Starting phenix.real_space_refine on Sun Mar 10 14:25:14 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7w5b_32321/03_2024/7w5b_32321_neut_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7w5b_32321/03_2024/7w5b_32321.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=4.3 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7w5b_32321/03_2024/7w5b_32321.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7w5b_32321/03_2024/7w5b_32321.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7w5b_32321/03_2024/7w5b_32321_neut_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7w5b_32321/03_2024/7w5b_32321_neut_updated.pdb" } resolution = 4.3 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= 0.014 sd= 0.086 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 7 6.06 5 P 430 5.49 5 Mg 9 5.21 5 S 336 5.16 5 C 64818 2.51 5 N 19565 2.21 5 O 21373 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A ARG 86": "NH1" <-> "NH2" Residue "A ARG 153": "NH1" <-> "NH2" Residue "A PHE 161": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 165": "NH1" <-> "NH2" Residue "A GLU 343": "OE1" <-> "OE2" Residue "A TYR 431": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 447": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 470": "NH1" <-> "NH2" Residue "A ARG 474": "NH1" <-> "NH2" Residue "A TYR 515": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 548": "NH1" <-> "NH2" Residue "A ARG 663": "NH1" <-> "NH2" Residue "A ARG 758": "NH1" <-> "NH2" Residue "A ARG 762": "NH1" <-> "NH2" Residue "A ARG 845": "NH1" <-> "NH2" Residue "A GLU 862": "OE1" <-> "OE2" Residue "A ARG 880": "NH1" <-> "NH2" Residue "A ARG 995": "NH1" <-> "NH2" Residue "A PHE 1036": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 1091": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 1163": "NH1" <-> "NH2" Residue "A PHE 1192": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 1370": "NH1" <-> "NH2" Residue "A ARG 1414": "NH1" <-> "NH2" Residue "A ARG 1427": "NH1" <-> "NH2" Residue "A ARG 1471": "NH1" <-> "NH2" Residue "A PHE 1561": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 1620": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 1808": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 1850": "NH1" <-> "NH2" Residue "A ARG 1865": "NH1" <-> "NH2" Residue "A PHE 1879": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 490": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 514": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ARG 569": "NH1" <-> "NH2" Residue "C ARG 730": "NH1" <-> "NH2" Residue "E TYR 70": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 536": "OE1" <-> "OE2" Residue "I ARG 567": "NH1" <-> "NH2" Residue "I GLU 617": "OE1" <-> "OE2" Residue "I GLU 624": "OE1" <-> "OE2" Residue "I GLU 675": "OE1" <-> "OE2" Residue "I ARG 698": "NH1" <-> "NH2" Residue "I ARG 727": "NH1" <-> "NH2" Residue "I ARG 728": "NH1" <-> "NH2" Residue "J ARG 201": "NH1" <-> "NH2" Residue "L GLU 52": "OE1" <-> "OE2" Residue "L ARG 83": "NH1" <-> "NH2" Residue "L ASP 129": "OD1" <-> "OD2" Residue "L PHE 216": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ARG 117": "NH1" <-> "NH2" Residue "M PHE 160": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ARG 181": "NH1" <-> "NH2" Residue "M TYR 210": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ARG 8": "NH1" <-> "NH2" Residue "N ARG 130": "NH1" <-> "NH2" Residue "O PHE 55": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ARG 64": "NH1" <-> "NH2" Residue "O ARG 132": "NH1" <-> "NH2" Residue "P PHE 9": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 10": "OE1" <-> "OE2" Residue "P ARG 16": "NH1" <-> "NH2" Residue "P ARG 60": "NH1" <-> "NH2" Residue "R ARG 53": "NH1" <-> "NH2" Residue "R PHE 212": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ARG 273": "NH1" <-> "NH2" Residue "R GLU 309": "OE1" <-> "OE2" Residue "R ARG 310": "NH1" <-> "NH2" Residue "R GLU 318": "OE1" <-> "OE2" Residue "R GLU 333": "OE1" <-> "OE2" Residue "S PHE 82": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S PHE 129": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 2": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ARG 457": "NH1" <-> "NH2" Residue "V ARG 545": "NH1" <-> "NH2" Residue "V ARG 602": "NH1" <-> "NH2" Residue "W TYR 81": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 125": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 137": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 254": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W PHE 426": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W ARG 495": "NH1" <-> "NH2" Residue "Y PHE 416": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ARG 644": "NH1" <-> "NH2" Residue "Z ARG 726": "NH1" <-> "NH2" Residue "Z ARG 733": "NH1" <-> "NH2" Residue "Z ARG 737": "NH1" <-> "NH2" Residue "Z ARG 753": "NH1" <-> "NH2" Residue "Z ARG 757": "NH1" <-> "NH2" Residue "2 GLU 30": "OE1" <-> "OE2" Residue "2 ASP 43": "OD1" <-> "OD2" Residue "2 GLU 78": "OE1" <-> "OE2" Residue "2 ARG 86": "NH1" <-> "NH2" Residue "2 GLU 101": "OE1" <-> "OE2" Residue "2 GLU 108": "OE1" <-> "OE2" Residue "2 ARG 131": "NH1" <-> "NH2" Residue "z GLU 66": "OE1" <-> "OE2" Residue "b GLU 47": "OE1" <-> "OE2" Residue "b GLU 75": "OE1" <-> "OE2" Residue "c ARG 61": "NH1" <-> "NH2" Residue "d ARG 61": "NH1" <-> "NH2" Residue "d GLU 68": "OE1" <-> "OE2" Residue "d ARG 102": "NH1" <-> "NH2" Residue "f GLU 28": "OE1" <-> "OE2" Residue "f ARG 73": "NH1" <-> "NH2" Residue "e ARG 76": "NH1" <-> "NH2" Residue "g ARG 32": "NH1" <-> "NH2" Residue "i GLU 47": "OE1" <-> "OE2" Residue "i GLU 75": "OE1" <-> "OE2" Residue "j ARG 61": "NH1" <-> "NH2" Residue "k ARG 61": "NH1" <-> "NH2" Residue "k GLU 68": "OE1" <-> "OE2" Residue "k ARG 102": "NH1" <-> "NH2" Residue "m GLU 28": "OE1" <-> "OE2" Residue "m ARG 73": "NH1" <-> "NH2" Residue "l ARG 76": "NH1" <-> "NH2" Residue "n ARG 32": "NH1" <-> "NH2" Residue "1 GLU 38": "OE1" <-> "OE2" Residue "1 ARG 86": "NH1" <-> "NH2" Residue "1 GLU 90": "OE1" <-> "OE2" Residue "1 ARG 136": "NH1" <-> "NH2" Residue "1 ARG 139": "NH1" <-> "NH2" Residue "1 GLU 176": "OE1" <-> "OE2" Residue "1 TYR 185": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 GLU 269": "OE1" <-> "OE2" Residue "1 GLU 340": "OE1" <-> "OE2" Residue "3 ARG 330": "NH1" <-> "NH2" Residue "3 GLU 336": "OE1" <-> "OE2" Residue "3 ARG 358": "NH1" <-> "NH2" Time to flip residues: 0.18s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib" Total number of atoms: 106538 Number of models: 1 Model: "" Number of chains: 62 Chain: "A" Number of atoms: 17748 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2253, 17748 Classifications: {'peptide': 2253} Incomplete info: {'truncation_to_alanine': 261} Link IDs: {'PTRANS': 126, 'TRANS': 2126} Chain breaks: 2 Unresolved chain link angles: 20 Unresolved non-hydrogen bonds: 1019 Unresolved non-hydrogen angles: 1318 Unresolved non-hydrogen dihedrals: 892 Unresolved non-hydrogen chiralities: 70 Planarities with less than four sites: {'GLN:plan1': 15, 'ASP:plan': 12, 'TYR:plan': 16, 'ASN:plan1': 15, 'TRP:plan': 8, 'HIS:plan': 12, 'PHE:plan': 12, 'GLU:plan': 18, 'ARG:plan': 13} Unresolved non-hydrogen planarities: 594 Chain: "B" Number of atoms: 1768 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 1768 Classifications: {'RNA': 84} Modifications used: {'rna2p_pur': 5, 'rna2p_pyr': 10, 'rna3p_pur': 31, 'rna3p_pyr': 38} Link IDs: {'rna2p': 14, 'rna3p': 69} Chain breaks: 1 Chain: "C" Number of atoms: 6787 Number of conformers: 1 Conformer: "" Number of residues, atoms: 862, 6787 Classifications: {'peptide': 862} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 53, 'TRANS': 808} Chain breaks: 2 Unresolved non-hydrogen bonds: 15 Unresolved non-hydrogen angles: 19 Unresolved non-hydrogen dihedrals: 13 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'HIS:plan': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 8 Chain: "D" Number of atoms: 8530 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1722, 8530 Classifications: {'peptide': 1722} Incomplete info: {'truncation_to_alanine': 1541} Link IDs: {'PTRANS': 79, 'TRANS': 1642} Unresolved chain link angles: 79 Unresolved non-hydrogen bonds: 5611 Unresolved non-hydrogen angles: 7189 Unresolved non-hydrogen dihedrals: 4662 Unresolved non-hydrogen chiralities: 532 Planarities with less than four sites: {'GLN:plan1': 83, 'ASP:plan': 89, 'TYR:plan': 61, 'ASN:plan1': 70, 'TRP:plan': 19, 'HIS:plan': 52, 'PHE:plan': 65, 'GLU:plan': 125, 'ARG:plan': 88} Unresolved non-hydrogen planarities: 2997 Chain: "E" Number of atoms: 2338 Number of conformers: 1 Conformer: "" Number of residues, atoms: 299, 2338 Classifications: {'peptide': 299} Link IDs: {'PTRANS': 9, 'TRANS': 289} Chain: "F" Number of atoms: 2075 Number of conformers: 1 Conformer: "" Number of residues, atoms: 97, 2075 Classifications: {'RNA': 97} Modifications used: {'rna2p_pur': 9, 'rna2p_pyr': 6, 'rna3p_pur': 46, 'rna3p_pyr': 36} Link IDs: {'rna2p': 15, 'rna3p': 81} Chain: "4" Number of atoms: 276 Number of conformers: 1 Conformer: "" Number of residues, atoms: 13, 276 Classifications: {'RNA': 13} Modifications used: {'rna2p_pur': 2, 'rna2p_pyr': 5, 'rna3p_pur': 4, 'rna3p_pyr': 2} Link IDs: {'rna2p': 7, 'rna3p': 5} Chain: "G" Number of atoms: 1510 Number of conformers: 1 Conformer: "" Number of residues, atoms: 82, 1510 Classifications: {'RNA': 82} Modifications used: {'rna2p_pur': 9, 'rna2p_pyr': 2, 'rna3p_pur': 30, 'rna3p_pyr': 41} Link IDs: {'rna2p': 10, 'rna3p': 71} Chain breaks: 2 Unresolved non-hydrogen bonds: 265 Unresolved non-hydrogen angles: 419 Unresolved non-hydrogen dihedrals: 258 Unresolved non-hydrogen chiralities: 25 Planarities with less than four sites: {' G%rna3p_pur:plan2': 7, ' C%rna3p_pyr:plan': 6, ' A%rna3p_pur:plan2': 4, ' U%rna3p_pyr:plan': 8, ' C%rna3p_pyr:plan2': 6, ' G%rna3p_pur:plan': 7, ' A%rna3p_pur:plan': 4} Unresolved non-hydrogen planarities: 263 Chain: "H" Number of atoms: 2966 Number of conformers: 1 Conformer: "" Number of residues, atoms: 140, 2966 Classifications: {'RNA': 140} Modifications used: {'rna2p_pur': 7, 'rna2p_pyr': 14, 'rna3p_pur': 59, 'rna3p_pyr': 60} Link IDs: {'rna2p': 21, 'rna3p': 118} Chain breaks: 6 Chain: "I" Number of atoms: 3857 Number of conformers: 1 Conformer: "" Number of residues, atoms: 618, 3857 Classifications: {'peptide': 618} Incomplete info: {'truncation_to_alanine': 348} Link IDs: {'PTRANS': 16, 'TRANS': 601} Chain breaks: 20 Unresolved chain link angles: 10 Unresolved non-hydrogen bonds: 1422 Unresolved non-hydrogen angles: 1830 Unresolved non-hydrogen dihedrals: 1208 Unresolved non-hydrogen chiralities: 104 Planarities with less than four sites: {'GLN:plan1': 17, 'HIS:plan': 13, 'TYR:plan': 20, 'ASN:plan1': 13, 'TRP:plan': 10, 'ASP:plan': 25, 'PHE:plan': 14, 'GLU:plan': 35, 'ARG:plan': 40} Unresolved non-hydrogen planarities: 901 Chain: "J" Number of atoms: 3819 Number of conformers: 1 Conformer: "" Number of residues, atoms: 569, 3819 Classifications: {'peptide': 569} Incomplete info: {'backbone_only': 9, 'truncation_to_alanine': 266} Link IDs: {'PTRANS': 17, 'TRANS': 551} Chain breaks: 19 Unresolved chain link angles: 9 Unresolved non-hydrogen bonds: 1145 Unresolved non-hydrogen angles: 1453 Unresolved non-hydrogen dihedrals: 971 Unresolved non-hydrogen chiralities: 77 Planarities with less than four sites: {'GLN:plan1': 13, 'HIS:plan': 4, 'TYR:plan': 12, 'ASN:plan1': 9, 'TRP:plan': 7, 'ASP:plan': 15, 'PHE:plan': 16, 'GLU:plan': 45, 'ARG:plan': 29} Unresolved non-hydrogen planarities: 716 Chain: "K" Number of atoms: 772 Number of conformers: 1 Conformer: "" Number of residues, atoms: 155, 772 Classifications: {'peptide': 155} Incomplete info: {'truncation_to_alanine': 140} Link IDs: {'PTRANS': 3, 'TRANS': 151} Chain breaks: 3 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 536 Unresolved non-hydrogen angles: 681 Unresolved non-hydrogen dihedrals: 444 Unresolved non-hydrogen chiralities: 38 Planarities with less than four sites: {'GLN:plan1': 11, 'HIS:plan': 5, 'TYR:plan': 5, 'ASN:plan1': 12, 'TRP:plan': 3, 'ASP:plan': 4, 'PHE:plan': 2, 'GLU:plan': 21, 'ARG:plan': 12} Unresolved non-hydrogen planarities: 335 Chain: "L" Number of atoms: 3015 Number of conformers: 1 Conformer: "" Number of residues, atoms: 437, 3015 Classifications: {'peptide': 437} Incomplete info: {'truncation_to_alanine': 164} Link IDs: {'PTRANS': 12, 'TRANS': 424} Chain breaks: 5 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 624 Unresolved non-hydrogen angles: 767 Unresolved non-hydrogen dihedrals: 518 Unresolved non-hydrogen chiralities: 43 Planarities with less than four sites: {'GLN:plan1': 13, 'ASP:plan': 10, 'TYR:plan': 3, 'ASN:plan1': 2, 'TRP:plan': 1, 'HIS:plan': 9, 'PHE:plan': 1, 'GLU:plan': 26, 'ARG:plan': 14} Unresolved non-hydrogen planarities: 343 Chain: "M" Number of atoms: 1098 Number of conformers: 1 Conformer: "" Number of residues, atoms: 130, 1098 Classifications: {'peptide': 130} Link IDs: {'PTRANS': 5, 'TRANS': 124} Chain: "N" Number of atoms: 1184 Number of conformers: 1 Conformer: "" Number of residues, atoms: 143, 1184 Classifications: {'peptide': 143} Link IDs: {'PTRANS': 7, 'TRANS': 135} Chain: "O" Number of atoms: 2296 Number of conformers: 1 Conformer: "" Number of residues, atoms: 285, 2296 Classifications: {'peptide': 285} Link IDs: {'PTRANS': 17, 'TRANS': 267} Chain: "P" Number of atoms: 953 Number of conformers: 1 Conformer: "" Number of residues, atoms: 113, 953 Classifications: {'peptide': 113} Link IDs: {'PTRANS': 4, 'TRANS': 108} Chain breaks: 2 Chain: "Q" Number of atoms: 6562 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 1322, 6554 Classifications: {'peptide': 1322} Incomplete info: {'truncation_to_alanine': 1199} Link IDs: {'PTRANS': 67, 'TRANS': 1254} Chain breaks: 8 Unresolved chain link angles: 67 Unresolved non-hydrogen bonds: 4578 Unresolved non-hydrogen angles: 5873 Unresolved non-hydrogen dihedrals: 3847 Unresolved non-hydrogen chiralities: 385 Planarities with less than four sites: {'GLN:plan1': 63, 'ARG:plan': 84, 'TYR:plan': 52, 'ASN:plan1': 70, 'TRP:plan': 15, 'HIS:plan': 42, 'PHE:plan': 76, 'GLU:plan': 97, 'ASP:plan': 62} Unresolved non-hydrogen planarities: 2621 Conformer: "B" Number of residues, atoms: 1322, 6554 Classifications: {'peptide': 1322} Incomplete info: {'truncation_to_alanine': 1199} Link IDs: {'PTRANS': 67, 'TRANS': 1254} Chain breaks: 8 Unresolved chain link angles: 67 Unresolved non-hydrogen bonds: 4578 Unresolved non-hydrogen angles: 5873 Unresolved non-hydrogen dihedrals: 3847 Unresolved non-hydrogen chiralities: 385 Planarities with less than four sites: {'GLN:plan1': 63, 'ARG:plan': 84, 'TYR:plan': 52, 'ASN:plan1': 70, 'TRP:plan': 15, 'HIS:plan': 42, 'PHE:plan': 76, 'GLU:plan': 97, 'ASP:plan': 62} Unresolved non-hydrogen planarities: 2621 bond proxies already assigned to first conformer: 6533 Chain: "R" Number of atoms: 2243 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2243 Classifications: {'peptide': 280} Link IDs: {'PTRANS': 22, 'TRANS': 257} Chain breaks: 1 Chain: "S" Number of atoms: 1236 Number of conformers: 1 Conformer: "" Number of residues, atoms: 159, 1236 Classifications: {'peptide': 159} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 9, 'TRANS': 149} Chain: "T" Number of atoms: 2454 Number of conformers: 1 Conformer: "" Number of residues, atoms: 312, 2454 Classifications: {'peptide': 312} Link IDs: {'PTRANS': 12, 'TRANS': 299} Chain: "U" Number of atoms: 422 Number of conformers: 1 Conformer: "" Number of residues, atoms: 72, 422 Classifications: {'peptide': 72} Incomplete info: {'truncation_to_alanine': 44} Link IDs: {'PTRANS': 3, 'TRANS': 68} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 171 Unresolved non-hydrogen angles: 213 Unresolved non-hydrogen dihedrals: 137 Unresolved non-hydrogen chiralities: 12 Planarities with less than four sites: {'GLN:plan1': 4, 'ASP:plan': 2, 'TYR:plan': 1, 'HIS:plan': 1, 'PHE:plan': 1, 'GLU:plan': 11, 'ARG:plan': 5} Unresolved non-hydrogen planarities: 109 Chain: "V" Number of atoms: 2632 Number of conformers: 1 Conformer: "" Number of residues, atoms: 452, 2632 Classifications: {'peptide': 452} Incomplete info: {'truncation_to_alanine': 244} Link IDs: {'PTRANS': 12, 'TRANS': 439} Chain breaks: 3 Unresolved chain link angles: 12 Unresolved non-hydrogen bonds: 1110 Unresolved non-hydrogen angles: 1430 Unresolved non-hydrogen dihedrals: 898 Unresolved non-hydrogen chiralities: 105 Planarities with less than four sites: {'GLN:plan1': 15, 'ASP:plan': 19, 'TYR:plan': 10, 'ASN:plan1': 23, 'TRP:plan': 2, 'HIS:plan': 8, 'PHE:plan': 18, 'GLU:plan': 37, 'ARG:plan': 17} Unresolved non-hydrogen planarities: 611 Chain: "W" Number of atoms: 4129 Number of conformers: 1 Conformer: "" Number of residues, atoms: 509, 4129 Classifications: {'peptide': 509} Link IDs: {'PTRANS': 24, 'TRANS': 484} Chain: "Y" Number of atoms: 3431 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 667, 3411 Classifications: {'peptide': 667} Incomplete info: {'truncation_to_alanine': 558} Link IDs: {'PTRANS': 36, 'TRANS': 630} Chain breaks: 1 Unresolved chain link angles: 33 Unresolved chain link dihedrals: 1 Unresolved non-hydrogen bonds: 2000 Unresolved non-hydrogen angles: 2558 Unresolved non-hydrogen dihedrals: 1647 Unresolved non-hydrogen chiralities: 199 Planarities with less than four sites: {'GLN:plan1': 35, 'ASP:plan': 34, 'TYR:plan': 27, 'ASN:plan1': 14, 'TRP:plan': 4, 'HIS:plan': 10, 'PHE:plan': 22, 'GLU:plan': 43, 'ARG:plan': 35} Unresolved non-hydrogen planarities: 1038 Conformer: "B" Number of residues, atoms: 667, 3411 Classifications: {'peptide': 667} Incomplete info: {'truncation_to_alanine': 558} Link IDs: {'PTRANS': 36, 'TRANS': 630} Chain breaks: 1 Unresolved chain link angles: 33 Unresolved chain link dihedrals: 1 Unresolved non-hydrogen bonds: 2000 Unresolved non-hydrogen angles: 2558 Unresolved non-hydrogen dihedrals: 1647 Unresolved non-hydrogen chiralities: 199 Planarities with less than four sites: {'GLN:plan1': 35, 'ASP:plan': 34, 'TYR:plan': 27, 'ASN:plan1': 14, 'TRP:plan': 4, 'HIS:plan': 10, 'PHE:plan': 22, 'GLU:plan': 43, 'ARG:plan': 35} Unresolved non-hydrogen planarities: 1038 bond proxies already assigned to first conformer: 3392 Chain: "Z" Number of atoms: 1084 Number of conformers: 1 Conformer: "" Number of residues, atoms: 122, 1084 Classifications: {'peptide': 122} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 9, 'TRANS': 112} 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: "2" Number of atoms: 1013 Number of conformers: 1 Conformer: "" Number of residues, atoms: 123, 1013 Classifications: {'peptide': 123} Link IDs: {'PTRANS': 8, 'TRANS': 114} Chain: "z" Number of atoms: 496 Number of conformers: 1 Conformer: "" Number of residues, atoms: 60, 496 Classifications: {'peptide': 60} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 2, 'TRANS': 57} Unresolved non-hydrogen bonds: 14 Unresolved non-hydrogen angles: 18 Unresolved non-hydrogen dihedrals: 10 Unresolved non-hydrogen chiralities: 3 Planarities with less than four sites: {'ARG:plan': 1} Unresolved non-hydrogen planarities: 5 Chain: "b" Number of atoms: 786 Number of conformers: 1 Conformer: "" Number of residues, atoms: 102, 786 Classifications: {'peptide': 102} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 6, 'TRANS': 95} Chain breaks: 1 Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 4 Chain: "y" Number of atoms: 390 Number of conformers: 1 Conformer: "" Number of residues, atoms: 79, 390 Classifications: {'peptide': 79} Incomplete info: {'truncation_to_alanine': 64} Link IDs: {'PTRANS': 2, 'TRANS': 76} Unresolved chain link angles: 2 Unresolved non-hydrogen bonds: 247 Unresolved non-hydrogen angles: 317 Unresolved non-hydrogen dihedrals: 201 Unresolved non-hydrogen chiralities: 22 Planarities with less than four sites: {'GLN:plan1': 1, 'ASP:plan': 7, 'TYR:plan': 2, 