, 0 Emsley, 12585 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1767 residues out of total 11628 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 74 poor density : 1693 time to evaluate : 8.840 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash Traceback (most recent call last): File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/build/../modules/phenix/phenix/command_line/real_space_refine.py", line 8, in run_program(real_space_refine.Program) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/cctbx_project/iotbx/cli_parser.py", line 931, in run_program task.run() File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/phenix/phenix/programs/real_space_refine.py", line 191, in run log = self.logger) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/phenix/phenix/refinement/rsr/wrappers.py", line 58, in __init__ log = log) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 294, in __init__ self.caller(self.optimize_sidechains) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 312, in caller func() File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 600, in optimize_sidechains log = self.log) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 83, in __init__ rotatable_hd = self.rotatable_hd) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 180, in run_one pdb_hierarchy = self.run_one_one(args=args) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 131, in run_one_one log = log) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/cctbx_project/mmtbx/refinement/real_space/fit_residues.py", line 99, in __init__ self.loop(function = self.one_residue_iteration) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/cctbx_project/mmtbx/refinement/real_space/fit_residues.py", line 209, in loop function(residue = residue) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/cctbx_project/mmtbx/refinement/real_space/fit_residues.py", line 196, in one_residue_iteration log = self.log) File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/cctbx_project/mmtbx/refinement/real_space/fit_residue.py", line 172, in __init__ self.fit_proline() File "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-5172/modules/cctbx_project/mmtbx/refinement/real_space/fit_residue.py", line 217, in fit_proline for rotamer, sites_cart in rotamer_iterator: TypeError: 'NoneType' object is not iterable