'ASN:plan1': 3, 'HIS:plan': 2, 'PHE:plan': 6, 'GLU:plan': 9, 'ARG:plan': 4} Unresolved non-hydrogen planarities: 150 Chain: "a" Number of atoms: 609 Number of conformers: 1 Conformer: "" Number of residues, atoms: 77, 609 Classifications: {'peptide': 77} Link IDs: {'PTRANS': 2, 'TRANS': 74} Chain: "c" Number of atoms: 649 Number of conformers: 1 Conformer: "" Number of residues, atoms: 82, 649 Classifications: {'peptide': 82} Link IDs: {'PTRANS': 3, 'TRANS': 78} Chain: "d" Number of atoms: 776 Number of conformers: 1 Conformer: "" Number of residues, atoms: 97, 776 Classifications: {'peptide': 97} Link IDs: {'PTRANS': 4, 'TRANS': 92} Chain: "f" Number of atoms: 576 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 576 Classifications: {'peptide': 74} Link IDs: {'PTRANS': 4, 'TRANS': 69} Chain: "e" Number of atoms: 652 Number of conformers: 1 Conformer: "" Number of residues, atoms: 79, 652 Classifications: {'peptide': 79} Link IDs: {'PTRANS': 1, 'TRANS': 77} Chain: "g" Number of atoms: 577 Number of conformers: 1 Conformer: "" Number of residues, atoms: 74, 577 Classifications: {'peptide': 74} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 3, 'TRANS': 70} Chain: "q" Number of atoms: 659 Number of conformers: 1 Conformer: "" Number of residues, atoms: 132, 659 Classifications: {'peptide': 132} Incomplete info: {'truncation_to_alanine': 117} Link IDs: {'PTRANS': 10, 'TRANS': 121} Unresolved chain link angles: 10 Unresolved non-hydrogen bonds: 404 Unresolved non-hydrogen angles: 520 Unresolved non-hydrogen dihedrals: 328 Unresolved non-hydrogen chiralities: 41 Planarities with less than four sites: {'GLN:plan1': 8, 'HIS:plan': 6, 'TYR:plan': 3, 'ASN:plan1': 5, 'TRP:plan': 1, 'ASP:plan': 5, 'PHE:plan': 1, 'GLU:plan': 11, 'ARG:plan': 8} Unresolved non-hydrogen planarities: 212 Chain: "r" Number of atoms: 654 Number of conformers: 1 Conformer: "" Number of residues, atoms: 131, 654 Classifications: {'peptide': 131} Incomplete info: {'truncation_to_alanine': 116} Link IDs: {'PTRANS': 10, 'TRANS': 120} Unresolved chain link angles: 10 Unresolved non-hydrogen bonds: 401 Unresolved non-hydrogen angles: 516 Unresolved non-hydrogen dihedrals: 326 Unresolved non-hydrogen chiralities: 40 Planarities with less than four sites: {'GLN:plan1': 8, 'HIS:plan': 6, 'TYR:plan': 3, 'ASN:plan1': 5, 'TRP:plan': 1, 'ASP:plan': 5, 'PHE:plan': 1, 'GLU:plan': 11, 'ARG:plan': 8} Unresolved non-hydrogen planarities: 212 Chain: "s" Number of atoms: 659 Number of conformers: 1 Conformer: "" Number of residues, atoms: 132, 659 Classifications: {'peptide': 132} Incomplete info: {'truncation_to_alanine': 117} Link IDs: {'PTRANS': 10, 'TRANS': 121} Unresolved chain link angles: 10 Unresolved non-hydrogen bonds: 404 Unresolved non-hydrogen angles: 520 Unresolved non-hydrogen dihedrals: 328 Unresolved non-hydrogen chiralities: 41 Planarities with less than four sites: {'GLN:plan1': 8, 'HIS:plan': 6, 'TYR:plan': 3, 'ASN:plan1': 5, 'TRP:plan': 1, 'ASP:plan': 5, 'PHE:plan': 1, 'GLU:plan': 11, 'ARG:plan': 8} Unresolved non-hydrogen planarities: 212 Chain: "t" Number of atoms: 654 Number of conformers: 1 Conformer: "" Number of residues, atoms: 131, 654 Classifications: {'peptide': 131} Incomplete info: {'truncation_to_alanine': 116} Link IDs: {'PTRANS': 10, 'TRANS': 120} Unresolved chain link angles: 10 Unresolved non-hydrogen bonds: 401 Unresolved non-hydrogen angles: 516 Unresolved non-hydrogen dihedrals: 326 Unresolved non-hydrogen chiralities: 40 Planarities with less than four sites: {'GLN:plan1': 8, 'HIS:plan': 6, 'TYR:plan': 3, 'ASN:plan1': 5, 'TRP:plan': 1, 'ASP:plan': 5, 'PHE:plan': 1, 'GLU:plan': 11, 'ARG:plan': 8} Unresolved non-hydrogen planarities: 212 Chain: "h" Number of atoms: 633 Number of conformers: 1 Conformer: "" Number of residues, atoms: 81, 633 Classifications: {'peptide': 81} Incomplete info: {'backbone_only': 1, 'truncation_to_alanine': 1} Link IDs: {'PTRANS': 2, 'TRANS': 78} Chain breaks: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 10 Unresolved non-hydrogen dihedrals: 4 Unresolved non-hydrogen chiralities: 2 Planarities with less than four sites: {'GLN:plan1': 1} Unresolved non-hydrogen planarities: 4 Chain: "i" Number of atoms: 690 Number of conformers: 1 Conformer: "" Number of residues, atoms: 86, 690 Classifications: {'peptide': 86} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 4, 'TRANS': 81} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 4 Chain: "j" Number of atoms: 649 Number of conformers: 1 Conformer: "" Number of residues, atoms: 82, 649 Classifications: {'peptide': 82} Link IDs: {'PTRANS': 3, 'TRANS': 78} Chain: "k" Number of atoms: 688 Number of conformers: 1 Conformer: "" Number of residues, atoms: 85, 688 Classifications: {'peptide': 85} Link IDs: {'PTRANS': 3, 'TRANS': 81} Chain breaks: 1 Chain: "m" Number of atoms: 566 Number of conformers: 1 Conformer: "" Number of residues, atoms: 73, 566 Classifications: {'peptide': 73} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 4, 'TRANS': 68} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 4 Chain: "l" Number of atoms: 652 Number of conformers: 1 Conformer: "" Number of residues, atoms: 79, 652 Classifications: {'peptide': 79} Link IDs: {'PTRANS': 1, 'TRANS': 77} Chain: "n" Number of atoms: 542 Number of conformers: 1 Conformer: "" Number of residues, atoms: 69, 542 Classifications: {'peptide': 69} Modifications used: {'COO': 1} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 3, 'TRANS': 65} Chain breaks: 1 Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 5 Unresolved non-hydrogen dihedrals: 3 Planarities with less than four sites: {'GLN:plan1': 1} Unresolved non-hydrogen planarities: 4 Chain: "o" Number of atoms: 1282 Number of conformers: 1 Conformer: "" Number of residues, atoms: 162, 1282 Classifications: {'peptide': 162} Incomplete info: {'truncation_to_alanine': 6} Link IDs: {'PTRANS': 6, 'TRANS': 155} Unresolved non-hydrogen bonds: 32 Unresolved non-hydrogen angles: 36 Unresolved non-hydrogen dihedrals: 28 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLN:plan1': 1, 'ARG:plan': 2} Unresolved non-hydrogen planarities: 14 Chain: "p" Number of atoms: 760 Number of conformers: 1 Conformer: "" Number of residues, atoms: 94, 760 Classifications: {'peptide': 94} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 3, 'TRANS': 90} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 4 Chain: "1" Number of atoms: 2209 Number of conformers: 1 Conformer: "" Number of residues, atoms: 269, 2209 Classifications: {'peptide': 269} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 17, 'TRANS': 251} Chain breaks: 1 Unresolved non-hydrogen bonds: 6 Unresolved non-hydrogen angles: 7 Unresolved non-hydrogen dihedrals: 5 Planarities with less than four sites: {'ARG:plan': 1} Unresolved non-hydrogen planarities: 5 Chain: "v" Number of atoms: 711 Number of conformers: 1 Conformer: "" Number of residues, atoms: 144, 711 Classifications: {'peptide': 144} Incomplete info: {'truncation_to_alanine': 132} Link IDs: {'PTRANS': 6, 'TRANS': 137} Unresolved chain link angles: 6 Unresolved non-hydrogen bonds: 514 Unresolved non-hydrogen angles: 655 Unresolved non-hydrogen dihedrals: 438 Unresolved non-hydrogen chiralities: 38 Planarities with less than four sites: {'GLN:plan1': 3, 'ASP:plan': 12, 'TYR:plan': 8, 'ASN:plan1': 5, 'TRP:plan': 1, 'HIS:plan': 5, 'PHE:plan': 9, 'GLU:plan': 12, 'ARG:plan': 8} Unresolved non-hydrogen planarities: 295 Chain: "w" Number of atoms: 445 Number of conformers: 1 Conformer: "" Number of residues, atoms: 91, 445 Classifications: {'peptide': 91} Incomplete info: {'truncation_to_alanine': 76} Link IDs: {'PTRANS': 3, 'TRANS': 87} Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 304 Unresolved non-hydrogen angles: 395 Unresolved non-hydrogen dihedrals: 258 Unresolved non-hydrogen chiralities: 23 Planarities with less than four sites: {'GLN:plan1': 4, 'ASP:plan': 5, 'TYR:plan': 5, 'ASN:plan1': 3, 'TRP:plan': 2, 'HIS:plan': 3, 'PHE:plan': 3, 'GLU:plan': 11, 'ARG:plan': 4} Unresolved non-hydrogen planarities: 190 Chain: "u" Number of atoms: 1907 Number of conformers: 1 Conformer: "" Number of residues, atoms: 386, 1907 Classifications: {'peptide': 386} Incomplete info: {'truncation_to_alanine': 342} Link IDs: {'PTRANS': 12, 'TRANS': 373} Unresolved chain link angles: 12 Unresolved non-hydrogen bonds: 1244 Unresolved non-hydrogen angles: 1586 Unresolved non-hydrogen dihedrals: 1012 Unresolved non-hydrogen chiralities: 122 Planarities with less than four sites: {'GLN:plan1': 20, 'HIS:plan': 5, 'TYR:plan': 13, 'ASN:plan1': 12, 'TRP:plan': 3, 'ASP:plan': 27, 'PHE:plan': 14, 'GLU:plan': 27, 'ARG:plan': 30} Unresolved non-hydrogen planarities: 682 Chain: "x" Number of atoms: 124 Number of conformers: 1 Conformer: "" Number of residues, atoms: 25, 124 Classifications: {'peptide': 25} Incomplete info: {'truncation_to_alanine': 23} Link IDs: {'PTRANS': 2, 'TRANS': 22} Unresolved chain link angles: 2 Unresolved non-hydrogen bonds: 98 Unresolved non-hydrogen angles: 124 Unresolved non-hydrogen dihedrals: 83 Unresolved non-hydrogen chiralities: 4 Planarities with less than four sites: {'HIS:plan': 1, 'TYR:plan': 1, 'ASN:plan1': 1, 'ASP:plan': 5, 'PHE:plan': 2, 'GLU:plan': 2, 'ARG:plan': 3} Unresolved non-hydrogen planarities: 65 Chain: "3" Number of atoms: 230 Number of conformers: 1 Conformer: "" Number of residues, atoms: 30, 230 Classifications: {'peptide': 30} Link IDs: {'PTRANS': 1, 'TRANS': 28} Chain: "A" Number of atoms: 36 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 36 Unusual residues: {'IHP': 1} Classifications: {'undetermined': 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: "F" Number of atoms: 6 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 6 Unusual residues: {' MG': 6} Classifications: {'undetermined': 6} Link IDs: {None: 5} Chain: "N" 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: "O" 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: "Q" Number of atoms: 33 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 33 Unusual residues: {' MG': 2, 'ATP': 1} Classifications: {'undetermined': 3} Link IDs: {None: 2} Chain: "1" 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 57456 SG CYS N 105 68.923 179.922 118.079 1.00 47.34 S ATOM 57550 SG CYS N 117 69.149 176.486 116.442 1.00 48.90 S ATOM 57683 SG CYS N 134 68.197 176.261 119.835 1.00 56.23 S ATOM 57431 SG CYS N 102 69.346 183.274 120.328 1.00 50.90 S ATOM 57456 SG CYS N 105 68.923 179.922 118.079 1.00 47.34 S ATOM 57706 SG CYS N 137 66.451 181.572 121.392 1.00 54.91 S ATOM 57425 SG CYS N 101 64.170 182.306 118.689 1.00 52.08 S ATOM 57564 SG CYS N 119 65.129 178.276 116.186 1.00 50.52 S ATOM 57737 SG CYS N 142 63.450 181.212 115.461 1.00 54.53 S ATOM 57791 SG CYS O 24 76.625 144.229 120.323 1.00 55.59 S ATOM 57813 SG CYS O 27 75.780 148.528 121.558 1.00 53.59 S ATOM 58256 SG CYS O 81 79.110 147.237 121.296 1.00 54.08 S ATOM 58278 SG CYS O 84 75.185 145.644 123.338 1.00 55.92 S ATOM 57962 SG CYS O 45 89.573 151.097 130.349 1.00 50.36 S ATOM 57985 SG CYS O 48 92.709 149.665 129.915 1.00 52.73 S ATOM 58181 SG CYS O 71 91.493 149.619 126.495 1.00 50.95 S ATOM 58203 SG CYS O 74 88.963 147.679 127.942 1.00 49.99 S ATOM 58924 SG CYS O 165 62.440 163.292 134.832 1.00 86.47 S ATOM 58990 SG CYS O 173 60.084 166.279 134.235 1.00 90.25 S ATOM 59038 SG CYS O 179 62.144 164.675 131.123 1.00 81.02 S ATOM A016Z SG CYS 1 120 103.260 233.422 126.833 1.00 32.50 S ATOM A019P SG CYS 1 133 101.189 230.278 127.210 1.00 20.76 S Residues with excluded nonbonded symmetry interactions: 7 residue: pdb=" N HIS D1502 " occ=0.92 ... (3 atoms not shown) pdb=" CB HIS D1502 " occ=0.92 residue: pdb=" N MET Q 79 " occ=0.50 ... (3 atoms not shown) pdb=" CB MET Q 79 " occ=0.50 residue: pdb=" N MET Q 326 " occ=0.58 ... (3 atoms not shown) pdb=" CB MET Q 326 " occ=0.58 residue: pdb=" N AARG Y 668 " occ=0.45 ... (8 atoms not shown) pdb=" CB BARG Y 668 " occ=0.55 residue: pdb=" N AMET Y 683 " occ=0.49 ... (8 atoms not shown) pdb=" CB BMET Y 683 " occ=0.51 residue: pdb=" N AGLN Y1030 " occ=0.50 ... (8 atoms not shown) pdb=" CB BGLN Y1030 " occ=0.50 residue: pdb=" N AGLU Y1039 " occ=0.54 ... (8 atoms not shown) pdb=" CB BGLU Y1039 " occ=0.46 Time building chain proxies: 44.62, per 1000 atoms: 0.42 Number of scatterers: 106538 At special positions: 0 Unit cell: (240.84, 325.134, 349.218, 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 7 29.99 S 336 16.00 P 430 15.00 Mg 9 11.99 O 21373 8.00 N 19565 7.00 C 64818 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=1, symmetry=0 Simple disulfide: pdb=" SG CYS C 256 " - pdb=" SG CYS C 308 " 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=2, symmetry=0 Number of additional bonds: simple=2, symmetry=0 Coordination: Other bonds: Time building additional restraints: 31.87 Conformation dependent library (CDL) restraints added in 17.1 seconds Dynamic metal coordination Zn2+ tetrahedral coordination pdb=" ZN 1 601 " pdb="ZN ZN 1 601 " - pdb=" SG CYS 1 120 " pdb="ZN ZN 1 601 " - pdb=" SG CYS 1 133 " pdb="ZN ZN 1 601 " - pdb=" NE2 HIS 1 128 " pdb=" ZN N 201 " pdb="ZN ZN N 201 " - pdb=" SG CYS N 134 " pdb="ZN ZN N 201 " - pdb=" SG CYS N 105 " pdb="ZN ZN N 201 " - pdb=" SG CYS N 117 " pdb=" ZN N 202 " pdb="ZN ZN N 202 " - pdb=" SG CYS N 105 " pdb="ZN ZN N 202 " - pdb=" SG CYS N 137 " pdb="ZN ZN N 202 " - pdb=" SG CYS N 102 " pdb=" ZN N 203 " pdb="ZN ZN N 203 " - pdb=" SG CYS N 119 " pdb="ZN ZN N 203 " - pdb=" SG CYS N 142 " pdb="ZN ZN N 203 " - pdb=" SG CYS N 101 " pdb=" ZN O 501 " pdb="ZN ZN O 501 " - pdb=" SG CYS O 81 " pdb="ZN ZN O 501 " - pdb=" SG CYS O 27 " pdb="ZN ZN O 501 " - pdb=" SG CYS O 84 " pdb="ZN ZN O 501 " - pdb=" SG CYS O 24 " pdb=" ZN O 502 " pdb="ZN ZN O 502 " - pdb=" SG CYS O 71 " pdb="ZN ZN O 502 " - pdb=" SG CYS O 48 " pdb="ZN ZN O 502 " - pdb=" SG CYS O 45 " pdb="ZN ZN O 502 " - pdb=" SG CYS O 74 " pdb=" ZN O 503 " pdb="ZN ZN O 503 " - pdb=" NE2 HIS O 183 " pdb="ZN ZN O 503 " - pdb=" SG CYS O 179 " pdb="ZN ZN O 503 " - pdb=" SG CYS O 173 " pdb="ZN ZN O 503 " - pdb=" SG CYS O 165 " Number of angles added : 15 28752 Ramachandran restraints generated. 14376 Oldfield, 0 Emsley, 14376 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 27778 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: 530 helices and 104 sheets defined 50.4% alpha, 13.3% beta 86 base pairs and 182 stacking pairs defined. Time for finding SS restraints: 83.90 Creating SS restraints... Processing helix chain 'A' and resid 26 through 46 removed outlier: 3.514A pdb=" N GLN A 31 " --> pdb=" O GLU A 27 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N LYS A 36 " --> pdb=" O GLU A 32 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N LYS A 43 " --> pdb=" O GLN A 39 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N ALA A 46 " --> pdb=" O ALA A 42 " (cutoff:3.500A) Processing helix chain 'A' and resid 62 through 74 removed outlier: 4.432A pdb=" N VAL A 66 " --> pdb=" O PRO A 62 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N ARG A 67 " --> pdb=" O PRO A 63 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N ILE A 69 " --> pdb=" O HIS A 65 " (cutoff:3.500A) Processing helix chain 'A' and resid 78 through 83 removed outlier: 4.333A pdb=" N ARG A 82 " --> pdb=" O ASN A 78 " (cutoff:3.500A) removed outlier: 5.402A pdb=" N HIS A 83 " --> pdb=" O ARG A 79 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 78 through 83' Processing helix chain 'A' and resid 84 through 95 removed outlier: 3.629A pdb=" N LEU A 89 " --> pdb=" O LYS A 85 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N LEU A 92 " --> pdb=" O TYR A 88 " (cutoff:3.500A) removed outlier: 4.939A pdb=" N LYS A 93 " --> pdb=" O LEU A 89 " (cutoff:3.500A) removed outlier: 4.818A pdb=" N TYR A 94 " --> pdb=" O GLY A 90 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N MET A 95 " --> pdb=" O ALA A 91 " (cutoff:3.500A) Processing helix chain 'A' and resid 96 through 106 removed outlier: 3.638A pdb=" N LYS A 101 " --> pdb=" O HIS A 97 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N ASN A 105 " --> pdb=" O LYS A 101 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N MET A 106 " --> pdb=" O LEU A 102 " (cutoff:3.500A) Processing helix chain 'A' and resid 136 through 159 removed outlier: 3.694A pdb=" N MET A 147 " --> pdb=" O GLN A 143 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N ARG A 152 " --> pdb=" O TRP A 148 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N ARG A 153 " --> pdb=" O ILE A 149 " (cutoff:3.500A) removed outlier: 5.561A pdb=" N ARG A 159 " --> pdb=" O LYS A 155 " (cutoff:3.500A) Processing helix chain 'A' and resid 180 through 185 removed outlier: 5.427A pdb=" N ASP A 184 " --> pdb=" O ASP A 180 " (cutoff:3.500A) removed outlier: 4.164A pdb=" N VAL A 185 " --> pdb=" O ASN A 181 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 180 through 185' Processing helix chain 'A' and resid 231 through 243 removed outlier: 3.621A pdb=" N THR A 237 " --> pdb=" O PRO A 233 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N ASN A 243 " --> pdb=" O TYR A 239 " (cutoff:3.500A) Processing helix chain 'A' and resid 259 through 270 Processing helix chain 'A' and resid 298 through 303 removed outlier: 3.602A pdb=" N ILE A 302 " --> pdb=" O ASP A 298 " (cutoff:3.500A) removed outlier: 6.090A pdb=" N ILE A 303 " --> pdb=" O ILE A 299 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 298 through 303' Processing helix chain 'A' and resid 309 through 317 removed outlier: 3.762A pdb=" N LYS A 313 " --> pdb=" O ARG A 309 " (cutoff:3.500A) Proline residue: A 317 - end of helix Processing helix chain 'A' and resid 395 through 407 removed outlier: 4.573A pdb=" N ALA A 399 " --> pdb=" O THR A 395 " (cutoff:3.500A) removed outlier: 4.496A pdb=" N ASN A 400 " --> pdb=" O ASP A 396 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N ALA A 403 " --> pdb=" O ALA A 399 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEU A 404 " --> pdb=" O ASN A 400 " (cutoff:3.500A) removed outlier: 4.202A pdb=" N LEU A 405 " --> pdb=" O GLY A 401 " (cutoff:3.500A) removed outlier: 4.057A pdb=" N TRP A 406 " --> pdb=" O ILE A 402 " (cutoff:3.500A) removed outlier: 4.199A pdb=" N ALA A 407 " --> pdb=" O ALA A 403 " (cutoff:3.500A) Processing helix chain 'A' and resid 408 through 413 removed outlier: 3.637A pdb=" N ASN A 412 " --> pdb=" O PRO A 408 " (cutoff:3.500A) removed outlier: 4.846A pdb=" N LEU A 413 " --> pdb=" O ARG A 409 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 408 through 413' Processing helix chain 'A' and resid 420 through 425 removed outlier: 3.723A pdb=" N ILE A 424 " --> pdb=" O ARG A 420 " (cutoff:3.500A) Proline residue: A 425 - end of helix No H-bonds generated for 'chain 'A' and resid 420 through 425' Processing helix chain 'A' and resid 427 through 433 removed outlier: 3.658A pdb=" N TYR A 431 " --> pdb=" O VAL A 427 " (cutoff:3.500A) removed outlier: 3.940A pdb=" N ARG A 432 " --> pdb=" O LYS A 428 " (cutoff:3.500A) removed outlier: 4.752A pdb=" N GLU A 433 " --> pdb=" O ASN A 429 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 427 through 433' Processing helix chain 'A' and resid 440 through 461 removed outlier: 3.984A pdb=" N SER A 446 " --> pdb=" O LYS A 442 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N ALA A 458 " --> pdb=" O TYR A 454 " (cutoff:3.500A) Processing helix chain 'A' and resid 471 through 480 removed outlier: 4.152A pdb=" N SER A 475 " --> pdb=" O TYR A 471 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N THR A 479 " --> pdb=" O SER A 475 " (cutoff:3.500A) removed outlier: 5.595A pdb=" N LYS A 480 " --> pdb=" O PHE A 476 " (cutoff:3.500A) Processing helix chain 'A' and resid 488 through 512 removed outlier: 3.515A pdb=" N CYS A 497 " --> pdb=" O GLY A 493 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N MET A 503 " --> pdb=" O GLN A 499 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N LYS A 511 " --> pdb=" O LEU A 507 " (cutoff:3.500A) Processing helix chain 'A' and resid 531 through 539 removed outlier: 3.543A pdb=" N LYS A 537 " --> pdb=" O LYS A 533 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N SER A 538 " --> pdb=" O GLU A 534 " (cutoff:3.500A) Processing helix chain 'A' and resid 541 through 567 removed outlier: 3.803A pdb=" N CYS A 547 " --> pdb=" O ALA A 543 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N LEU A 553 " --> pdb=" O GLU A 549 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N VAL A 557 " --> pdb=" O LEU A 553 " (cutoff:3.500A) removed outlier: 4.051A pdb=" N VAL A 558 " --> pdb=" O THR A 554 " (cutoff:3.500A) Processing helix chain 'A' and resid 570 through 585 removed outlier: 4.209A pdb=" N LEU A 574 " --> pdb=" O ASP A 570 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N ALA A 575 " --> pdb=" O ALA A 571 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N ALA A 583 " --> pdb=" O GLN A 579 " (cutoff:3.500A) Processing helix chain 'A' and resid 590 through 596 removed outlier: 5.001A pdb=" N TYR A 594 " --> pdb=" O GLY A 590 " (cutoff:3.500A) Processing helix chain 'A' and resid 597 through 617 removed outlier: 4.319A pdb=" N GLN A 601 " --> pdb=" O LYS A 597 " (cutoff:3.500A) Processing helix chain 'A' and resid 631 through 660 removed outlier: 3.508A pdb=" N ARG A 635 " --> pdb=" O ALA A 631 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N VAL A 636 " --> pdb=" O ALA A 632 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N TRP A 637 " --> pdb=" O GLY A 633 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N LEU A 638 " --> pdb=" O TRP A 634 " (cutoff:3.500A) removed outlier: 3.977A pdb=" N MET A 641 " --> pdb=" O TRP A 637 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N GLY A 643 " --> pdb=" O PHE A 639 " (cutoff:3.500A) Proline residue: A 646 - end of helix removed outlier: 3.786A pdb=" N GLY A 653 " --> pdb=" O GLU A 649 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N ALA A 657 " --> pdb=" O GLY A 653 " (cutoff:3.500A) Processing helix chain 'A' and resid 676 through 697 removed outlier: 3.554A pdb=" N ASP A 682 " --> pdb=" O GLU A 678 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N ARG A 686 " --> pdb=" O ASP A 682 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N ALA A 687 " --> pdb=" O LEU A 683 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N ALA A 688 " --> pdb=" O GLU A 684 " (cutoff:3.500A) removed outlier: 4.208A pdb=" N ASP A 692 " --> pdb=" O ALA A 688 " (cutoff:3.500A) removed outlier: 4.026A pdb=" N LEU A 694 " --> pdb=" O MET A 690 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ASP A 695 " --> pdb=" O HIS A 691 " (cutoff:3.500A) removed outlier: 4.721A pdb=" N MET A 697 " --> pdb=" O ILE A 693 " (cutoff:3.500A) Processing helix chain 'A' and resid 705 through 723 removed outlier: 3.710A pdb=" N LEU A 710 " --> pdb=" O ALA A 706 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLN A 711 " --> pdb=" O ARG A 707 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N HIS A 712 " --> pdb=" O THR A 708 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N TRP A 717 " --> pdb=" O LEU A 713 " (cutoff:3.500A) removed outlier: 4.318A pdb=" N ARG A 718 " --> pdb=" O SER A 714 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N ASN A 723 " --> pdb=" O CYS A 719 " (cutoff:3.500A) Processing helix chain 'A' and resid 732 through 764 removed outlier: 3.510A pdb=" N LEU A 740 " --> pdb=" O GLU A 736 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N ALA A 754 " --> pdb=" O TRP A 750 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N TYR A 756 " --> pdb=" O ASN A 752 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N ARG A 758 " --> pdb=" O ALA A 754 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N GLU A 759 " --> pdb=" O HIS A 755 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLY A 764 " --> pdb=" O ARG A 760 " (cutoff:3.500A) Processing helix chain 'A' and resid 768 through 798 removed outlier: 3.864A pdb=" N CYS A 772 " --> pdb=" O ASP A 768 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N LYS A 773 " --> pdb=" O LYS A 769 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N THR A 780 " --> pdb=" O LEU A 776 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N ARG A 781 " --> pdb=" O GLY A 777 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N LEU A 795 " --> pdb=" O GLN A 791 " (cutoff:3.500A) Processing helix chain 'A' and resid 802 through 821 removed outlier: 3.778A pdb=" N ALA A 806 " --> pdb=" O THR A 802 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N VAL A 807 " --> pdb=" O ALA A 803 " (cutoff:3.500A) removed outlier: 3.934A pdb=" N ALA A 808 " --> pdb=" O GLU A 804 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N VAL A 814 " --> pdb=" O TYR A 810 " (cutoff:3.500A) Processing helix chain 'A' and resid 834 through 851 removed outlier: 3.819A pdb=" N GLU A 848 " --> pdb=" O GLU A 844 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N ALA A 849 " --> pdb=" O ARG A 845 " (cutoff:3.500A) removed outlier: 4.617A pdb=" N TYR A 850 " --> pdb=" O LEU A 846 " (cutoff:3.500A) removed outlier: 4.588A pdb=" N SER A 851 " --> pdb=" O LYS A 847 " (cutoff:3.500A) Processing helix chain 'A' and resid 857 through 874 removed outlier: 3.947A pdb=" N ILE A 867 " --> pdb=" O GLU A 863 " (cutoff:3.500A) removed outlier: 3.829A pdb=" N GLU A 868 " --> pdb=" O LEU A 864 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N GLN A 869 " --> pdb=" O GLY A 865 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N ALA A 870 " --> pdb=" O LEU A 866 " (cutoff:3.500A) Proline residue: A 874 - end of helix Processing helix chain 'A' and resid 875 through 887 removed outlier: 3.660A pdb=" N LEU A 886 " --> pdb=" O LYS A 882 " (cutoff:3.500A) Processing helix chain 'A' and resid 913 through 934 removed outlier: 3.905A pdb=" N ILE A 917 " --> pdb=" O PRO A 913 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N THR A 918 " --> pdb=" O LEU A 914 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N GLN A 924 " --> pdb=" O ALA A 920 " (cutoff:3.500A) Processing helix chain 'A' and resid 947 through 962 removed outlier: 3.561A pdb=" N VAL A 952 " --> pdb=" O PRO A 948 " (cutoff:3.500A) removed outlier: 4.003A pdb=" N TYR A 953 " --> pdb=" O PRO A 949 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N LEU A 962 " --> pdb=" O GLY A 958 " (cutoff:3.500A) Processing helix chain 'A' and resid 983 through 988 removed outlier: 4.232A pdb=" N LYS A 987 " --> pdb=" O LYS A 983 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ILE A 988 " --> pdb=" O MET A 984 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 983 through 988' Processing helix chain 'A' and resid 989 through 1001 removed outlier: 3.887A pdb=" N ARG A 995 " --> pdb=" O THR A 991 " (cutoff:3.500A) removed outlier: 3.868A pdb=" N LEU A 999 " --> pdb=" O ARG A 995 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N ILE A1000 " --> pdb=" O LEU A 996 " (cutoff:3.500A) Processing helix chain 'A' and resid 1002 through 1015 removed outlier: 3.869A pdb=" N ASN A1013 " --> pdb=" O MET A1009 " (cutoff:3.500A) removed outlier: 3.935A pdb=" N ASN A1014 " --> pdb=" O THR A1010 " (cutoff:3.500A) removed outlier: 4.811A pdb=" N VAL A1015 " --> pdb=" O ALA A1011 " (cutoff:3.500A) Processing helix chain 'A' and resid 1036 through 1053 removed outlier: 3.704A pdb=" N ILE A1040 " --> pdb=" O PHE A1036 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N LEU A1046 " --> pdb=" O GLN A1042 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEU A1050 " --> pdb=" O LEU A1046 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N VAL A1052 " --> pdb=" O MET A1048 " (cutoff:3.500A) Processing helix chain 'A' and resid 1054 through 1063 Processing helix chain 'A' and resid 1076 through 1083 removed outlier: 3.787A pdb=" N ALA A1082 " --> pdb=" O ALA A1078 " (cutoff:3.500A) removed outlier: 4.937A pdb=" N HIS A1083 " --> pdb=" O THR A1079 " (cutoff:3.500A) Processing helix chain 'A' and resid 1102 through 1118 removed outlier: 3.665A pdb=" N GLU A1116 " --> pdb=" O ARG A1112 " (cutoff:3.500A) Proline residue: A1118 - end of helix Processing helix chain 'A' and resid 1123 through 1128 removed outlier: 4.617A pdb=" N GLY A1127 " --> pdb=" O GLU A1123 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N TYR A1128 " --> pdb=" O ASN A1124 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1123 through 1128' Processing helix chain 'A' and resid 1135 through 1140 removed outlier: 5.497A pdb=" N MET A1140 " --> pdb=" O ARG A1136 " (cutoff:3.500A) Processing helix chain 'A' and resid 1143 through 1162 removed outlier: 3.882A pdb=" N ASN A1148 " --> pdb=" O LYS A1144 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N ALA A1152 " --> pdb=" O ASN A1148 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N ASN A1159 " --> pdb=" O TRP A1155 " (cutoff:3.500A) removed outlier: 4.173A pdb=" N ARG A1160 " --> pdb=" O ASP A1156 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N LEU A1161 " --> pdb=" O ILE A1157 " (cutoff:3.500A) Proline residue: A1162 - end of helix Processing helix chain 'A' and resid 1233 through 1252 removed outlier: 3.536A pdb=" N GLN A1238 " --> pdb=" O ASP A1234 " (cutoff:3.500A) removed outlier: 4.011A pdb=" N PHE A1240 " --> pdb=" O SER A1236 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ARG A1243 " --> pdb=" O ARG A1239 " (cutoff:3.500A) removed outlier: 5.159A pdb=" N GLY A1252 " --> pdb=" O LEU A1248 " (cutoff:3.500A) Processing helix chain 'A' and resid 1255 through 1275 removed outlier: 3.594A pdb=" N ILE A1259 " --> pdb=" O THR A1255 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N LYS A1262 " --> pdb=" O LYS A1258 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N LEU A1270 " --> pdb=" O ALA A1266 " (cutoff:3.500A) removed outlier: 3.702A pdb=" N THR A1272 " --> pdb=" O ILE A1268 " (cutoff:3.500A) removed outlier: 4.135A pdb=" N TYR A1273 " --> pdb=" O GLY A1269 " (cutoff:3.500A) Processing helix chain 'A' and resid 1276 through 1282 removed outlier: 4.216A pdb=" N ASN A1280 " --> pdb=" O GLU A1276 " (cutoff:3.500A) removed outlier: 5.279A pdb=" N GLN A1282 " --> pdb=" O VAL A1278 " (cutoff:3.500A) Processing helix chain 'A' and resid 1283 through 1304 removed outlier: 3.621A pdb=" N VAL A1289 " --> pdb=" O LEU A1285 " (cutoff:3.500A) removed outlier: 4.319A pdb=" N ILE A1295 " --> pdb=" O CYS A1291 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ILE A1299 " --> pdb=" O ILE A1295 " (cutoff:3.500A) removed outlier: 3.906A pdb=" N ASN A1304 " --> pdb=" O LYS A1300 " (cutoff:3.500A) Processing helix chain 'A' and resid 1307 through 1312 Proline residue: A1312 - end of helix Processing helix chain 'A' and resid 1313 through 1318 removed outlier: 3.959A pdb=" N THR A1318 " --> pdb=" O VAL A1314 " (cutoff:3.500A) Processing helix chain 'A' and resid 1367 through 1373 removed outlier: 3.910A pdb=" N TYR A1371 " --> pdb=" O ASN A1367 " (cutoff:3.500A) removed outlier: 5.348A pdb=" N GLN A1373 " --> pdb=" O TYR A1369 " (cutoff:3.500A) Processing helix chain 'A' and resid 1374 through 1400 removed outlier: 3.811A pdb=" N ILE A1380 " --> pdb=" O GLU A1376 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN A1383 " --> pdb=" O PHE A1379 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N ALA A1387 " --> pdb=" O GLN A1383 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N LEU A1391 " --> pdb=" O ALA A1387 " (cutoff:3.500A) Processing helix chain 'A' and resid 1404 through 1410 removed outlier: 6.453A pdb=" N LEU A1408 " --> pdb=" O THR A1404 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N GLU A1409 " --> pdb=" O LEU A1405 " (cutoff:3.500A) removed outlier: 4.921A pdb=" N ASP A1410 " --> pdb=" O GLU A1406 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1404 through 1410' Processing helix chain 'A' and resid 1418 through 1424 removed outlier: 4.728A pdb=" N LEU A1422 " --> pdb=" O ARG A1418 " (cutoff:3.500A) removed outlier: 4.811A pdb=" N PHE A1423 " --> pdb=" O ILE A1419 " (cutoff:3.500A) removed outlier: 4.470A pdb=" N GLN A1424 " --> pdb=" O ASN A1420 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1418 through 1424' Processing helix chain 'A' and resid 1426 through 1434 removed outlier: 3.893A pdb=" N ALA A1431 " --> pdb=" O ARG A1427 " (cutoff:3.500A) removed outlier: 4.659A pdb=" N TYR A1432 " --> pdb=" O HIS A1428 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N ASP A1433 " --> pdb=" O THR A1429 " (cutoff:3.500A) removed outlier: 5.522A pdb=" N LYS A1434 " --> pdb=" O LEU A1430 " (cutoff:3.500A) Processing helix chain 'A' and resid 1435 through 1447 removed outlier: 4.014A pdb=" N ARG A1439 " --> pdb=" O GLY A1435 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N THR A1440 " --> pdb=" O TRP A1436 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N ASP A1441 " --> pdb=" O ARG A1437 " (cutoff:3.500A) removed outlier: 4.604A pdb=" N GLN A1444 " --> pdb=" O THR A1440 " (cutoff:3.500A) removed outlier: 4.940A pdb=" N TYR A1445 " --> pdb=" O ASP A1441 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N GLN A1446 " --> pdb=" O PHE A1442 " (cutoff:3.500A) Processing helix chain 'A' and resid 1467 through 1479 removed outlier: 4.039A pdb=" N ARG A1471 " --> pdb=" O LEU A1467 " (cutoff:3.500A) removed outlier: 3.983A pdb=" N THR A1472 " --> pdb=" O ASN A1468 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N GLN A1476 " --> pdb=" O THR A1472 " (cutoff:3.500A) Processing helix chain 'A' and resid 1480 through 1489 removed outlier: 4.431A pdb=" N GLU A1486 " --> pdb=" O GLU A1482 " (cutoff:3.500A) removed outlier: 4.672A pdb=" N HIS A1487 " --> pdb=" O GLY A1483 " (cutoff:3.500A) removed outlier: 4.239A pdb=" N THR A1488 " --> pdb=" O ILE A1484 " (cutoff:3.500A) removed outlier: 5.376A pdb=" N LEU A1489 " --> pdb=" O LEU A1485 " (cutoff:3.500A) Processing helix chain 'A' and resid 1520 through 1539 removed outlier: 4.156A pdb=" N SER A1524 " --> pdb=" O ASN A1520 " (cutoff:3.500A) removed outlier: 3.912A pdb=" N GLY A1525 " --> pdb=" O ALA A1521 " (cutoff:3.500A) removed outlier: 3.954A pdb=" N LEU A1526 " --> pdb=" O GLN A1522 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N ILE A1529 " --> pdb=" O GLY A1525 " (cutoff:3.500A) Proline residue: A1530 - end of helix removed outlier: 3.873A pdb=" N ARG A1533 " --> pdb=" O ILE A1529 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N LEU A1536 " --> pdb=" O ARG A1532 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N TRP A1537 " --> pdb=" O ARG A1533 " (cutoff:3.500A) Processing helix chain 'A' and resid 1566 through 1578 removed outlier: 3.952A pdb=" N LYS A1570 " --> pdb=" O ILE A1566 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N ILE A1571 " --> pdb=" O PRO A1567 " (cutoff:3.500A) Processing helix chain 'A' and resid 1580 through 1605 removed outlier: 3.883A pdb=" N GLN A1599 " --> pdb=" O GLN A1595 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLU A1600 " --> pdb=" O VAL A1596 " (cutoff:3.500A) removed outlier: 6.229A pdb=" N ASP A1602 " --> pdb=" O ASP A1598 " (cutoff:3.500A) removed outlier: 6.559A pdb=" N ALA A1603 " --> pdb=" O GLN A1599 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N LEU A1604 " --> pdb=" O GLU A1600 " (cutoff:3.500A) removed outlier: 4.326A pdb=" N GLU A1605 " --> pdb=" O LEU A1601 " (cutoff:3.500A) Processing helix chain 'A' and resid 1675 through 1689 removed outlier: 4.282A pdb=" N TYR A1679 " --> pdb=" O ASP A1675 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N ALA A1680 " --> pdb=" O ILE A1676 " (cutoff:3.500A) removed outlier: 4.541A pdb=" N ARG A1681 " --> pdb=" O GLU A1677 " (cutoff:3.500A) removed outlier: 4.242A pdb=" N ALA A1682 " --> pdb=" O ARG A1678 " (cutoff:3.500A) removed outlier: 4.128A pdb=" N LYS A1683 " --> pdb=" O TYR A1679 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE A1684 " --> pdb=" O ALA A1680 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N LEU A1685 " --> pdb=" O ARG A1681 " (cutoff:3.500A) Processing helix chain 'A' and resid 1721 through 1736 removed outlier: 4.807A pdb=" N LEU A1725 " --> pdb=" O GLY A1721 " (cutoff:3.500A) Processing helix chain 'A' and resid 1737 through 1752 removed outlier: 4.649A pdb=" N VAL A1742 " --> pdb=" O PRO A1738 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ARG A1748 " --> pdb=" O ARG A1744 " (cutoff:3.500A) Processing helix chain 'A' and resid 1767 through 1773 removed outlier: 4.884A pdb=" N LEU A1771 " --> pdb=" O ASN A1767 " (cutoff:3.500A) removed outlier: 5.090A pdb=" N PHE A1772 " --> pdb=" O TYR A1768 " (cutoff:3.500A) removed outlier: 4.052A pdb=" N SER A1773 " --> pdb=" O GLY A1769 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1767 through 1773' Processing helix chain 'A' and resid 1834 through 1853 removed outlier: 3.825A pdb=" N TRP A1839 " --> pdb=" O GLN A1835 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N ALA A1842 " --> pdb=" O LYS A1838 " (cutoff:3.500A) Proline residue: A1853 - end of helix Processing helix chain 'A' and resid 1868 through 1877 removed outlier: 3.591A pdb=" N LEU A1877 " --> pdb=" O GLU A1873 " (cutoff:3.500A) Processing helix chain 'A' and resid 1892 through 1899 removed outlier: 3.688A pdb=" N CYS A1896 " --> pdb=" O PRO A1892 " (cutoff:3.500A) removed outlier: 4.179A pdb=" N LEU A1897 " --> pdb=" O PHE A1893 " (cutoff:3.500A) removed outlier: 4.062A pdb=" N LYS A1898 " --> pdb=" O GLN A1894 " (cutoff:3.500A) removed outlier: 4.106A pdb=" N VAL A1899 " --> pdb=" O ALA A1895 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1892 through 1899' Processing helix chain 'A' and resid 1900 through 1909 removed outlier: 3.748A pdb=" N ILE A1906 " --> pdb=" O PHE A1902 " (cutoff:3.500A) removed outlier: 4.564A pdb=" N LEU A1907 " --> pdb=" O GLY A1903 " (cutoff:3.500A) Processing helix chain 'A' and resid 1922 through 1927 removed outlier: 4.388A pdb=" N THR A1926 " --> pdb=" O ASP A1922 " (cutoff:3.500A) Processing helix chain 'A' and resid 1928 through 1946 removed outlier: 3.579A pdb=" N LEU A1938 " --> pdb=" O SER A1934 " (cutoff:3.500A) Processing helix chain 'A' and resid 1947 through 1956 removed outlier: 4.573A pdb=" N LYS A1951 " --> pdb=" O ASN A1947 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N VAL A1952 " --> pdb=" O ASP A1948 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N ILE A1953 " --> pdb=" O ARG A1949 " (cutoff:3.500A) Proline residue: A1956 - end of helix Processing helix chain 'A' and resid 1972 through 1996 removed outlier: 3.975A pdb=" N LYS A1993 " --> pdb=" O ALA A1989 " (cutoff:3.500A) removed outlier: 4.210A pdb=" N LYS A1994 " --> pdb=" O ASP A1990 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N ASN A1995 " --> pdb=" O TYR A1991 " (cutoff:3.500A) removed outlier: 4.770A pdb=" N ASN A1996 " --> pdb=" O GLY A1992 " (cutoff:3.500A) Processing helix chain 'A' and resid 2003 through 2013 removed outlier: 3.611A pdb=" N ILE A2010 " --> pdb=" O GLU A2006 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N GLY A2013 " --> pdb=" O ASP A2009 " (cutoff:3.500A) Processing helix chain 'A' and resid 2070 through 2090 removed outlier: 3.666A pdb=" N ARG A2074 " --> pdb=" O LYS A2070 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ARG A2076 " --> pdb=" O GLU A2072 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N ALA A2081 " --> pdb=" O ALA A2077 " (cutoff:3.500A) removed outlier: 4.452A pdb=" N ASN A2082 " --> pdb=" O ILE A2078 " (cutoff:3.500A) removed outlier: 4.244A pdb=" N LEU A2083 " --> pdb=" O SER A2079 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N HIS A2084 " --> pdb=" O ALA A2080 " (cutoff:3.500A) removed outlier: 6.162A pdb=" N LEU A2085 " --> pdb=" O ALA A2081 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ARG A2086 " --> pdb=" O ASN A2082 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N THR A2087 " --> pdb=" O LEU A2083 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N ASN A2088 " --> pdb=" O HIS A2084 " (cutoff:3.500A) removed outlier: 4.385A pdb=" N HIS A2089 " --> pdb=" O LEU A2085 " (cutoff:3.500A) removed outlier: 4.593A pdb=" N ILE A2090 " --> pdb=" O ARG A2086 " (cutoff:3.500A) Processing helix chain 'A' and resid 2107 through 2119 removed outlier: 3.674A pdb=" N LEU A2111 " --> pdb=" O PRO A2107 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N SER A2118 " --> pdb=" O PHE A2114 " (cutoff:3.500A) removed outlier: 5.410A pdb=" N ASP A2119 " --> pdb=" O ILE A2115 " (cutoff:3.500A) Processing helix chain 'A' and resid 2166 through 2171 removed outlier: 4.457A pdb=" N GLU A2171 " --> pdb=" O GLU A2167 " (cutoff:3.500A) Processing helix chain 'A' and resid 2189 through 2203 removed outlier: 3.650A pdb=" N ASP A2202 " --> pdb=" O LYS A2198 " (cutoff:3.500A) Processing helix chain 'A' and resid 2231 through 2241 Processing helix chain 'A' and resid 2252 through 2257 removed outlier: 4.681A pdb=" N TYR A2256 " --> pdb=" O LEU A2252 " (cutoff:3.500A) removed outlier: 5.592A pdb=" N GLU A2257 " --> pdb=" O PRO A2253 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 2252 through 2257' Processing helix chain 'A' and resid 2284 through 2289 removed outlier: 4.129A pdb=" N HIS A2288 " --> pdb=" O MET A2284 " (cutoff:3.500A) removed outlier: 5.588A pdb=" N ASP A2289 " --> pdb=" O GLY A2285 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 2284 through 2289' Processing helix chain 'A' and resid 2306 through 2311 removed outlier: 3.786A pdb=" N ARG A2310 " --> pdb=" O HIS A2306 " (cutoff:3.500A) Proline residue: A2311 - end of helix No H-bonds generated for 'chain 'A' and resid 2306 through 2311' Processing helix chain 'A' and resid 2321 through 2326 removed outlier: 4.663A pdb=" N VAL A2325 " --> pdb=" O GLN A2321 " (cutoff:3.500A) removed outlier: 4.152A pdb=" N TYR A2326 " --> pdb=" O GLU A2322 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 2321 through 2326' Processing helix chain 'A' and resid 1514 through 1519 removed outlier: 4.955A pdb=" N LEU A1518 " --> pdb=" O TRP A1515 " (cutoff:3.500A) removed outlier: 4.950A pdb=" N THR A1519 " --> pdb=" O LYS A1516 " (cutoff:3.500A) Processing helix chain 'C' and resid 68 through 74 removed outlier: 3.773A pdb=" N VAL C 72 " --> pdb=" O THR C 68 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N TYR C 73 " --> pdb=" O ALA C 69 " (cutoff:3.500A) Processing helix chain 'C' and resid 113 through 126 removed outlier: 4.333A pdb=" N ASP C 117 " --> pdb=" O VAL C 113 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N ASP C 121 " --> pdb=" O ASP C 117 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N SER C 126 " --> pdb=" O LEU C 122 " (cutoff:3.500A) Processing helix chain 'C' and resid 141 through 154 removed outlier: 3.657A pdb=" N VAL C 146 " --> pdb=" O LYS C 142 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N GLU C 151 " --> pdb=" O ASP C 147 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N GLN C 152 " --> pdb=" O CYS C 148 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N THR C 153 " --> pdb=" O LEU C 149 " (cutoff:3.500A) Processing helix chain 'C' and resid 173 through 178 Processing helix chain 'C' and resid 208 through 222 removed outlier: 3.634A pdb=" N SER C 212 " --> pdb=" O HIS C 208 " (cutoff:3.500A) removed outlier: 5.556A pdb=" N ASP C 213 " --> pdb=" O VAL C 209 " (cutoff:3.500A) removed outlier: 6.270A pdb=" N GLU C 214 " --> pdb=" O ASN C 210 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N VAL C 215 " --> pdb=" O PHE C 211 " (cutoff:3.500A) removed outlier: 4.298A pdb=" N THR C 216 " --> pdb=" O SER C 212 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N ALA C 217 " --> pdb=" O ASP C 213 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLY C 218 " --> pdb=" O GLU C 214 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N ILE C 221 " --> pdb=" O ALA C 217 " (cutoff:3.500A) Processing helix chain 'C' and resid 236 through 250 removed outlier: 3.822A pdb=" N LYS C 244 " --> pdb=" O GLU C 240 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N ARG C 250 " --> pdb=" O ALA C 246 " (cutoff:3.500A) Processing helix chain 'C' and resid 259 through 265 removed outlier: 4.392A pdb=" N LEU C 263 " --> pdb=" O LYS C 259 " (cutoff:3.500A) removed outlier: 3.971A pdb=" N ILE C 264 " --> pdb=" O ILE C 260 " (cutoff:3.500A) Processing helix chain 'C' and resid 270 through 293 removed outlier: 3.666A pdb=" N TYR C 275 " --> pdb=" O PRO C 271 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N VAL C 282 " --> pdb=" O LEU C 278 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N GLY C 287 " --> pdb=" O ASP C 283 " (cutoff:3.500A) removed outlier: 3.829A pdb=" N SER C 290 " --> pdb=" O ASN C 286 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N TYR C 292 " --> pdb=" O LEU C 288 " (cutoff:3.500A) Processing helix chain 'C' and resid 319 through 331 removed outlier: 3.524A pdb=" N PHE C 323 " --> pdb=" O THR C 319 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ALA C 324 " --> pdb=" O LEU C 320 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N ILE C 326 " --> pdb=" O SER C 322 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N TYR C 327 " --> pdb=" O PHE C 323 " (cutoff:3.500A) Processing helix chain 'C' and resid 335 through 344 removed outlier: 4.247A pdb=" N ARG C 342 " --> pdb=" O GLU C 338 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N LEU C 343 " --> pdb=" O PHE C 339 " (cutoff:3.500A) removed outlier: 5.019A pdb=" N TRP C 344 " --> pdb=" O ALA C 340 " (cutoff:3.500A) Processing helix chain 'C' and resid 367 through 386 removed outlier: 3.587A pdb=" N PHE C 372 " --> pdb=" O SER C 368 " (cutoff:3.500A) removed outlier: 4.882A pdb=" N GLU C 375 " --> pdb=" O GLU C 371 " (cutoff:3.500A) Proline residue: C 376 - end of helix removed outlier: 3.505A pdb=" N LYS C 379 " --> pdb=" O GLU C 375 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N GLY C 386 " --> pdb=" O ALA C 382 " (cutoff:3.500A) Processing helix chain 'C' and resid 391 through 400 removed outlier: 3.857A pdb=" N THR C 395 " --> pdb=" O SER C 391 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ASP C 397 " --> pdb=" O PRO C 393 " (cutoff:3.500A) Processing helix chain 'C' and resid 404 through 410 removed outlier: 3.742A pdb=" N LEU C 408 " --> pdb=" O THR C 404 " (cutoff:3.500A) removed outlier: 4.419A pdb=" N LYS C 409 " --> pdb=" O LYS C 405 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N LEU C 410 " --> pdb=" O GLU C 406 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 404 through 410' Processing helix chain 'C' and resid 411 through 424 removed outlier: 3.932A pdb=" N ARG C 417 " --> pdb=" O ARG C 413 " (cutoff:3.500A) Processing helix chain 'C' and resid 427 through 437 removed outlier: 3.875A pdb=" N VAL C 431 " --> pdb=" O PHE C 427 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ASP C 432 " --> pdb=" O THR C 428 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N GLN C 436 " --> pdb=" O ASP C 432 " (cutoff:3.500A) Processing helix chain 'C' and resid 440 through 445 Processing helix chain 'C' and resid 446 through 453 removed outlier: 4.109A pdb=" N GLU C 450 " --> pdb=" O LYS C 446 " (cutoff:3.500A) removed outlier: 3.989A pdb=" N HIS C 451 " --> pdb=" O PRO C 447 " (cutoff:3.500A) Processing helix chain 'C' and resid 459 through 468 removed outlier: 5.829A pdb=" N GLU C 463 " --> pdb=" O SER C 459 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N ASP C 467 " --> pdb=" O GLU C 463 " (cutoff:3.500A) removed outlier: 4.104A pdb=" N CYS C 468 " --> pdb=" O ALA C 464 " (cutoff:3.500A) Processing helix chain 'C' and resid 599 through 615 removed outlier: 3.816A pdb=" N ASN C 611 " --> pdb=" O LEU C 607 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N LYS C 612 " --> pdb=" O ARG C 608 " (cutoff:3.500A) Proline residue: C 615 - end of helix Processing helix chain 'C' and resid 633 through 646 removed outlier: 3.618A pdb=" N ASP C 643 " --> pdb=" O CYS C 639 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N LYS C 646 " --> pdb=" O HIS C 642 " (cutoff:3.500A) Processing helix chain 'C' and resid 693 through 703 removed outlier: 3.888A pdb=" N ALA C 697 " --> pdb=" O GLU C 693 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N GLU C 698 " --> pdb=" O LYS C 694 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU C 701 " --> pdb=" O ALA C 697 " (cutoff:3.500A) Processing helix chain 'C' and resid 710 through 722 removed outlier: 3.794A pdb=" N GLY C 715 " --> pdb=" O ARG C 711 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N GLU C 716 " --> pdb=" O LYS C 712 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N PHE C 718 " --> pdb=" O LEU C 714 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N THR C 720 " --> pdb=" O GLU C 716 " (cutoff:3.500A) Processing helix chain 'C' and resid 725 through 732 removed outlier: 3.888A pdb=" N ILE C 732 " --> pdb=" O ALA C 728 " (cutoff:3.500A) Processing helix chain 'C' and resid 750 through 756 removed outlier: 4.435A pdb=" N VAL C 754 " --> pdb=" O LEU C 750 " (cutoff:3.500A) removed outlier: 4.326A pdb=" N ASP C 755 " --> pdb=" O PRO C 751 " (cutoff:3.500A) removed outlier: 4.718A pdb=" N LYS C 756 " --> pdb=" O SER C 752 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 750 through 756' Processing helix chain 'C' and resid 757 through 777 removed outlier: 3.978A pdb=" N SER C 761 " --> pdb=" O ALA C 757 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N VAL C 762 " --> pdb=" O LEU C 758 " (cutoff:3.500A) removed outlier: 4.922A pdb=" N ASP C 764 " --> pdb=" O GLY C 760 " (cutoff:3.500A) removed outlier: 5.713A pdb=" N SER C 765 " --> pdb=" O SER C 761 " (cutoff:3.500A) removed outlier: 3.904A pdb=" N TRP C 772 " --> pdb=" O GLN C 768 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N THR C 774 " --> pdb=" O PHE C 770 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N ARG C 775 " --> pdb=" O GLN C 771 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N GLU C 776 " --> pdb=" O TRP C 772 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N GLY C 777 " --> pdb=" O GLY C 773 " (cutoff:3.500A) Processing helix chain 'C' and resid 801 through 824 removed outlier: 3.675A pdb=" N GLY C 806 " --> pdb=" O HIS C 802 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N GLN C 807 " --> pdb=" O ARG C 803 " (cutoff:3.500A) removed outlier: 5.010A pdb=" N ILE C 808 " --> pdb=" O GLY C 804 " (cutoff:3.500A) removed outlier: 5.010A pdb=" N ILE C 809 " --> pdb=" O GLY C 805 " (cutoff:3.500A) Proline residue: C 810 - end of helix removed outlier: 3.642A pdb=" N ARG C 813 " --> pdb=" O ILE C 809 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N ARG C 814 " --> pdb=" O PRO C 810 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N MET C 822 " --> pdb=" O SER C 818 " (cutoff:3.500A) removed outlier: 4.417A pdb=" N ALA C 823 " --> pdb=" O ALA C 819 " (cutoff:3.500A) removed outlier: 5.149A pdb=" N THR C 824 " --> pdb=" O PHE C 820 " (cutoff:3.500A) Processing helix chain 'C' and resid 839 through 854 removed outlier: 3.686A pdb=" N VAL C 843 " --> pdb=" O PRO C 839 " (cutoff:3.500A) removed outlier: 5.380A pdb=" N SER C 844 " --> pdb=" O ALA C 840 " (cutoff:3.500A) removed outlier: 6.140A pdb=" N ALA C 845 " --> pdb=" O ASP C 841 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N VAL C 846 " --> pdb=" O CYS C 842 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N TYR C 847 " --> pdb=" O VAL C 843 " (cutoff:3.500A) Processing helix chain 'C' and resid 876 through 881 removed outlier: 4.653A pdb=" N PHE C 881 " --> pdb=" O ALA C 877 " (cutoff:3.500A) Processing helix chain 'C' and resid 882 through 892 removed outlier: 3.937A pdb=" N GLN C 892 " --> pdb=" O ARG C 888 " (cutoff:3.500A) Processing helix chain 'C' and resid 928 through 941 Processing helix chain 'C' and resid 553 through 558 removed outlier: 6.048A pdb=" N ASP C 556 " --> pdb=" O GLU C 553 " (cutoff:3.500A) removed outlier: 5.271A pdb=" N GLN C 557 " --> pdb=" O GLY C 554 " (cutoff:3.500A) Proline residue: C 558 - end of helix No H-bonds generated for 'chain 'C' and resid 553 through 558' Processing helix chain 'D' and resid 410 through 415 removed outlier: 3.915A pdb=" N LEU D 414 " --> pdb=" O ASP D 410 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N VAL D 415 " --> pdb=" O LEU D 411 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 410 through 415' Processing helix chain 'D' and resid 468 through 473 removed outlier: 3.561A pdb=" N GLN D 472 " --> pdb=" O PRO D 468 " (cutoff:3.500A) removed outlier: 4.450A pdb=" N ALA D 473 " --> pdb=" O LYS D 469 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 468 through 473' Processing helix chain 'D' and resid 482 through 494 removed outlier: 5.460A pdb=" N ARG D 490 " --> pdb=" O SER D 486 " (cutoff:3.500A) removed outlier: 5.757A pdb=" N ALA D 491 " --> pdb=" O LYS D 487 " (cutoff:3.500A) Processing helix chain 'D' and resid 508 through 525 removed outlier: 4.316A pdb=" N VAL D 512 " --> pdb=" O GLY D 508 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N MET D 515 " --> pdb=" O ASN D 511 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N GLU D 520 " --> pdb=" O CYS D 516 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N HIS D 524 " --> pdb=" O GLU D 520 " (cutoff:3.500A) removed outlier: 4.918A pdb=" N ILE D 525 " --> pdb=" O ILE D 521 " (cutoff:3.500A) Processing helix chain 'D' and resid 544 through 559 removed outlier: 3.672A pdb=" N LYS D 557 " --> pdb=" O GLY D 553 " (cutoff:3.500A) Processing helix chain 'D' and resid 576 through 584 removed outlier: 4.898A pdb=" N ILE D 580 " --> pdb=" O CYS D 576 " (cutoff:3.500A) removed outlier: 4.621A pdb=" N ALA D 582 " --> pdb=" O GLU D 578 " (cutoff:3.500A) removed outlier: 4.203A pdb=" N THR D 583 " --> pdb=" O GLU D 579 " (cutoff:3.500A) removed outlier: 5.309A pdb=" N GLN D 584 " --> pdb=" O ILE D 580 " (cutoff:3.500A) Processing helix chain 'D' and resid 589 through 600 Processing helix chain 'D' and resid 601 through 606 removed outlier: 4.196A pdb=" N TYR D 605 " --> pdb=" O GLY D 601 " (cutoff:3.500A) Processing helix chain 'D' and resid 618 through 623 removed outlier: 4.385A pdb=" N ASP D 622 " --> pdb=" O HIS D 618 " (cutoff:3.500A) removed outlier: 5.348A pdb=" N ASP D 623 " --> pdb=" O LEU D 619 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 618 through 623' Processing helix chain 'D' and resid 624 through 643 removed outlier: 3.995A pdb=" N LEU D 628 " --> pdb=" O ARG D 624 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N MET D 641 " --> pdb=" O ARG D 637 " (cutoff:3.500A) Processing helix chain 'D' and resid 657 through 666 Processing helix chain 'D' and resid 696 through 717 removed outlier: 4.104A pdb=" N GLN D 702 " --> pdb=" O ILE D 698 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N ASN D 705 " --> pdb=" O PHE D 701 " (cutoff:3.500A) removed outlier: 3.580A pdb=" N HIS D 715 " --> pdb=" O LYS D 711 " (cutoff:3.500A) removed outlier: 4.802A pdb=" N GLY D 717 " --> pdb=" O MET D 713 " (cutoff:3.500A) Processing helix chain 'D' and resid 728 through 746 removed outlier: 4.957A pdb=" N GLY D 732 " --> pdb=" O ARG D 728 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N ALA D 735 " --> pdb=" O THR D 731 " (cutoff:3.500A) removed outlier: 4.444A pdb=" N ARG D 736 " --> pdb=" O GLY D 732 " (cutoff:3.500A) removed outlier: 4.106A pdb=" N ALA D 737 " --> pdb=" O LYS D 733 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N ILE D 738 " --> pdb=" O THR D 734 " (cutoff:3.500A) removed outlier: 5.928A pdb=" N ARG D 739 " --> pdb=" O ALA D 735 " (cutoff:3.500A) removed outlier: 4.161A pdb=" N ASP D 746 " --> pdb=" O CYS D 742 " (cutoff:3.500A) Processing helix chain 'D' and resid 760 through 768 removed outlier: 3.801A pdb=" N THR D 764 " --> pdb=" O GLU D 760 " (cutoff:3.500A) removed outlier: 5.062A pdb=" N GLN D 768 " --> pdb=" O THR D 764 " (cutoff:3.500A) Processing helix chain 'D' and resid 773 through 781 removed outlier: 3.895A pdb=" N LEU D 777 " --> pdb=" O GLU D 773 " (cutoff:3.500A) Proline residue: D 779 - end of helix Processing helix chain 'D' and resid 790 through 804 removed outlier: 5.143A pdb=" N ARG D 794 " --> pdb=" O THR D 790 " (cutoff:3.500A) removed outlier: 4.225A pdb=" N THR D 795 " --> pdb=" O ARG D 791 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N LEU D 800 " --> pdb=" O LEU D 796 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N LYS D 804 " --> pdb=" O LEU D 800 " (cutoff:3.500A) Processing helix chain 'D' and resid 812 through 818 removed outlier: 3.985A pdb=" N ALA D 816 " --> pdb=" O THR D 812 " (cutoff:3.500A) Processing helix chain 'D' and resid 845 through 856 removed outlier: 3.589A pdb=" N ILE D 849 " --> pdb=" O GLY D 845 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N ARG D 855 " --> pdb=" O GLN D 851 " (cutoff:3.500A) removed outlier: 4.572A pdb=" N ALA D 856 " --> pdb=" O MET D 852 " (cutoff:3.500A) Processing helix chain 'D' and resid 872 through 885 removed outlier: 4.304A pdb=" N GLN D 877 " --> pdb=" O HIS D 873 " (cutoff:3.500A) removed outlier: 5.179A pdb=" N TYR D 878 " --> pdb=" O GLY D 874 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N LEU D 880 " --> pdb=" O LEU D 876 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N LEU D 883 " --> pdb=" O TYR D 879 " (cutoff:3.500A) removed outlier: 4.717A pdb=" N GLN D 885 " --> pdb=" O SER D 881 " (cutoff:3.500A) Processing helix chain 'D' and resid 892 through 908 removed outlier: 4.114A pdb=" N LYS D 896 " --> pdb=" O GLN D 892 " (cutoff:3.500A) Proline residue: D 898 - end of helix Processing helix chain 'D' and resid 912 through 924 removed outlier: 3.720A pdb=" N TYR D 922 " --> pdb=" O ASN D 918 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N ALA D 923 " --> pdb=" O TRP D 919 " (cutoff:3.500A) removed outlier: 5.755A pdb=" N TYR D 924 " --> pdb=" O LEU D 920 " (cutoff:3.500A) Processing helix chain 'D' and resid 925 through 932 Processing helix chain 'D' and resid 939 through 947 Proline residue: D 947 - end of helix Processing helix chain 'D' and resid 949 through 968 removed outlier: 4.424A pdb=" N VAL D 957 " --> pdb=" O ARG D 953 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N HIS D 958 " --> pdb=" O LEU D 954 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N THR D 959 " --> pdb=" O ASP D 955 " (cutoff:3.500A) removed outlier: 6.214A pdb=" N ALA D 960 " --> pdb=" O LEU D 956 " (cutoff:3.500A) Processing helix chain 'D' and resid 982 through 992 Processing helix chain 'D' and resid 994 through 1005 removed outlier: 3.738A pdb=" N GLN D 999 " --> pdb=" O ASN D 995 " (cutoff:3.500A) Processing helix chain 'D' and resid 1010 through 1026 removed outlier: 3.853A pdb=" N ARG D1016 " --> pdb=" O ILE D1012 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N SER D1021 " --> pdb=" O VAL D1017 " (cutoff:3.500A) removed outlier: 6.167A pdb=" N SER D1022 " --> pdb=" O PHE D1018 " (cutoff:3.500A) removed outlier: 7.270A pdb=" N GLU D1023 " --> pdb=" O SER D1019 " (cutoff:3.500A) removed outlier: 6.329A pdb=" N PHE D1024 " --> pdb=" O LEU D1020 " (cutoff:3.500A) removed outlier: 4.139A pdb=" N LYS D1025 " --> pdb=" O SER D1021 " (cutoff:3.500A) removed outlier: 5.559A pdb=" N ASN D1026 " --> pdb=" O SER D1022 " (cutoff:3.500A) Processing helix chain 'D' and resid 1031 through 1042 removed outlier: 4.203A pdb=" N LEU D1035 " --> pdb=" O GLU D1031 " (cutoff:3.500A) removed outlier: 4.831A pdb=" N GLU D1036 " --> pdb=" O GLU D1032 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N GLN D1038 " --> pdb=" O LYS D1034 " (cutoff:3.500A) removed outlier: 3.907A pdb=" N LYS D1039 " --> pdb=" O LEU D1035 " (cutoff:3.500A) Processing helix chain 'D' and resid 1054 through 1069 Processing helix chain 'D' and resid 1074 through 1103 removed outlier: 3.749A pdb=" N GLY D1089 " --> pdb=" O THR D1085 " (cutoff:3.500A) removed outlier: 4.703A pdb=" N ARG D1090 " --> pdb=" O GLN D1086 " (cutoff:3.500A) Processing helix chain 'D' and resid 1104 through 1121 Processing helix chain 'D' and resid 1127 through 1133 removed outlier: 4.694A pdb=" N GLN D1131 " --> pdb=" O CYS D1127 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N PHE D1132 " --> pdb=" O PRO D1128 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N ARG D1133 " --> pdb=" O LEU D1129 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1127 through 1133' Processing helix chain 'D' and resid 1136 through 1147 removed outlier: 3.671A pdb=" N LYS D1146 " --> pdb=" O LYS D1142 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N ASN D1147 " --> pdb=" O ILE D1143 " (cutoff:3.500A) Processing helix chain 'D' and resid 1149 through 1157 removed outlier: 4.137A pdb=" N LEU D1153 " --> pdb=" O PRO D1149 " (cutoff:3.500A) removed outlier: 4.629A pdb=" N TYR D1154 " --> pdb=" O PHE D1150 " (cutoff:3.500A) removed outlier: 5.090A pdb=" N ASP D1155 " --> pdb=" O GLU D1151 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N LEU D1156 " --> pdb=" O ARG D1152 " (cutoff:3.500A) removed outlier: 5.504A pdb=" N ASN D1157 " --> pdb=" O LEU D1153 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1149 through 1157' Processing helix chain 'D' and resid 1158 through 1166 removed outlier: 3.876A pdb=" N GLY D1162 " --> pdb=" O HIS D1158 " (cutoff:3.500A) removed outlier: 3.908A pdb=" N LEU D1164 " --> pdb=" O GLU D1160 " (cutoff:3.500A) removed outlier: 4.195A pdb=" N ILE D1165 " --> pdb=" O ILE D1161 " (cutoff:3.500A) Processing helix chain 'D' and resid 1167 through 1182 removed outlier: 3.867A pdb=" N GLY D1171 " --> pdb=" O MET D1167 " (cutoff:3.500A) removed outlier: 4.718A pdb=" N LYS D1172 " --> pdb=" O PRO D1168 " (cutoff:3.500A) removed outlier: 5.433A pdb=" N THR D1173 " --> pdb=" O LYS D1169 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N HIS D1175 " --> pdb=" O GLY D1171 " (cutoff:3.500A) Proline residue: D1182 - end of helix Processing helix chain 'D' and resid 1314 through 1322 removed outlier: 4.445A pdb=" N LEU D1320 " --> pdb=" O ALA D1316 " (cutoff:3.500A) removed outlier: 4.191A pdb=" N TYR D1321 " --> pdb=" O PHE D1317 " (cutoff:3.500A) Processing helix chain 'D' and resid 1329 through 1340 removed outlier: 4.788A pdb=" N ASN D1337 " --> pdb=" O THR D1333 " (cutoff:3.500A) removed outlier: 5.262A pdb=" N THR D1338 " --> pdb=" O GLN D1334 " (cutoff:3.500A) Processing helix chain 'D' and resid 1355 through 1371 removed outlier: 3.665A pdb=" N CYS D1359 " --> pdb=" O GLY D1355 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N ALA D1363 " --> pdb=" O CYS D1359 " (cutoff:3.500A) Processing helix chain 'D' and resid 1382 through 1397 removed outlier: 3.773A pdb=" N ASP D1392 " --> pdb=" O GLN D1388 " (cutoff:3.500A) removed outlier: 3.845A pdb=" N GLU D1395 " --> pdb=" O MET D1391 " (cutoff:3.500A) Processing helix chain 'D' and resid 1411 through 1422 removed outlier: 4.907A pdb=" N GLY D1420 " --> pdb=" O LEU D1416 " (cutoff:3.500A) removed outlier: 4.272A pdb=" N LYS D1421 " --> pdb=" O LYS D1417 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N GLY D1422 " --> pdb=" O LEU D1418 " (cutoff:3.500A) Processing helix chain 'D' and resid 1428 through 1437 removed outlier: 3.666A pdb=" N LEU D1435 " --> pdb=" O LYS D1431 " (cutoff:3.500A) removed outlier: 4.552A pdb=" N SER D1436 " --> pdb=" O TRP D1432 " (cutoff:3.500A) Processing helix chain 'D' and resid 1438 through 1443 removed outlier: 3.888A pdb=" N ARG D1442 " --> pdb=" O ARG D1438 " (cutoff:3.500A) removed outlier: 4.731A pdb=" N LYS D1443 " --> pdb=" O TRP D1439 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1438 through 1443' Processing helix chain 'D' and resid 1455 through 1462 removed outlier: 4.803A pdb=" N ILE D1459 " --> pdb=" O GLU D1455 " (cutoff:3.500A) removed outlier: 4.830A pdb=" N GLY D1460 " --> pdb=" O VAL D1456 " (cutoff:3.500A) removed outlier: 4.527A pdb=" N GLY D1461 " --> pdb=" O HIS D1457 " (cutoff:3.500A) removed outlier: 5.069A pdb=" N GLU D1462 " --> pdb=" O LEU D1458 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1455 through 1462' Processing helix chain 'D' and resid 1463 through 1482 removed outlier: 4.103A pdb=" N LEU D1467 " --> pdb=" O ASN D1463 " (cutoff:3.500A) removed outlier: 4.059A pdb=" N GLU D1482 " --> pdb=" O SER D1478 " (cutoff:3.500A) Processing helix chain 'D' and resid 1496 through 1505 removed outlier: 3.661A pdb=" N VAL D1500 " --> pdb=" O ASN D1496 " (cutoff:3.500A) Processing helix chain 'D' and resid 1507 through 1512 removed outlier: 5.529A pdb=" N PHE D1512 " --> pdb=" O ALA D1508 " (cutoff:3.500A) Processing helix chain 'D' and resid 1534 through 1553 removed outlier: 3.838A pdb=" N ALA D1543 " --> pdb=" O LEU D1539 " (cutoff:3.500A) removed outlier: 4.840A pdb=" N LYS D1544 " --> pdb=" O LEU D1540 " (cutoff:3.500A) Proline residue: D1545 - end of helix Processing helix chain 'D' and resid 1566 through 1584 removed outlier: 4.900A pdb=" N ARG D1570 " --> pdb=" O ARG D1566 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N LEU D1571 " --> pdb=" O LYS D1567 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N ALA D1582 " --> pdb=" O THR D1578 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N ASP D1583 " --> pdb=" O THR D1579 " (cutoff:3.500A) removed outlier: 4.250A pdb=" N ILE D1584 " --> pdb=" O CYS D1580 " (cutoff:3.500A) Processing helix chain 'D' and resid 1593 through 1604 removed outlier: 3.849A pdb=" N LEU D1597 " --> pdb=" O THR D1593 " (cutoff:3.500A) removed outlier: 3.605A pdb=" N ILE D1598 " --> pdb=" O GLU D1594 " (cutoff:3.500A) Proline residue: D1599 - end of helix removed outlier: 4.737A pdb=" N LYS D1603 " --> pdb=" O PRO D1599 " (cutoff:3.500A) removed outlier: 4.596A pdb=" N LEU D1604 " --> pdb=" O TYR D1600 " (cutoff:3.500A) Processing helix chain 'D' and resid 1606 through 1616 removed outlier: 3.580A pdb=" N LYS D1610 " --> pdb=" O ASP D1606 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N GLU D1611 " --> pdb=" O SER D1607 " (cutoff:3.500A) Processing helix chain 'D' and resid 1625 through 1639 Processing helix chain 'D' and resid 1647 through 1652 removed outlier: 4.178A pdb=" N CYS D1651 " --> pdb=" O SER D1647 " (cutoff:3.500A) removed outlier: 4.865A pdb=" N TRP D1652 " --> pdb=" O ARG D1648 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1647 through 1652' Processing helix chain 'D' and resid 1680 through 1691 removed outlier: 4.111A pdb=" N ALA D1691 " --> pdb=" O MET D1687 " (cutoff:3.500A) Processing helix chain 'D' and resid 1707 through 1720 removed outlier: 4.559A pdb=" N ASP D1712 " --> pdb=" O GLY D1708 " (cutoff:3.500A) removed outlier: 4.766A pdb=" N PHE D1713 " --> pdb=" O SER D1709 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N PHE D1714 " --> pdb=" O LYS D1710 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N TYR D1719 " --> pdb=" O LYS D1715 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N GLU D1720 " --> pdb=" O LYS D1716 " (cutoff:3.500A) Processing helix chain 'D' and resid 1727 through 1732 removed outlier: 3.810A pdb=" N MET D1732 " --> pdb=" O LEU D1728 " (cutoff:3.500A) Processing helix chain 'D' and resid 1733 through 1743 Processing helix chain 'D' and resid 1747 through 1758 removed outlier: 3.619A pdb=" N TRP D1757 " --> pdb=" O ASP D1753 " (cutoff:3.500A) removed outlier: 4.188A pdb=" N THR D1758 " --> pdb=" O TYR D1754 " (cutoff:3.500A) Processing helix chain 'D' and resid 1759 through 1767 removed outlier: 4.502A pdb=" N THR D1765 " --> pdb=" O TYR D1761 " (cutoff:3.500A) removed outlier: 4.160A pdb=" N GLN D1766 " --> pdb=" O ARG D1762 " (cutoff:3.500A) Processing helix chain 'D' and resid 1777 through 1800 removed outlier: 3.547A pdb=" N LYS D1800 " --> pdb=" O LEU D1796 " (cutoff:3.500A) Processing helix chain 'D' and resid 1813 through 1823 Processing helix chain 'D' and resid 1825 through 1836 Processing helix chain 'D' and resid 1841 through 1852 removed outlier: 3.677A pdb=" N GLU D1847 " --> pdb=" O ARG D1843 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N ALA D1852 " --> pdb=" O ILE D1848 " (cutoff:3.500A) Processing helix chain 'D' and resid 1853 through 1858 removed outlier: 4.284A pdb=" N ASN D1857 " --> pdb=" O ALA D1853 " (cutoff:3.500A) removed outlier: 5.056A pdb=" N ILE D1858 " --> pdb=" O GLU D1854 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1853 through 1858' Processing helix chain 'D' and resid 1863 through 1876 removed outlier: 4.379A pdb=" N LEU D1867 " --> pdb=" O HIS D1863 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N LEU D1868 " --> pdb=" O GLU D1864 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N ARG D1869 " --> pdb=" O ASP D1865 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N LYS D1874 " --> pdb=" O GLN D1870 " (cutoff:3.500A) Proline residue: D1876 - end of helix Processing helix chain 'D' and resid 1886 through 1901 Processing helix chain 'D' and resid 1905 through 1934 removed outlier: 3.743A pdb=" N ASP D1911 " --> pdb=" O GLU D1907 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N LYS D1918 " --> pdb=" O GLU D1914 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N ILE D1920 " --> pdb=" O LEU D1916 " (cutoff:3.500A) removed outlier: 5.899A pdb=" N ARG D1921 " --> pdb=" O SER D1917 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N LEU D1922 " --> pdb=" O LYS D1918 " (cutoff:3.500A) Processing helix chain 'D' and resid 1935 through 1952 removed outlier: 3.561A pdb=" N ALA D1939 " --> pdb=" O TRP D1935 " (cutoff:3.500A) Processing helix chain 'D' and resid 1967 through 1978 removed outlier: 3.785A pdb=" N ILE D1971 " --> pdb=" O THR D1967 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N LYS D1972 " --> pdb=" O SER D1968 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N ARG D1973 " --> pdb=" O GLU D1969 " (cutoff:3.500A) Processing helix chain 'D' and resid 1981 through 1989 removed outlier: 3.588A pdb=" N ILE D1985 " --> pdb=" O SER D1981 " (cutoff:3.500A) removed outlier: 4.599A pdb=" N GLU D1987 " --> pdb=" O PHE D1983 " (cutoff:3.500A) removed outlier: 4.695A pdb=" N MET D1988 " --> pdb=" O ASP D1984 " (cutoff:3.500A) removed outlier: 6.315A pdb=" N GLU D1989 " --> pdb=" O ILE D1985 " (cutoff:3.500A) Processing helix chain 'D' and resid 1990 through 1998 removed outlier: 5.123A pdb=" N ASN D1994 " --> pdb=" O ASP D1990 " (cutoff:3.500A) removed outlier: 4.200A pdb=" N ALA D1995 " --> pdb=" O GLU D1991 " (cutoff:3.500A) removed outlier: 5.370A pdb=" N LEU D1997 " --> pdb=" O ARG D1993 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N GLN D1998 " --> pdb=" O ASN D1994 " (cutoff:3.500A) Processing helix chain 'D' and resid 2000 through 2014 removed outlier: 3.717A pdb=" N PHE D2010 " --> pdb=" O ASP D2006 " (cutoff:3.500A) Processing helix chain 'D' and resid 1308 through 1313 removed outlier: 3.989A pdb=" N LEU D1312 " --> pdb=" O VAL D1309 " (cutoff:3.500A) removed outlier: 5.021A pdb=" N ARG D1313 " --> pdb=" O SER D1310 " (cutoff:3.500A) Processing helix chain 'D' and resid 1958 through 1964 removed outlier: 3.659A pdb=" N LYS D1961 " --> pdb=" O SER D1958 " (cutoff:3.500A) removed outlier: 3.940A pdb=" N GLN D1962 " --> pdb=" O TYR D1959 " (cutoff:3.500A) Proline residue: D1964 - end of helix Processing helix chain 'D' and resid 668 through 673 Processing helix chain 'D' and resid 1211 through 1216 removed outlier: 3.697A pdb=" N GLY D1216 " --> pdb=" O ASP D1211 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 1211 through 1216' Processing helix chain 'I' and resid 19 through 30 Proline residue: I 23 - end of helix Processing helix chain 'I' and resid 34 through 46 Processing helix chain 'I' and resid 50 through 63 Processing helix chain 'I' and resid 71 through 85 Processing helix chain 'I' and resid 87 through 105 Processing helix chain 'I' and resid 109 through 122 Processing helix chain 'I' and resid 126 through 139 Processing helix chain 'I' and resid 145 through 158 Proline residue: I 150 - end of helix Processing helix chain 'I' and resid 161 through 175 Processing helix chain 'I' and resid 179 through 190 Processing helix chain 'I' and resid 194 through 205 Processing helix chain 'I' and resid 217 through 233 Proline residue: I 232 - end of helix Processing helix chain 'I' and resid 239 through 250 Processing helix chain 'I' and resid 253 through 268 Processing helix chain 'I' and resid 271 through 286 Processing helix chain 'I' and resid 289 through 312 Processing helix chain 'I' and resid 322 through 341 Processing helix chain 'I' and resid 342 through 354 removed outlier: 3.555A pdb=" N LEU I 349 " --> pdb=" O LEU I 345 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N ARG I 351 " --> pdb=" O SER I 347 " (cutoff:3.500A) Proline residue: I 354 - end of helix Processing helix chain 'I' and resid 356 through 368 removed outlier: 3.926A pdb=" N GLN I 368 " --> pdb=" O VAL I 364 " (cutoff:3.500A) Processing helix chain 'I' and resid 372 through 384 Processing helix chain 'I' and resid 395 through 409 Processing helix chain 'I' and resid 410 through 423 removed outlier: 4.480A pdb=" N ALA I 414 " --> pdb=" O GLN I 410 " (cutoff:3.500A) Processing helix chain 'I' and resid 429 through 447 removed outlier: 4.158A pdb=" N SER I 434 " --> pdb=" O ASP I 430 " (cutoff:3.500A) removed outlier: 3.880A pdb=" N VAL I 435 " --> pdb=" O ASP I 431 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N LEU I 444 " --> pdb=" O GLY I 440 " (cutoff:3.500A) Processing helix chain 'I' and resid 448 through 460 removed outlier: 3.591A pdb=" N ALA I 452 " --> pdb=" O ASN I 448 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N LYS I 458 " --> pdb=" O ARG I 454 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N ALA I 459 " --> pdb=" O LEU I 455 " (cutoff:3.500A) Processing helix chain 'I' and resid 476 through 481 removed outlier: 3.724A pdb=" N VAL I 480 " --> pdb=" O VAL I 476 " (cutoff:3.500A) removed outlier: 5.612A pdb=" N TYR I 481 " --> pdb=" O GLN I 477 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 476 through 481' Processing helix chain 'I' and resid 483 through 497 removed outlier: 3.735A pdb=" N TRP I 487 " --> pdb=" O SER I 483 " (cutoff:3.500A) Processing helix chain 'I' and resid 502 through 514 removed outlier: 3.733A pdb=" N TYR I 507 " --> pdb=" O THR I 503 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N ASP I 508 " --> pdb=" O LYS I 504 " (cutoff:3.500A) removed outlier: 5.053A pdb=" N ARG I 514 " --> pdb=" O ILE I 510 " (cutoff:3.500A) Processing helix chain 'I' and resid 517 through 532 removed outlier: 3.586A pdb=" N ALA I 525 " --> pdb=" O VAL I 521 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N HIS I 531 " --> pdb=" O PHE I 527 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N LYS I 532 " --> pdb=" O LEU I 528 " (cutoff:3.500A) Processing helix chain 'I' and resid 533 through 548 removed outlier: 6.006A pdb=" N SER I 537 " --> pdb=" O TYR I 533 " (cutoff:3.500A) removed outlier: 4.906A pdb=" N PHE I 538 " --> pdb=" O PHE I 534 " (cutoff:3.500A) removed outlier: 4.411A pdb=" N PHE I 548 " --> pdb=" O GLY I 544 " (cutoff:3.500A) Processing helix chain 'I' and resid 549 through 568 removed outlier: 4.405A pdb=" N VAL I 553 " --> pdb=" O LYS I 549 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N SER I 554 " --> pdb=" O TRP I 550 " (cutoff:3.500A) removed outlier: 7.474A pdb=" N ASP I 555 " --> pdb=" O PRO I 551 " (cutoff:3.500A) removed outlier: 5.781A pdb=" N ILE I 556 " --> pdb=" O ASN I 552 " (cutoff:3.500A) Processing helix chain 'I' and resid 572 through 585 removed outlier: 4.167A pdb=" N ALA I 576 " --> pdb=" O LYS I 572 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N GLN I 582 " --> pdb=" O ASP I 578 " (cutoff:3.500A) removed outlier: 4.242A pdb=" N ALA I 583 " --> pdb=" O LEU I 579 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N LEU I 584 " --> pdb=" O PHE I 580 " (cutoff:3.500A) removed outlier: 4.234A pdb=" N ASP I 585 " --> pdb=" O GLU I 581 " (cutoff:3.500A) Processing helix chain 'I' and resid 588 through 606 removed outlier: 4.053A pdb=" N ALA I 592 " --> pdb=" O PRO I 588 " (cutoff:3.500A) removed outlier: 5.989A pdb=" N LYS I 593 " --> pdb=" O PRO I 589 " (cutoff:3.500A) removed outlier: 6.726A pdb=" N THR I 594 " --> pdb=" O LYS I 590 " (cutoff:3.500A) removed outlier: 5.698A pdb=" N LEU I 595 " --> pdb=" O TYR I 591 " (cutoff:3.500A) Processing helix chain 'I' and resid 608 through 623 removed outlier: 3.845A pdb=" N ALA I 612 " --> pdb=" O LEU I 608 " (cutoff:3.500A) removed outlier: 4.470A pdb=" N VAL I 615 " --> pdb=" O HIS I 611 " (cutoff:3.500A) removed outlier: 5.098A pdb=" N TYR I 616 " --> pdb=" O ALA I 612 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N GLU I 617 " --> pdb=" O MET I 613 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ARG I 621 " --> pdb=" O GLU I 617 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N ALA I 622 " --> pdb=" O ARG I 618 " (cutoff:3.500A) Processing helix chain 'I' and resid 625 through 643 removed outlier: 4.544A pdb=" N GLU I 641 " --> pdb=" O LYS I 637 " (cutoff:3.500A) removed outlier: 4.569A pdb=" N ILE I 642 " --> pdb=" O ARG I 638 " (cutoff:3.500A) Processing helix chain 'I' and resid 644 through 659 removed outlier: 4.310A pdb=" N THR I 648 " --> pdb=" O GLY I 644 " (cutoff:3.500A) removed outlier: 4.296A pdb=" N ARG I 649 " --> pdb=" O VAL I 645 " (cutoff:3.500A) removed outlier: 6.417A pdb=" N GLY I 650 " --> pdb=" O THR I 646 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ILE I 651 " --> pdb=" O HIS I 647 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N LYS I 654 " --> pdb=" O GLY I 650 " (cutoff:3.500A) removed outlier: 4.205A pdb=" N GLU I 657 " --> pdb=" O GLN I 653 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N VAL I 658 " --> pdb=" O LYS I 654 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N LEU I 659 " --> pdb=" O ALA I 655 " (cutoff:3.500A) Processing helix chain 'I' and resid 662 through 679 removed outlier: 4.248A pdb=" N GLU I 666 " --> pdb=" O GLU I 662 " (cutoff:3.500A) removed outlier: 4.025A pdb=" N LEU I 669 " --> pdb=" O ARG I 665 " (cutoff:3.500A) Processing helix chain 'I' and resid 680 through 695 removed outlier: 3.705A pdb=" N ALA I 684 " --> pdb=" O GLU I 680 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N SER I 692 " --> pdb=" O TYR I 688 " (cutoff:3.500A) removed outlier: 4.301A pdb=" N ILE I 694 " --> pdb=" O PHE I 690 " (cutoff:3.500A) Processing helix chain 'I' and resid 701 through 715 removed outlier: 3.620A pdb=" N GLN I 705 " --> pdb=" O GLY I 701 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N PHE I 710 " --> pdb=" O THR I 706 " (cutoff:3.500A) Processing helix chain 'I' and resid 716 through 734 removed outlier: 3.708A pdb=" N ILE I 720 " --> pdb=" O ASN I 716 " (cutoff:3.500A) Processing helix chain 'J' and resid 190 through 202 removed outlier: 4.109A pdb=" N LEU J 194 " --> pdb=" O THR J 190 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N LEU J 195 " --> pdb=" O ALA J 191 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N GLU J 202 " --> pdb=" O ALA J 198 " (cutoff:3.500A) Processing helix chain 'J' and resid 218 through 239 removed outlier: 3.819A pdb=" N ARG J 226 " --> pdb=" O ASP J 222 " (cutoff:3.500A) removed outlier: 4.385A pdb=" N ARG J 228 " --> pdb=" O LYS J 224 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ARG J 236 " --> pdb=" O GLU J 232 " (cutoff:3.500A) Processing helix chain 'J' and resid 241 through 256 removed outlier: 4.675A pdb=" N TRP J 245 " --> pdb=" O VAL J 241 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N GLU J 252 " --> pdb=" O TYR J 248 " (cutoff:3.500A) Processing helix chain 'J' and resid 257 through 272 removed outlier: 3.507A pdb=" N SER J 263 " --> pdb=" O GLN J 259 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N TYR J 265 " --> pdb=" O ALA J 261 " (cutoff:3.500A) removed outlier: 4.032A pdb=" N ASP J 270 " --> pdb=" O GLU J 266 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N VAL J 271 " --> pdb=" O ARG J 267 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N ASP J 272 " --> pdb=" O ALA J 268 " (cutoff:3.500A) Processing helix chain 'J' and resid 275 through 290 removed outlier: 3.844A pdb=" N TRP J 279 " --> pdb=" O ASN J 275 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N LEU J 280 " --> pdb=" O ILE J 276 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N GLU J 284 " --> pdb=" O LEU J 280 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N GLU J 286 " --> pdb=" O TYR J 282 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N ASN J 289 " --> pdb=" O MET J 285 " (cutoff:3.500A) Processing helix chain 'J' and resid 291 through 307 removed outlier: 4.184A pdb=" N ASN J 297 " --> pdb=" O ASN J 293 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N THR J 304 " --> pdb=" O ASP J 300 " (cutoff:3.500A) Proline residue: J 307 - end of helix Processing helix chain 'J' and resid 309 through 324 removed outlier: 4.043A pdb=" N TRP J 313 " --> pdb=" O VAL J 309 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N LYS J 315 " --> pdb=" O GLN J 311 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N TYR J 316 " --> pdb=" O PHE J 312 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N GLY J 324 " --> pdb=" O GLU J 320 " (cutoff:3.500A) Processing helix chain 'J' and resid 325 through 340 removed outlier: 3.640A pdb=" N GLN J 331 " --> pdb=" O ALA J 327 " (cutoff:3.500A) removed outlier: 4.042A pdb=" N GLU J 338 " --> pdb=" O GLU J 334 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N TRP J 339 " --> pdb=" O ARG J 335 " (cutoff:3.500A) removed outlier: 3.983A pdb=" N GLN J 340 " --> pdb=" O TRP J 336 " (cutoff:3.500A) Processing helix chain 'J' and resid 342 through 357 removed outlier: 3.687A pdb=" N SER J 348 " --> pdb=" O GLN J 344 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N TYR J 349 " --> pdb=" O ALA J 345 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N TYR J 356 " --> pdb=" O PHE J 352 " (cutoff:3.500A) removed outlier: 4.372A pdb=" N LYS J 357 " --> pdb=" O GLU J 353 " (cutoff:3.500A) Processing helix chain 'J' and resid 358 through 374 removed outlier: 3.682A pdb=" N ARG J 363 " --> pdb=" O VAL J 359 " (cutoff:3.500A) removed outlier: 4.066A pdb=" N THR J 364 " --> pdb=" O ASP J 360 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N ILE J 365 " --> pdb=" O ARG J 361 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N GLU J 367 " --> pdb=" O ARG J 363 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N LEU J 371 " --> pdb=" O GLU J 367 " (cutoff:3.500A) Proline residue: J 374 - end of helix Processing helix chain 'J' and resid 375 through 390 removed outlier: 3.506A pdb=" N HIS J 389 " --> pdb=" O PHE J 385 " (cutoff:3.500A) Processing helix chain 'J' and resid 391 through 407 removed outlier: 3.760A pdb=" N LYS J 397 " --> pdb=" O ALA J 393 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N TYR J 399 " --> pdb=" O ALA J 395 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N GLU J 404 " --> pdb=" O GLU J 400 " (cutoff:3.500A) Processing helix chain 'J' and resid 412 through 427 removed outlier: 3.901A pdb=" N TYR J 416 " --> pdb=" O ASP J 412 " (cutoff:3.500A) removed outlier: 3.888A pdb=" N LYS J 427 " --> pdb=" O GLU J 423 " (cutoff:3.500A) Processing helix chain 'J' and resid 428 through 444 removed outlier: 3.906A pdb=" N VAL J 434 " --> pdb=" O GLU J 430 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ILE J 435 " --> pdb=" O ARG J 431 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N ALA J 439 " --> pdb=" O ILE J 435 " (cutoff:3.500A) removed outlier: 4.270A pdb=" N LEU J 440 " --> pdb=" O TYR J 436 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N SER J 444 " --> pdb=" O LEU J 440 " (cutoff:3.500A) Processing helix chain 'J' and resid 450 through 467 removed outlier: 3.784A pdb=" N GLY J 463 " --> pdb=" O GLU J 459 " (cutoff:3.500A) Processing helix chain 'J' and resid 477 through 492 removed outlier: 3.615A pdb=" N GLU J 482 " --> pdb=" O PHE J 478 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N ASN J 487 " --> pdb=" O GLU J 483 " (cutoff:3.500A) Proline residue: J 488 - end of helix removed outlier: 5.949A pdb=" N ASP J 492 " --> pdb=" O PRO J 488 " (cutoff:3.500A) Processing helix chain 'J' and resid 496 through 513 removed outlier: 5.270A pdb=" N LEU J 500 " --> pdb=" O ASP J 496 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N VAL J 501 " --> pdb=" O TYR J 497 " (cutoff:3.500A) removed outlier: 4.560A pdb=" N GLU J 502 " --> pdb=" O LEU J 498 " (cutoff:3.500A) removed outlier: 5.006A pdb=" N SER J 503 " --> pdb=" O ARG J 499 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ALA J 505 " --> pdb=" O VAL J 501 " (cutoff:3.500A) removed outlier: 4.129A pdb=" N GLU J 508 " --> pdb=" O ASP J 504 " (cutoff:3.500A) removed outlier: 3.912A pdb=" N GLU J 512 " --> pdb=" O GLU J 508 " (cutoff:3.500A) Processing helix chain 'J' and resid 520 through 535 removed outlier: 3.509A pdb=" N HIS J 529 " --> pdb=" O GLN J 525 " (cutoff:3.500A) Processing helix chain 'J' and resid 537 through 555 removed outlier: 3.542A pdb=" N ALA J 541 " --> pdb=" O TRP J 537 " (cutoff:3.500A) removed outlier: 5.069A pdb=" N LEU J 542 " --> pdb=" O ILE J 538 " (cutoff:3.500A) removed outlier: 6.147A pdb=" N TYR J 543 " --> pdb=" O ASN J 539 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N GLU J 544 " --> pdb=" O TYR J 540 " (cutoff:3.500A) removed outlier: 4.203A pdb=" N GLU J 545 " --> pdb=" O ALA J 541 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N LEU J 546 " --> pdb=" O LEU J 542 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N GLU J 547 " --> pdb=" O TYR J 543 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N ALA J 548 " --> pdb=" O GLU J 544 " (cutoff:3.500A) removed outlier: 4.216A pdb=" N ASP J 550 " --> pdb=" O LEU J 546 " (cutoff:3.500A) Proline residue: J 551 - end of helix Processing helix chain 'J' and resid 559 through 569 Proline residue: J 566 - end of helix Processing helix chain 'J' and resid 573 through 586 removed outlier: 3.725A pdb=" N PHE J 582 " --> pdb=" O LEU J 578 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N GLU J 583 " --> pdb=" O TYR J 579 " (cutoff:3.500A) removed outlier: 5.878A pdb=" N ARG J 585 " --> pdb=" O GLN J 581 " (cutoff:3.500A) removed outlier: 5.228A pdb=" N GLN J 586 " --> pdb=" O PHE J 582 " (cutoff:3.500A) Processing helix chain 'J' and resid 592 through 605 removed outlier: 3.950A pdb=" N THR J 598 " --> pdb=" O ARG J 594 " (cutoff:3.500A) Proline residue: J 604 - end of helix Processing helix chain 'J' and resid 609 through 624 removed outlier: 3.529A pdb=" N ARG J 624 " --> pdb=" O ARG J 620 " (cutoff:3.500A) Processing helix chain 'J' and resid 631 through 644 removed outlier: 3.837A pdb=" N PHE J 635 " --> pdb=" O LYS J 631 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N GLY J 636 " --> pdb=" O PHE J 632 " (cutoff:3.500A) Proline residue: J 637 - end of helix removed outlier: 3.897A pdb=" N TRP J 643 " --> pdb=" O ASN J 639 " (cutoff:3.500A) removed outlier: 4.123A pdb=" N ILE J 644 " --> pdb=" O CYS J 640 " (cutoff:3.500A) Processing helix chain 'J' and resid 648 through 660 removed outlier: 3.949A pdb=" N ILE J 652 " --> pdb=" O GLU J 648 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N LEU J 653 " --> pdb=" O LEU J 649 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N ALA J 659 " --> pdb=" O ASP J 655 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N ARG J 660 " --> pdb=" O ILE J 656 " (cutoff:3.500A) Processing helix chain 'J' and resid 666 through 679 Proline residue: J 670 - end of helix removed outlier: 3.670A pdb=" N MET J 674 " --> pdb=" O PRO J 670 " (cutoff:3.500A) Proline residue: J 675 - end of helix removed outlier: 3.676A pdb=" N LEU J 678 " --> pdb=" O MET J 674 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N TRP J 679 " --> pdb=" O PRO J 675 " (cutoff:3.500A) Processing helix chain 'J' and resid 683 through 697 removed outlier: 4.133A pdb=" N ASN J 697 " --> pdb=" O GLU J 693 " (cutoff:3.500A) Processing helix chain 'J' and resid 699 through 710 removed outlier: 3.804A pdb=" N LEU J 703 " --> pdb=" O TYR J 699 " (cutoff:3.500A) Processing helix chain 'J' and resid 718 through 731 Processing helix chain 'J' and resid 740 through 756 removed outlier: 3.697A pdb=" N ASN J 744 " --> pdb=" O LYS J 740 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N LEU J 755 " --> pdb=" O ARG J 751 " (cutoff:3.500A) Processing helix chain 'J' and resid 762 through 776 removed outlier: 4.076A pdb=" N GLY J 766 " --> pdb=" O GLU J 762 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N THR J 767 " --> pdb=" O GLU J 763 " (cutoff:3.500A) Processing helix chain 'J' and resid 780 through 802 removed outlier: 3.797A pdb=" N LYS J 784 " --> pdb=" O GLU J 780 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N TYR J 801 " --> pdb=" O GLY J 797 " (cutoff:3.500A) removed outlier: 5.390A pdb=" N PHE J 802 " --> pdb=" O TRP J 798 " (cutoff:3.500A) Processing helix chain 'K' and resid 28 through 43 Processing helix chain 'K' and resid 65 through 78 removed outlier: 4.181A pdb=" N GLU K 69 " --> pdb=" O ILE K 65 " (cutoff:3.500A) Proline residue: K 78 - end of helix Processing helix chain 'K' and resid 105 through 131 removed outlier: 3.573A pdb=" N GLU K 115 " --> pdb=" O MET K 111 " (cutoff:3.500A) removed outlier: 4.102A pdb=" N MET K 127 " --> pdb=" O ASN K 123 " (cutoff:3.500A) removed outlier: 4.039A pdb=" N HIS K 130 " --> pdb=" O LEU K 126 " (cutoff:3.500A) Processing helix chain 'K' and resid 133 through 205 removed outlier: 3.665A pdb=" N TYR K 138 " --> pdb=" O ALA K 134 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N ASN K 141 " --> pdb=" O VAL K 137 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N HIS K 148 " --> pdb=" O HIS K 144 " (cutoff:3.500A) removed outlier: 3.892A pdb=" N ALA K 149 " --> pdb=" O MET K 145 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N GLN K 150 " --> pdb=" O ILE K 146 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N ASN K 169 " --> pdb=" O TRP K 165 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N SER K 176 " --> pdb=" O LEU K 172 " (cutoff:3.500A) Processing helix chain 'L' and resid 12 through 26 removed outlier: 3.859A pdb=" N MET L 24 " --> pdb=" O LYS L 20 " (cutoff:3.500A) Processing helix chain 'L' and resid 30 through 39 removed outlier: 4.239A pdb=" N LEU L 37 " --> pdb=" O ARG L 33 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N LEU L 38 " --> pdb=" O ILE L 34 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N HIS L 39 " --> pdb=" O ALA L 35 " (cutoff:3.500A) Processing helix chain 'L' and resid 42 through 52 removed outlier: 3.632A pdb=" N TYR L 51 " --> pdb=" O LYS L 47 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N GLU L 52 " --> pdb=" O ALA L 48 " (cutoff:3.500A) Processing helix chain 'L' and resid 64 through 78 removed outlier: 3.588A pdb=" N GLU L 69 " --> pdb=" O ARG L 65 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N LYS L 70 " --> pdb=" O GLU L 66 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N LEU L 74 " --> pdb=" O LYS L 70 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N LYS L 76 " --> pdb=" O LEU L 72 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N LEU L 77 " --> pdb=" O HIS L 73 " (cutoff:3.500A) Processing helix chain 'L' and resid 81 through 90 Proline residue: L 87 - end of helix Processing helix chain 'L' and resid 92 through 108 removed outlier: 3.534A pdb=" N LEU L 97 " --> pdb=" O ALA L 93 " (cutoff:3.500A) removed outlier: 4.230A pdb=" N TYR L 100 " --> pdb=" O CYS L 96 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N ALA L 108 " --> pdb=" O LEU L 104 " (cutoff:3.500A) Processing helix chain 'L' and resid 145 through 162 removed outlier: 3.769A pdb=" N SER L 153 " --> pdb=" O LEU L 149 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N ALA L 157 " --> pdb=" O SER L 153 " (cutoff:3.500A) removed outlier: 5.650A pdb=" N THR L 162 " --> pdb=" O ARG L 158 " (cutoff:3.500A) Processing helix chain 'L' and resid 164 through 192 removed outlier: 3.691A pdb=" N GLN L 175 " --> pdb=" O ALA L 171 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N LEU L 182 " --> pdb=" O GLU L 178 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N ALA L 183 " --> pdb=" O ALA L 179 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N LYS L 187 " --> pdb=" O ALA L 183 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N ARG L 188 " --> pdb=" O ALA L 184 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N GLU L 190 " --> pdb=" O GLN L 186 " (cutoff:3.500A) Processing helix chain 'L' and resid 206 through 212 removed outlier: 4.351A pdb=" N TYR L 210 " --> pdb=" O ARG L 206 " (cutoff:3.500A) Processing helix chain 'L' and resid 243 through 249 removed outlier: 3.657A pdb=" N LEU L 247 " --> pdb=" O ARG L 243 " (cutoff:3.500A) Processing helix chain 'L' and resid 251 through 270 removed outlier: 3.707A pdb=" N LYS L 255 " --> pdb=" O LEU L 251 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N GLU L 256 " --> pdb=" O ARG L 252 " (cutoff:3.500A) removed outlier: 4.278A pdb=" N LYS L 261 " --> pdb=" O GLY L 257 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N HIS L 266 " --> pdb=" O LYS L 262 " (cutoff:3.500A) Processing helix chain 'L' and resid 516 through 538 removed outlier: 3.597A pdb=" N GLU L 529 " --> pdb=" O ILE L 525 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N ARG L 536 " --> pdb=" O LYS L 532 " (cutoff:3.500A) removed outlier: 4.885A pdb=" N HIS L 538 " --> pdb=" O MET L 534 " (cutoff:3.500A) Processing helix chain 'L' and resid 568 through 590 removed outlier: 3.693A pdb=" N ILE L 575 " --> pdb=" O SER L 571 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N LYS L 576 " --> pdb=" O GLU L 572 " (cutoff:3.500A) removed outlier: 4.036A pdb=" N HIS L 589 " --> pdb=" O TYR L 585 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N HIS L 590 " --> pdb=" O ASP L 586 " (cutoff:3.500A) Processing helix chain 'L' and resid 626 through 645 removed outlier: 3.927A pdb=" N GLU L 641 " --> pdb=" O VAL L 637 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N VAL L 642 " --> pdb=" O GLN L 638 " (cutoff:3.500A) Processing helix chain 'L' and resid 691 through 726 removed outlier: 4.237A pdb=" N ARG L 695 " --> pdb=" O SER L 691 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N LEU L 696 " --> pdb=" O LEU L 692 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N GLU L 697 " --> pdb=" O GLU L 693 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N ILE L 719 " --> pdb=" O LYS L 715 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N LEU L 720 " --> pdb=" O LYS L 716 " (cutoff:3.500A) removed outlier: 4.141A pdb=" N GLY L 723 " --> pdb=" O ILE L 719 " (cutoff:3.500A) removed outlier: 4.399A pdb=" N TYR L 724 " --> pdb=" O LEU L 720 " (cutoff:3.500A) Processing helix chain 'L' and resid 727 through 740 removed outlier: 3.954A pdb=" N ASP L 740 " --> pdb=" O ASN L 736 " (cutoff:3.500A) Processing helix chain 'L' and resid 742 through 789 removed outlier: 4.070A pdb=" N ARG L 750 " --> pdb=" O HIS L 746 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N PHE L 752 " --> pdb=" O GLU L 748 " (cutoff:3.500A) Proline residue: L 764 - end of helix removed outlier: 3.545A pdb=" N CYS L 769 " --> pdb=" O ARG L 765 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N LEU L 770 " --> pdb=" O ARG L 766 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N GLU L 772 " --> pdb=" O GLU L 768 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N GLN L 777 " --> pdb=" O ASP L 773 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N LYS L 782 " --> pdb=" O GLN L 778 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N GLU L 783 " --> pdb=" O GLU L 779 " (cutoff:3.500A) Processing helix chain 'L' and resid 791 through 800 removed outlier: 3.771A pdb=" N LYS L 795 " --> pdb=" O LEU L 791 " (cutoff:3.500A) removed outlier: 3.605A pdb=" N GLU L 796 " --> pdb=" O LEU L 792 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N THR L 797 " --> pdb=" O LEU L 793 " (cutoff:3.500A) Processing helix chain 'M' and resid 126 through 143 removed outlier: 3.693A pdb=" N GLN M 134 " --> pdb=" O ALA M 130 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ILE M 142 " --> pdb=" O LEU M 138 " (cutoff:3.500A) removed outlier: 5.622A pdb=" N LYS M 143 " --> pdb=" O THR M 139 " (cutoff:3.500A) Processing helix chain 'M' and resid 145 through 157 removed outlier: 3.890A pdb=" N TYR M 149 " --> pdb=" O ASP M 145 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N GLU M 150 " --> pdb=" O MET M 146 " (cutoff:3.500A) removed outlier: 3.605A pdb=" N GLU M 154 " --> pdb=" O GLU M 150 " (cutoff:3.500A) removed outlier: 4.789A pdb=" N LYS M 155 " --> pdb=" O ARG M 151 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N HIS M 156 " --> pdb=" O LEU M 152 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N GLY M 157 " --> pdb=" O ARG M 153 " (cutoff:3.500A) Processing helix chain 'M' and resid 175 through 196 removed outlier: 3.587A pdb=" N ASP M 180 " --> pdb=" O THR M 176 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N ARG M 181 " --> pdb=" O GLU M 177 " (cutoff:3.500A) removed outlier: 4.265A pdb=" N MET M 182 " --> pdb=" O GLU M 178 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N GLN M 189 " --> pdb=" O ASP M 185 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N LYS M 195 " --> pdb=" O GLU M 191 " (cutoff:3.500A) removed outlier: 4.450A pdb=" N TYR M 196 " --> pdb=" O LYS M 192 " (cutoff:3.500A) Processing helix chain 'M' and resid 212 through 226 removed outlier: 3.810A pdb=" N LYS M 217 " --> pdb=" O GLU M 213 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N PHE M 218 " --> pdb=" O ARG M 214 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N ARG M 224 " --> pdb=" O LYS M 220 " (cutoff:3.500A) Processing helix chain 'M' and resid 230 through 240 removed outlier: 4.052A pdb=" N GLU M 238 " --> pdb=" O LYS M 234 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N GLY M 240 " --> pdb=" O ASN M 236 " (cutoff:3.500A) Processing helix chain 'N' and resid 14 through 35 removed outlier: 3.875A pdb=" N ILE N 18 " --> pdb=" O GLY N 14 " (cutoff:3.500A) Proline residue: N 20 - end of helix removed outlier: 3.816A pdb=" N ASP N 26 " --> pdb=" O LEU N 22 " (cutoff:3.500A) removed outlier: 3.831A pdb=" N THR N 34 " --> pdb=" O ARG N 30 " (cutoff:3.500A) Processing helix chain 'N' and resid 41 through 65 removed outlier: 3.708A pdb=" N SER N 45 " --> pdb=" O ARG N 41 " (cutoff:3.500A) removed outlier: 4.944A pdb=" N LEU N 46 " --> pdb=" O LYS N 42 " (cutoff:3.500A) removed outlier: 4.422A pdb=" N TRP N 47 " --> pdb=" O VAL N 43 " (cutoff:3.500A) Proline residue: N 48 - end of helix Processing helix chain 'N' and resid 71 through 82 removed outlier: 3.754A pdb=" N LYS N 80 " --> pdb=" O GLU N 76 " (cutoff:3.500A) Processing helix chain 'N' and resid 85 through 95 removed outlier: 4.048A pdb=" N LYS N 94 " --> pdb=" O ALA N 90 " (cutoff:3.500A) removed outlier: 5.373A pdb=" N GLN N 95 " --> pdb=" O LYS N 91 " (cutoff:3.500A) Processing helix chain 'N' and resid 102 through 107 removed outlier: 4.742A pdb=" N ILE N 106 " --> pdb=" O CYS N 102 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N GLN N 107 " --> pdb=" O LEU N 103 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 102 through 107' Processing helix chain 'N' and resid 117 through 122 removed outlier: 4.335A pdb=" N VAL N 121 " --> pdb=" O CYS N 117 " (cutoff:3.500A) Proline residue: N 122 - end of helix No H-bonds generated for 'chain 'N' and resid 117 through 122' Processing helix chain 'O' and resid 24 through 29 removed outlier: 3.667A pdb=" N LEU O 28 " --> pdb=" O CYS O 24 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N GLY O 29 " --> pdb=" O GLN O 25 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 24 through 29' Processing helix chain 'O' and resid 71 through 79 removed outlier: 4.880A pdb=" N LYS O 78 " --> pdb=" O CYS O 74 " (cutoff:3.500A) Processing helix chain 'O' and resid 93 through 101 Processing helix chain 'O' and resid 111 through 129 removed outlier: 4.168A pdb=" N GLU O 115 " --> pdb=" O ASP O 111 " (cutoff:3.500A) removed outlier: 5.288A pdb=" N ASP O 129 " --> pdb=" O ILE O 125 " (cutoff:3.500A) Processing helix chain 'O' and resid 136 through 141 removed outlier: 3.654A pdb=" N ALA O 140 " --> pdb=" O MET O 136 " (cutoff:3.500A) removed outlier: 4.092A pdb=" N THR O 141 " --> pdb=" O LEU O 137 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 136 through 141' Processing helix chain 'O' and resid 146 through 151 removed outlier: 3.904A pdb=" N LEU O 150 " --> pdb=" O MET O 146 " (cutoff:3.500A) Processing helix chain 'O' and resid 156 through 161 removed outlier: 4.784A pdb=" N ASN O 160 " --> pdb=" O TYR O 156 " (cutoff:3.500A) removed outlier: 4.264A pdb=" N ARG O 161 " --> pdb=" O TYR O 157 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 156 through 161' Processing helix chain 'O' and resid 165 through 171 removed outlier: 3.604A pdb=" N VAL O 169 " --> pdb=" O CYS O 165 " (cutoff:3.500A) removed outlier: 4.493A pdb=" N LYS O 170 " --> pdb=" O SER O 166 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N GLY O 171 " --> pdb=" O PHE O 167 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 165 through 171' Processing helix chain 'O' and resid 191 through 196 removed outlier: 4.718A pdb=" N ASP O 195 " --> pdb=" O ASP O 191 " (cutoff:3.500A) removed outlier: 4.913A pdb=" N GLN O 196 " --> pdb=" O PRO O 192 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 191 through 196' Processing helix chain 'O' and resid 197 through 204 Processing helix chain 'O' and resid 207 through 220 removed outlier: 3.795A pdb=" N LYS O 212 " --> pdb=" O PRO O 208 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N LEU O 213 " --> pdb=" O VAL O 209 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N LEU O 214 " --> pdb=" O ALA O 210 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N THR O 219 " --> pdb=" O LYS O 215 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N MET O 220 " --> pdb=" O ARG O 216 " (cutoff:3.500A) Processing helix chain 'O' and resid 244 through 253 removed outlier: 3.712A pdb=" N LEU O 248 " --> pdb=" O THR O 244 " (cutoff:3.500A) removed outlier: 4.366A pdb=" N TYR O 253 " --> pdb=" O ARG O 249 " (cutoff:3.500A) Processing helix chain 'O' and resid 276 through 288 removed outlier: 3.999A pdb=" N ALA O 280 " --> pdb=" O THR O 276 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N GLU O 285 " --> pdb=" O GLU O 281 " (cutoff:3.500A) Processing helix chain 'P' and resid 50 through 57 removed outlier: 4.286A pdb=" N ARG P 55 " --> pdb=" O PRO P 51 " (cutoff:3.500A) removed outlier: 4.061A pdb=" N ASN P 56 " --> pdb=" O GLU P 52 " (cutoff:3.500A) removed outlier: 4.768A pdb=" N ARG P 57 " --> pdb=" O GLU P 53 " (cutoff:3.500A) Processing helix chain 'P' and resid 58 through 78 removed outlier: 3.655A pdb=" N GLU P 62 " --> pdb=" O ASP P 58 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N ARG P 78 " --> pdb=" O LYS P 74 " (cutoff:3.500A) Processing helix chain 'P' and resid 205 through 210 removed outlier: 3.990A pdb=" N ARG P 209 " --> pdb=" O LYS P 205 " (cutoff:3.500A) removed outlier: 5.190A pdb=" N PHE P 210 " --> pdb=" O LYS P 206 " (cutoff:3.500A) No H-bonds generated for 'chain 'P' and resid 205 through 210' Processing helix chain 'P' and resid 217 through 228 removed outlier: 3.850A pdb=" N LYS P 226 " --> pdb=" O LYS P 222 " (cutoff:3.500A) Processing helix chain 'Q' and resid 19 through 30 Processing helix chain 'Q' and resid 42 through 58 removed outlier: 4.049A pdb=" N ILE Q 46 " --> pdb=" O ASP Q 42 " (cutoff:3.500A) removed outlier: 4.059A pdb=" N VAL Q 55 " --> pdb=" O GLU Q 51 " (cutoff:3.500A) removed outlier: 4.571A pdb=" N LYS Q 56 " --> pdb=" O LYS Q 52 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N SER Q 57 " --> pdb=" O GLU Q 53 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG Q 58 " --> pdb=" O ILE Q 54 " (cutoff:3.500A) Processing helix chain 'Q' and resid 60 through 71 Processing helix chain 'Q' and resid 76 through 81 removed outlier: 3.638A pdb=" N ASN Q 80 " --> pdb=" O TYR Q 76 " (cutoff:3.500A) Processing helix chain 'Q' and resid 89 through 105 Processing helix chain 'Q' and resid 109 through 116 Proline residue: Q 116 - end of helix Processing helix chain 'Q' and resid 118 through 132 Processing helix chain 'Q' and resid 139 through 157 removed outlier: 3.737A pdb=" N LEU Q 157 " --> pdb=" O CYS Q 153 " (cutoff:3.500A) Processing helix chain 'Q' and resid 160 through 170 removed outlier: 3.937A pdb=" N GLN Q 165 " --> pdb=" O LEU Q 161 " (cutoff:3.500A) removed outlier: 5.342A pdb=" N GLN Q 168 " --> pdb=" O SER Q 164 " (cutoff:3.500A) removed outlier: 4.654A pdb=" N LEU Q 169 " --> pdb=" O GLN Q 165 " (cutoff:3.500A) Processing helix chain 'Q' and resid 171 through 179 removed outlier: 4.486A pdb=" N TRP Q 175 " --> pdb=" O SER Q 171 " (cutoff:3.500A) removed outlier: 4.828A pdb=" N MET Q 176 " --> pdb=" O LEU Q 172 " (cutoff:3.500A) removed outlier: 4.995A pdb=" N GLY Q 177 " --> pdb=" O PRO Q 173 " (cutoff:3.500A) removed outlier: 4.511A pdb=" N LEU Q 178 " --> pdb=" O MET Q 174 " (cutoff:3.500A) removed outlier: 5.672A pdb=" N GLN Q 179 " --> pdb=" O TRP Q 175 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 171 through 179' Processing helix chain 'Q' and resid 180 through 191 Proline residue: Q 191 - end of helix Processing helix chain 'Q' and resid 192 through 208 removed outlier: 4.356A pdb=" N PHE Q 196 " --> pdb=" O LYS Q 192 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLU Q 205 " --> pdb=" O LYS Q 201 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N LYS Q 206 " --> pdb=" O LYS Q 202 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N MET Q 207 " --> pdb=" O ASN Q 203 " (cutoff:3.500A) removed outlier: 5.753A pdb=" N ASP Q 208 " --> pdb=" O ASP Q 204 " (cutoff:3.500A) Processing helix chain 'Q' and resid 209 through 236 removed outlier: 4.870A pdb=" N LEU Q 222 " --> pdb=" O GLU Q 218 " (cutoff:3.500A) removed outlier: 5.509A pdb=" N SER Q 223 " --> pdb=" O ARG Q 219 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N VAL Q 236 " --> pdb=" O VAL Q 232 " (cutoff:3.500A) Processing helix chain 'Q' and resid 243 through 264 removed outlier: 3.681A pdb=" N VAL Q 247 " --> pdb=" O THR Q 243 " (cutoff:3.500A) removed outlier: 5.391A pdb=" N LEU Q 264 " --> pdb=" O LEU Q 260 " (cutoff:3.500A) Processing helix chain 'Q' and resid 265 through 278 removed outlier: 5.204A pdb=" N TRP Q 269 " --> pdb=" O PRO Q 265 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N PHE Q 270 " --> pdb=" O THR Q 266 " (cutoff:3.500A) removed outlier: 5.450A pdb=" N THR Q 272 " --> pdb=" O ARG Q 268 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N ILE Q 273 " --> pdb=" O TRP Q 269 " (cutoff:3.500A) Processing helix chain 'Q' and resid 279 through 286 Processing helix chain 'Q' and resid 287 through 292 removed outlier: 5.406A pdb=" N GLU Q 292 " --> pdb=" O LEU Q 288 " (cutoff:3.500A) Processing helix chain 'Q' and resid 295 through 311 Processing helix chain 'Q' and resid 322 through 344 Processing helix chain 'Q' and resid 345 through 354 removed outlier: 3.625A pdb=" N TYR Q 349 " --> pdb=" O PHE Q 345 " (cutoff:3.500A) removed outlier: 5.279A pdb=" N ASP Q 350 " --> pdb=" O PRO Q 346 " (cutoff:3.500A) removed outlier: 5.817A pdb=" N PHE Q 351 " --> pdb=" O GLU Q 347 " (cutoff:3.500A) Processing helix chain 'Q' and resid 355 through 360 removed outlier: 3.589A pdb=" N VAL Q 359 " --> pdb=" O ASN Q 355 " (cutoff:3.500A) Processing helix chain 'Q' and resid 361 through 370 Processing helix chain 'Q' and resid 373 through 385 Processing helix chain 'Q' and resid 399 through 412 Processing helix chain 'Q' and resid 416 through 424 removed outlier: 3.793A pdb=" N MET Q 424 " --> pdb=" O GLN Q 420 " (cutoff:3.500A) Processing helix chain 'Q' and resid 429 through 435 removed outlier: 4.454A pdb=" N TRP Q 434 " --> pdb=" O GLU Q 430 " (cutoff:3.500A) removed outlier: 4.945A pdb=" N ASP Q 435 " --> pdb=" O LYS Q 431 " (cutoff:3.500A) Processing helix chain 'Q' and resid 461 through 493 removed outlier: 3.512A pdb=" N TYR Q 479 " --> pdb=" O LEU Q 475 " (cutoff:3.500A) removed outlier: 3.861A pdb=" N GLU Q 480 " --> pdb=" O GLU Q 476 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N LYS Q 493 " --> pdb=" O VAL Q 489 " (cutoff:3.500A) Processing helix chain 'Q' and resid 546 through 556 removed outlier: 3.657A pdb=" N LEU Q 556 " --> pdb=" O GLU Q 552 " (cutoff:3.500A) Processing helix chain 'Q' and resid 582 through 588 Processing helix chain 'Q' and resid 630 through 644 Processing helix chain 'Q' and resid 648 through 653 removed outlier: 4.257A pdb=" N THR Q 652 " --> pdb=" O ASP Q 648 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N PHE Q 653 " --> pdb=" O VAL Q 649 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 648 through 653' Processing helix chain 'Q' and resid 660 through 680 removed outlier: 4.308A pdb=" N ASN Q 665 " --> pdb=" O PRO Q 661 " (cutoff:3.500A) removed outlier: 7.501A pdb=" N PHE Q 666 " --> pdb=" O LYS Q 662 " (cutoff:3.500A) removed outlier: 7.797A pdb=" N LYS Q 667 " --> pdb=" O GLU Q 663 " (cutoff:3.500A) removed outlier: 5.887A pdb=" N ALA Q 668 " --> pdb=" O ASN Q 664 " (cutoff:3.500A) removed outlier: 4.882A pdb=" N ASP Q 680 " --> pdb=" O LEU Q 676 " (cutoff:3.500A) Processing helix chain 'Q' and resid 684 through 693 removed outlier: 4.792A pdb=" N ASP Q 689 " --> pdb=" O ASP Q 685 " (cutoff:3.500A) removed outlier: 5.391A pdb=" N ILE Q 690 " --> pdb=" O TRP Q 686 " (cutoff:3.500A) Processing helix chain 'Q' and resid 701 through 706 Proline residue: Q 706 - end of helix Processing helix chain 'Q' and resid 720 through 729 removed outlier: 3.552A pdb=" N PHE Q 728 " --> pdb=" O LEU Q 724 " (cutoff:3.500A) Proline residue: Q 729 - end of helix Processing helix chain 'Q' and resid 803 through 816 Proline residue: Q 816 - end of helix Processing helix chain 'Q' and resid 828 through 844 Processing helix chain 'Q' and resid 855 through 870 removed outlier: 3.579A pdb=" N LEU Q 859 " --> pdb=" O SER Q 855 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N ALA Q 868 " --> pdb=" O GLU Q 864 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N LEU Q 869 " --> pdb=" O LYS Q 865 " (cutoff:3.500A) removed outlier: 4.993A pdb=" N ASP Q 870 " --> pdb=" O ILE Q 866 " (cutoff:3.500A) Processing helix chain 'Q' and resid 872 through 877 removed outlier: 3.980A pdb=" N LEU Q 876 " --> pdb=" O ASP Q 872 " (cutoff:3.500A) removed outlier: 5.700A pdb=" N LEU Q 877 " --> pdb=" O GLU Q 873 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 872 through 877' Processing helix chain 'Q' and resid 893 through 920 Processing helix chain 'Q' and resid 928 through 952 removed outlier: 4.173A pdb=" N MET Q 941 " --> pdb=" O LEU Q 937 " (cutoff:3.500A) removed outlier: 4.765A pdb=" N SER Q 942 " --> pdb=" O TYR Q 938 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N ARG Q 943 " --> pdb=" O GLN Q 939 " (cutoff:3.500A) Processing helix chain 'Q' and resid 960 through 968 removed outlier: 3.872A pdb=" N SER Q 965 " --> pdb=" O VAL Q 961 " (cutoff:3.500A) removed outlier: 3.605A pdb=" N PHE Q 968 " --> pdb=" O VAL Q 964 " (cutoff:3.500A) Processing helix chain 'Q' and resid 970 through 975 Processing helix chain 'Q' and resid 986 through 1018 removed outlier: 4.837A pdb=" N ALA Q1013 " --> pdb=" O GLU Q1009 " (cutoff:3.500A) removed outlier: 5.334A pdb=" N SER Q1014 " --> pdb=" O GLU Q1010 " (cutoff:3.500A) removed outlier: 4.006A pdb=" N GLU Q1015 " --> pdb=" O PHE Q1011 " (cutoff:3.500A) removed outlier: 4.817A pdb=" N ARG Q1018 " --> pdb=" O SER Q1014 " (cutoff:3.500A) Processing helix chain 'Q' and resid 1019 through 1030 Processing helix chain 'Q' and resid 1038 through 1046 Processing helix chain 'Q' and resid 1047 through 1053 Processing helix chain 'Q' and resid 1063 through 1068 removed outlier: 3.618A pdb=" N ILE Q1067 " --> pdb=" O GLU Q1063 " (cutoff:3.500A) removed outlier: 5.692A pdb=" N LEU Q1068 " --> pdb=" O ALA Q1064 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 1063 through 1068' Processing helix chain 'Q' and resid 1069 through 1078 Proline residue: Q1075 - end of helix removed outlier: 3.916A pdb=" N LEU Q1078 " --> pdb=" O ILE Q1074 " (cutoff:3.500A) Processing helix chain 'Q' and resid 1106 through 1113 removed outlier: 4.222A pdb=" N GLN Q1110 " --> pdb=" O ASN Q1106 " (cutoff:3.500A) Processing helix chain 'Q' and resid 1118 through 1127 Processing helix chain 'Q' and resid 1140 through 1148 removed outlier: 4.199A pdb=" N LEU Q1146 " --> pdb=" O SER Q1142 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N TYR Q1147 " --> pdb=" O LEU Q1143 " (cutoff:3.500A) Processing helix chain 'Q' and resid 1157 through 1163 Processing helix chain 'Q' and resid 1200 through 1218 Processing helix chain 'Q' and resid 1220 through 1225 removed outlier: 3.766A pdb=" N ILE Q1224 " --> pdb=" O PRO Q1220 " (cutoff:3.500A) removed outlier: 5.276A pdb=" N SER Q1225 " --> pdb=" O ALA Q1221 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 1220 through 1225' Processing helix chain 'Q' and resid 1230 through 1245 Processing helix chain 'Q' and resid 1259 through 1264 removed outlier: 3.744A pdb=" N GLN Q1264 " --> pdb=" O VAL Q1260 " (cutoff:3.500A) Processing helix chain 'Q' and resid 1286 through 1296 removed outlier: 3.683A pdb=" N ARG Q1296 " --> pdb=" O VAL Q1292 " (cutoff:3.500A) Processing helix chain 'Q' and resid 1306 through 1314 removed outlier: 3.752A pdb=" N PHE Q1310 " --> pdb=" O ARG Q1306 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N CYS Q1313 " --> pdb=" O LEU Q1309 " (cutoff:3.500A) removed outlier: 5.630A pdb=" N PHE Q1314 " --> pdb=" O PHE Q1310 " (cutoff:3.500A) Processing helix chain 'Q' and resid 1316 through 1327 removed outlier: 4.235A pdb=" N GLN Q1322 " --> pdb=" O PRO Q1318 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N ALA Q1325 " --> pdb=" O SER Q1321 " (cutoff:3.500A) removed outlier: 4.243A pdb=" N ARG Q1326 " --> pdb=" O GLN Q1322 " (cutoff:3.500A) Proline residue: Q1327 - end of helix Processing helix chain 'Q' and resid 1357 through 1376 removed outlier: 3.617A pdb=" N GLN Q1374 " --> pdb=" O MET Q1370 " (cutoff:3.500A) Processing helix chain 'R' and resid 98 through 104 removed outlier: 4.682A pdb=" N ALA R 102 " --> pdb=" O TYR R 98 " (cutoff:3.500A) Processing helix chain 'R' and resid 115 through 120 removed outlier: 3.948A pdb=" N LEU R 119 " --> pdb=" O LYS R 115 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL R 120 " --> pdb=" O TYR R 116 " (cutoff:3.500A) No H-bonds generated for 'chain 'R' and resid 115 through 120' Processing helix chain 'R' and resid 136 through 160 removed outlier: 3.845A pdb=" N ILE R 140 " --> pdb=" O ASP R 136 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N LYS R 141 " --> pdb=" O GLU R 137 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N VAL R 149 " --> pdb=" O GLU R 145 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N ALA R 150 " --> pdb=" O LYS R 146 " (cutoff:3.500A) removed outlier: 4.122A pdb=" N GLN R 157 " --> pdb=" O LYS R 153 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N LYS R 158 " --> pdb=" O SER R 154 " (cutoff:3.500A) Processing helix chain 'R' and resid 185 through 190 removed outlier: 5.376A pdb=" N ASN R 189 " --> pdb=" O GLY R 185 " (cutoff:3.500A) removed outlier: 5.270A pdb=" N SER R 190 " --> pdb=" O VAL R 186 " (cutoff:3.500A) No H-bonds generated for 'chain 'R' and resid 185 through 190' Processing helix chain 'R' and resid 238 through 246 removed outlier: 3.528A pdb=" N GLU R 244 " --> pdb=" O LYS R 240 " (cutoff:3.500A) removed outlier: 4.416A pdb=" N TRP R 245 " --> pdb=" O GLU R 241 " (cutoff:3.500A) removed outlier: 4.298A pdb=" N LYS R 246 " --> pdb=" O GLN R 242 " (cutoff:3.500A) Processing helix chain 'R' and resid 263 through 269 removed outlier: 3.738A pdb=" N ALA R 269 " --> pdb=" O ASP R 265 " (cutoff:3.500A) Processing helix chain 'R' and resid 271 through 277 removed outlier: 4.471A pdb=" N THR R 277 " --> pdb=" O ARG R 273 " (cutoff:3.500A) Processing helix chain 'R' and resid 282 through 335 removed outlier: 4.201A pdb=" N LYS R 286 " --> pdb=" O GLU R 282 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N ARG R 296 " --> pdb=" O TYR R 292 " (cutoff:3.500A) removed outlier: 3.971A pdb=" N MET R 304 " --> pdb=" O GLU R 300 " (cutoff:3.500A) removed outlier: 3.946A pdb=" N LYS R 323 " --> pdb=" O LYS R 319 " (cutoff:3.500A) Processing helix chain 'S' and resid 32 through 46 removed outlier: 3.505A pdb=" N CYS S 36 " --> pdb=" O ALA S 32 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N ASN S 38 " --> pdb=" O LYS S 34 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N GLY S 46 " --> pdb=" O LEU S 42 " (cutoff:3.500A) Processing helix chain 'S' and resid 135 through 145 removed outlier: 3.511A pdb=" N ASN S 140 " --> pdb=" O ILE S 136 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ARG S 141 " --> pdb=" O GLY S 137 " (cutoff:3.500A) removed outlier: 4.338A pdb=" N VAL S 145 " --> pdb=" O ARG S 141 " (cutoff:3.500A) Processing helix chain 'U' and resid 55 through 81 Processing helix chain 'U' and resid 83 through 100 removed outlier: 5.416A pdb=" N ILE U 87 " --> pdb=" O GLU U 83 " (cutoff:3.500A) Processing helix chain 'V' and resid 149 through 173 Processing helix chain 'V' and resid 177 through 189 removed outlier: 3.521A pdb=" N GLN V 187 " --> pdb=" O GLN V 183 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N GLU V 188 " --> pdb=" O GLU V 184 " (cutoff:3.500A) removed outlier: 5.165A pdb=" N ASN V 189 " --> pdb=" O LEU V 185 " (cutoff:3.500A) Processing helix chain 'V' and resid 193 through 209 Proline residue: V 209 - end of helix Processing helix chain 'V' and resid 210 through 226 removed outlier: 6.156A pdb=" N VAL V 214 " --> pdb=" O ILE V 210 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N LYS V 225 " --> pdb=" O ILE V 221 " (cutoff:3.500A) Processing helix chain 'V' and resid 227 through 248 Processing helix chain 'V' and resid 249 through 267 Processing helix chain 'V' and resid 270 through 285 removed outlier: 4.477A pdb=" N CYS V 274 " --> pdb=" O HIS V 270 " (cutoff:3.500A) removed outlier: 4.559A pdb=" N ARG V 284 " --> pdb=" O LEU V 280 " (cutoff:3.500A) Proline residue: V 285 - end of helix Processing helix chain 'V' and resid 286 through 301 removed outlier: 3.552A pdb=" N GLU V 299 " --> pdb=" O GLY V 295 " (cutoff:3.500A) Processing helix chain 'V' and resid 302 through 308 Processing helix chain 'V' and resid 309 through 325 Processing helix chain 'V' and resid 329 through 346 Processing helix chain 'V' and resid 379 through 385 removed outlier: 4.483A pdb=" N ASN V 383 " --> pdb=" O GLU V 379 " (cutoff:3.500A) removed outlier: 4.199A pdb=" N VAL V 384 " --> pdb=" O ASP V 380 " (cutoff:3.500A) removed outlier: 5.600A pdb=" N PHE V 385 " --> pdb=" O VAL V 381 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 379 through 385' Processing helix chain 'V' and resid 390 through 406 removed outlier: 3.578A pdb=" N GLU V 404 " --> pdb=" O ALA V 400 " (cutoff:3.500A) Processing helix chain 'V' and resid 451 through 466 removed outlier: 3.555A pdb=" N PHE V 455 " --> pdb=" O ASN V 451 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N THR V 458 " --> pdb=" O SER V 454 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N ALA V 462 " --> pdb=" O THR V 458 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N SER V 466 " --> pdb=" O ALA V 462 " (cutoff:3.500A) Processing helix chain 'V' and resid 468 through 480 removed outlier: 3.632A pdb=" N LYS V 475 " --> pdb=" O GLU V 471 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N LEU V 476 " --> pdb=" O CYS V 472 " (cutoff:3.500A) Processing helix chain 'V' and resid 482 through 500 removed outlier: 4.050A pdb=" N THR V 486 " --> pdb=" O PRO V 482 " (cutoff:3.500A) removed outlier: 5.093A pdb=" N LYS V 487 " --> pdb=" O GLU V 483 " (cutoff:3.500A) removed outlier: 4.952A pdb=" N GLU V 488 " --> pdb=" O SER V 484 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N CYS V 490 " --> pdb=" O THR V 486 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N ILE V 493 " --> pdb=" O LEU V 489 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N LEU V 494 " --> pdb=" O CYS V 490 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N ALA V 498 " --> pdb=" O LEU V 494 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N GLN V 500 " --> pdb=" O CYS V 496 " (cutoff:3.500A) Processing helix chain 'V' and resid 504 through 519 removed outlier: 4.890A pdb=" N GLY V 508 " --> pdb=" O GLU V 504 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N GLY V 512 " --> pdb=" O GLY V 508 " (cutoff:3.500A) removed outlier: 4.343A pdb=" N LYS V 518 " --> pdb=" O PHE V 514 " (cutoff:3.500A) removed outlier: 5.019A pdb=" N LYS V 519 " --> pdb=" O CYS V 515 " (cutoff:3.500A) Processing helix chain 'V' and resid 520 through 536 removed outlier: 3.971A pdb=" N TYR V 533 " --> pdb=" O PHE V 529 " (cutoff:3.500A) removed outlier: 4.005A pdb=" N ASP V 534 " --> pdb=" O LYS V 530 " (cutoff:3.500A) removed outlier: 4.190A pdb=" N THR V 535 " --> pdb=" O GLU V 531 " (cutoff:3.500A) Processing helix chain 'V' and resid 540 through 558 removed outlier: 4.112A pdb=" N ASN V 546 " --> pdb=" O ASN V 542 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N VAL V 547 " --> pdb=" O LYS V 543 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N LYS V 549 " --> pdb=" O ARG V 545 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N PHE V 551 " --> pdb=" O VAL V 547 " (cutoff:3.500A) removed outlier: 3.811A pdb=" N LEU V 554 " --> pdb=" O MET V 550 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N LEU V 555 " --> pdb=" O PHE V 551 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N TYR V 556 " --> pdb=" O ALA V 552 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N THR V 557 " --> pdb=" O HIS V 553 " (cutoff:3.500A) Processing helix chain 'V' and resid 576 through 595 removed outlier: 3.582A pdb=" N ARG V 580 " --> pdb=" O THR V 576 " (cutoff:3.500A) removed outlier: 4.124A pdb=" N ILE V 581 " --> pdb=" O SER V 577 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N PHE V 586 " --> pdb=" O PHE V 582 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N LEU V 590 " --> pdb=" O PHE V 586 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N TYR V 593 " --> pdb=" O GLU V 589 " (cutoff:3.500A) Processing helix chain 'V' and resid 596 through 607 removed outlier: 5.028A pdb=" N ASN V 600 " --> pdb=" O LEU V 596 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ALA V 601 " --> pdb=" O PRO V 597 " (cutoff:3.500A) removed outlier: 4.138A pdb=" N LYS V 604 " --> pdb=" O ASN V 600 " (cutoff:3.500A) removed outlier: 5.078A pdb=" N ASP V 605 " --> pdb=" O ALA V 601 " (cutoff:3.500A) removed outlier: 3.900A pdb=" N GLU V 606 " --> pdb=" O ARG V 602 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N THR V 607 " --> pdb=" O LEU V 603 " (cutoff:3.500A) Processing helix chain 'V' and resid 620 through 635 removed outlier: 3.964A pdb=" N ILE V 628 " --> pdb=" O THR V 624 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N ILE V 634 " --> pdb=" O PHE V 630 " (cutoff:3.500A) removed outlier: 3.872A pdb=" N GLY V 635 " --> pdb=" O PHE V 631 " (cutoff:3.500A) Processing helix chain 'V' and resid 640 through 648 removed outlier: 3.710A pdb=" N GLU V 645 " --> pdb=" O ASP V 641 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N HIS V 646 " --> pdb=" O GLU V 642 " (cutoff:3.500A) removed outlier: 4.191A pdb=" N LEU V 647 " --> pdb=" O LEU V 643 " (cutoff:3.500A) removed outlier: 4.136A pdb=" N LYS V 648 " --> pdb=" O ARG V 644 " (cutoff:3.500A) Processing helix chain 'V' and resid 562 through 569 removed outlier: 3.773A pdb=" N LEU V 565 " --> pdb=" O TRP V 562 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N GLU V 566 " --> pdb=" O SER V 563 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N CYS V 567 " --> pdb=" O VAL V 564 " (cutoff:3.500A) removed outlier: 4.712A pdb=" N LYS V 569 " --> pdb=" O GLU V 566 " (cutoff:3.500A) Processing helix chain 'W' and resid 84 through 89 removed outlier: 3.730A pdb=" N PHE W 89 " --> pdb=" O TYR W 85 " (cutoff:3.500A) Processing helix chain 'W' and resid 101 through 106 removed outlier: 3.915A pdb=" N ALA W 106 " --> pdb=" O GLN W 102 " (cutoff:3.500A) Processing helix chain 'W' and resid 121 through 135 Processing helix chain 'W' and resid 155 through 163 removed outlier: 4.422A pdb=" N ALA W 159 " --> pdb=" O SER W 155 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N GLU W 160 " --> pdb=" O VAL W 156 " (cutoff:3.500A) Processing helix chain 'W' and resid 209 through 228 removed outlier: 3.990A pdb=" N LYS W 214 " --> pdb=" O GLU W 210 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N ASP W 217 " --> pdb=" O GLN W 213 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N GLU W 218 " --> pdb=" O LYS W 214 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N ARG W 223 " --> pdb=" O ILE W 219 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLN W 224 " --> pdb=" O THR W 220 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LYS W 228 " --> pdb=" O GLN W 224 " (cutoff:3.500A) Processing helix chain 'W' and resid 253 through 258 removed outlier: 3.862A pdb=" N ILE W 257 " --> pdb=" O SER W 253 " (cutoff:3.500A) Proline residue: W 258 - end of helix No H-bonds generated for 'chain 'W' and resid 253 through 258' Processing helix chain 'Y' and resid 395 through 409 removed outlier: 4.513A pdb=" N LYS Y 399 " --> pdb=" O SER Y 395 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N TRP Y 400 " --> pdb=" O ASP Y 396 " (cutoff:3.500A) Processing helix chain 'Y' and resid 412 through 417 Proline residue: Y 417 - end of helix Processing helix chain 'Y' and resid 557 through 565 removed outlier: 3.693A pdb=" N LEU Y 565 " --> pdb=" O GLN Y 561 " (cutoff:3.500A) Processing helix chain 'Y' and resid 566 through 571 removed outlier: 4.459A pdb=" N LEU Y 570 " --> pdb=" O PRO Y 566 " (cutoff:3.500A) Processing helix chain 'Y' and resid 572 through 581 Processing helix chain 'Y' and resid 595 through 606 removed outlier: 4.801A pdb=" N THR Y 599 " --> pdb=" O THR Y 595 " (cutoff:3.500A) removed outlier: 4.402A pdb=" N GLN Y 600 " --> pdb=" O THR Y 596 " (cutoff:3.500A) Processing helix chain 'Y' and resid 619 through 635 Processing helix chain 'Y' and resid 662 through 673 removed outlier: 3.504A pdb=" N ILE Y 672 " --> pdb=" O AARG Y 668 " (cutoff:3.500A) Processing helix chain 'Y' and resid 691 through 708 removed outlier: 3.819A pdb=" N GLN Y 706 " --> pdb=" O LYS Y 702 " (cutoff:3.500A) Processing helix chain 'Y' and resid 718 through 730 removed outlier: 4.775A pdb=" N VAL Y 723 " --> pdb=" O THR Y 719 " (cutoff:3.500A) removed outlier: 5.315A pdb=" N LYS Y 724 " --> pdb=" O LEU Y 720 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N TYR Y 730 " --> pdb=" O SER Y 726 " (cutoff:3.500A) Processing helix chain 'Y' and resid 755 through 770 Processing helix chain 'Y' and resid 782 through 801 removed outlier: 3.640A pdb=" N LEU Y 800 " --> pdb=" O ARG Y 796 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N GLY Y 801 " --> pdb=" O MET Y 797 " (cutoff:3.500A) Processing helix chain 'Y' and resid 817 through 827 removed outlier: 3.670A pdb=" N ARG Y 823 " --> pdb=" O GLU Y 819 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N ILE Y 824 " --> pdb=" O MET Y 820 " (cutoff:3.500A) removed outlier: 4.291A pdb=" N PHE Y 825 " --> pdb=" O GLN Y 821 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N ASP Y 826 " --> pdb=" O THR Y 822 " (cutoff:3.500A) Proline residue: Y 827 - end of helix Processing helix chain 'Y' and resid 839 through 845 removed outlier: 4.705A pdb=" N GLU Y 843 " --> pdb=" O THR Y 839 " (cutoff:3.500A) removed outlier: 4.377A pdb=" N THR Y 844 " --> pdb=" O ASN Y 840 " (cutoff:3.500A) Processing helix chain 'Y' and resid 880 through 893 removed outlier: 3.690A pdb=" N ARG Y 890 " --> pdb=" O GLN Y 886 " (cutoff:3.500A) removed outlier: 4.323A pdb=" N ALA Y 891 " --> pdb=" O ARG Y 887 " (cutoff:3.500A) removed outlier: 4.064A pdb=" N GLY Y 892 " --> pdb=" O ALA Y 888 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ARG Y 893 " --> pdb=" O GLY Y 889 " (cutoff:3.500A) Processing helix chain 'Y' and resid 904 through 910 Processing helix chain 'Y' and resid 918 through 923 removed outlier: 3.862A pdb=" N ARG Y 922 " --> pdb=" O PRO Y 918 " (cutoff:3.500A) Processing helix chain 'Y' and resid 925 through 936 Processing helix chain 'Y' and resid 939 through 944 removed outlier: 3.560A pdb=" N PHE Y 943 " --> pdb=" O ASP Y 939 " (cutoff:3.500A) removed outlier: 5.923A pdb=" N ASP Y 944 " --> pdb=" O LEU Y 940 " (cutoff:3.500A) No H-bonds generated for 'chain 'Y' and resid 939 through 944' Processing helix chain 'Y' and resid 950 through 965 Processing helix chain 'Y' and resid 974 through 983 removed outlier: 3.535A pdb=" N GLU Y 982 " --> pdb=" O ARG Y 978 " (cutoff:3.500A) removed outlier: 4.174A pdb=" N PHE Y 983 " --> pdb=" O ARG Y 979 " (cutoff:3.500A) Processing helix chain 'Y' and resid 986 through 1000 removed outlier: 3.734A pdb=" N VAL Y 997 " --> pdb=" O LEU Y 993 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N HIS Y 998 " --> pdb=" O ILE Y 994 " (cutoff:3.500A) Processing helix chain 'Y' and resid 1001 through 1015 removed outlier: 3.628A pdb=" N THR Y1007 " --> pdb=" O GLU Y1003 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N VAL Y1014 " --> pdb=" O SER Y1010 " (cutoff:3.500A) removed outlier: 5.507A pdb=" N GLN Y1015 " --> pdb=" O MET Y1011 " (cutoff:3.500A) Processing helix chain 'Y' and resid 1024 through 1037 removed outlier: 3.634A pdb=" N LYS Y1034 " --> pdb=" O AGLN Y1030 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N PHE Y1035 " --> pdb=" O LYS Y1031 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N HIS Y1036 " --> pdb=" O LYS Y1032 " (cutoff:3.500A) removed outlier: 5.976A pdb=" N GLN Y1037 " --> pdb=" O ALA Y1033 " (cutoff:3.500A) Processing helix chain 'Y' and resid 1040 through 1056 Processing helix chain 'Y' and resid 1058 through 1066 Processing helix chain 'Y' and resid 1068 through 1090 Processing helix chain 'Y' and resid 1099 through 1112 removed outlier: 4.509A pdb=" N VAL Y1103 " --> pdb=" O SER Y1099 " (cutoff:3.500A) Processing helix chain 'Y' and resid 1169 through 1177 removed outlier: 4.198A pdb=" N LEU Y1173 " --> pdb=" O ASP Y1169 " (cutoff:3.500A) removed outlier: 4.056A pdb=" N VAL Y1174 " --> pdb=" O PRO Y1170 " (cutoff:3.500A) Processing helix chain 'Z' and resid 656 through 663 Processing helix chain '2' and resid 26 through 42 removed outlier: 3.736A pdb=" N LEU 2 33 " --> pdb=" O GLU 2 29 " (cutoff:3.500A) removed outlier: 4.511A pdb=" N LYS 2 34 " --> pdb=" O GLU 2 30 " (cutoff:3.500A) removed outlier: 4.697A pdb=" N ASN 2 41 " --> pdb=" O ARG 2 37 " (cutoff:3.500A) Proline residue: 2 42 - end of helix Processing helix chain '2' and resid 75 through 140 removed outlier: 4.424A pdb=" N PHE 2 79 " --> pdb=" O GLY 2 75 " (cutoff:3.500A) removed outlier: 5.075A pdb=" N HIS 2 80 " --> pdb=" O SER 2 76 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N TYR 2 82 " --> pdb=" O GLU 2 78 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N ARG 2 87 " --> pdb=" O ARG 2 83 " (cutoff:3.500A) removed outlier: 4.123A pdb=" N ASP 2 97 " --> pdb=" O GLN 2 93 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N ALA 2 98 " --> pdb=" O ASP 2 94 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N ALA 2 100 " --> pdb=" O MET 2 96 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N ARG 2 127 " --> pdb=" O GLN 2 123 " (cutoff:3.500A) Processing helix chain 'z' and resid 59 through 73 Processing helix chain 'z' and resid 74 through 83 removed outlier: 4.095A pdb=" N LYS z 83 " --> pdb=" O LYS z 79 " (cutoff:3.500A) Processing helix chain 'z' and resid 84 through 100 removed outlier: 5.675A pdb=" N THR z 100 " --> pdb=" O LEU z 96 " (cutoff:3.500A) Processing helix chain 'b' and resid 6 through 14 removed outlier: 4.261A pdb=" N LEU b 10 " --> pdb=" O SER b 6 " (cutoff:3.500A) removed outlier: 4.673A pdb=" N HIS b 12 " --> pdb=" O LYS b 8 " (cutoff:3.500A) removed outlier: 5.990A pdb=" N ASP b 14 " --> pdb=" O LEU b 10 " (cutoff:3.500A) Processing helix chain 'b' and resid 73 through 78 removed outlier: 3.793A pdb=" N LEU b 77 " --> pdb=" O ARG b 73 " (cutoff:3.500A) removed outlier: 5.507A pdb=" N VAL b 78 " --> pdb=" O GLY b 74 " (cutoff:3.500A) No H-bonds generated for 'chain 'b' and resid 73 through 78' Processing helix chain 'y' and resid 18 through 27 Processing helix chain 'y' and resid 56 through 67 Processing helix chain 'a' and resid 4 through 14 removed outlier: 3.616A pdb=" N GLU a 14 " --> pdb=" O LEU a 10 " (cutoff:3.500A) Processing helix chain 'a' and resid 64 through 69 removed outlier: 3.503A pdb=" N ILE a 68 " --> pdb=" O ARG a 64 " (cutoff:3.500A) removed outlier: 5.587A pdb=" N ARG a 69 " --> pdb=" O GLY a 65 " (cutoff:3.500A) No H-bonds generated for 'chain 'a' and resid 64 through 69' Processing helix chain 'c' and resid 2 through 11 removed outlier: 4.035A pdb=" N PHE c 6 " --> pdb=" O LYS c 2 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N LEU c 10 " --> pdb=" O PHE c 6 " (cutoff:3.500A) removed outlier: 4.719A pdb=" N SER c 11 " --> pdb=" O LEU c 7 " (cutoff:3.500A) Processing helix chain 'c' and resid 75 through 81 removed outlier: 3.655A pdb=" N VAL c 81 " --> pdb=" O ASP c 77 " (cutoff:3.500A) Processing helix chain 'j' and resid 2 through 11 removed outlier: 4.034A pdb=" N PHE j 6 " --> pdb=" O LYS j 2 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N LEU j 10 " --> pdb=" O PHE j 6 " (cutoff:3.500A) removed outlier: 4.717A pdb=" N SER j 11 " --> pdb=" O LEU j 7 " (cutoff:3.500A) Processing helix chain 'j' and resid 75 through 81 removed outlier: 3.653A pdb=" N VAL j 81 " --> pdb=" O ASP j 77 " (cutoff:3.500A) Processing helix chain 'd' and resid 20 through 27 Processing helix chain 'd' and resid 28 through 39 removed outlier: 4.813A pdb=" N LEU d 32 " --> pdb=" O PRO d 28 " (cutoff:3.500A) Processing helix chain 'f' and resid 6 through 16 removed outlier: 5.812A pdb=" N GLY f 16 " --> pdb=" O ASN f 12 " (cutoff:3.500A) Processing helix chain 'e' and resid 16 through 28 Processing helix chain 'e' and resid 80 through 85 removed outlier: 4.510A pdb=" N ILE e 84 " --> pdb=" O LYS e 80 " (cutoff:3.500A) removed outlier: 5.716A pdb=" N THR e 85 " --> pdb=" O GLY e 81 " (cutoff:3.500A) No H-bonds generated for 'chain 'e' and resid 80 through 85' Processing helix chain 'l' and resid 16 through 28 Processing helix chain 'l' and resid 80 through 85 removed outlier: 4.510A pdb=" N ILE l 84 " --> pdb=" O LYS l 80 " (cutoff:3.500A) removed outlier: 5.716A pdb=" N THR l 85 " --> pdb=" O GLY l 81 " (cutoff:3.500A) No H-bonds generated for 'chain 'l' and resid 80 through 85' Processing helix chain 'g' and resid 63 through 68 removed outlier: 3.685A pdb=" N ILE g 67 " --> pdb=" O ARG g 63 " (cutoff:3.500A) removed outlier: 5.663A pdb=" N ILE g 68 " --> pdb=" O GLY g 64 " (cutoff:3.500A) No H-bonds generated for 'chain 'g' and resid 63 through 68' Processing helix chain 'q' and resid 26 through 37 removed outlier: 3.721A pdb=" N LYS q 32 " --> pdb=" O ARG q 28 " (cutoff:3.500A) Processing helix chain 'q' and resid 48 through 53 removed outlier: 5.295A pdb=" N ILE q 53 " --> pdb=" O GLU q 49 " (cutoff:3.500A) Processing helix chain 'q' and resid 71 through 133 removed outlier: 3.728A pdb=" N LEU q 87 " --> pdb=" O ASP q 83 " (cutoff:3.500A) removed outlier: 3.558A pdb=" N PHE q 90 " --> pdb=" O MET q 86 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N LEU q 92 " --> pdb=" O HIS q 88 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N GLN q 95 " --> pdb=" O THR q 91 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N THR q 98 " --> pdb=" O GLN q 94 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N GLN q 101 " --> pdb=" O GLN q 97 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N ARG q 115 " --> pdb=" O ASP q 111 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N VAL q 116 " --> pdb=" O ALA q 112 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N THR q 125 " --> pdb=" O THR q 121 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N THR q 133 " --> pdb=" O GLU q 129 " (cutoff:3.500A) Processing helix chain 's' and resid 26 through 37 Processing helix chain 's' and resid 48 through 53 removed outlier: 3.720A pdb=" N LEU s 52 " --> pdb=" O SER s 48 " (cutoff:3.500A) removed outlier: 5.707A pdb=" N ILE s 53 " --> pdb=" O GLU s 49 " (cutoff:3.500A) No H-bonds generated for 'chain 's' and resid 48 through 53' Processing helix chain 's' and resid 71 through 134 removed outlier: 3.639A pdb=" N LEU s 75 " --> pdb=" O ILE s 71 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N ALA s 84 " --> pdb=" O ASP s 80 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N THR s 91 " --> pdb=" O LEU s 87 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N GLN s 95 " --> pdb=" O THR s 91 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N GLU s 102 " --> pdb=" O THR s 98 " (cutoff:3.500A) removed outlier: 3.611A pdb=" N VAL s 116 " --> pdb=" O ALA s 112 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N ILE s 117 " --> pdb=" O ALA s 113 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N LYS s 122 " --> pdb=" O ALA s 118 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N GLU s 129 " --> pdb=" O THR s 125 " (cutoff:3.500A) Processing helix chain 'r' and resid 26 through 37 Processing helix chain 'r' and resid 69 through 75 Processing helix chain 'r' and resid 78 through 133 removed outlier: 3.603A pdb=" N HIS r 88 " --> pdb=" O ALA r 84 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N LYS r 122 " --> pdb=" O ALA r 118 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N THR r 125 " --> pdb=" O THR r 121 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N ALA r 126 " --> pdb=" O LYS r 122 " (cutoff:3.500A) Processing helix chain 't' and resid 26 through 37 Processing helix chain 't' and resid 71 through 132 removed outlier: 3.708A pdb=" N LYS t 76 " --> pdb=" O PRO t 72 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N LEU t 87 " --> pdb=" O ASP t 83 " (cutoff:3.500A) removed outlier: 3.943A pdb=" N LEU t 92 " --> pdb=" O HIS t 88 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N ARG t 93 " --> pdb=" O SER t 89 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N GLN t 95 " --> pdb=" O THR t 91 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N LEU t 96 " --> pdb=" O LEU t 92 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N GLN t 109 " --> pdb=" O HIS t 105 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N CYS t 114 " --> pdb=" O HIS t 110 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ARG t 115 " --> pdb=" O ASP t 111 " (cutoff:3.500A) removed outlier: 4.100A pdb=" N ALA t 118 " --> pdb=" O CYS t 114 " (cutoff:3.500A) removed outlier: 3.675A pdb=" N ARG t 119 " --> pdb=" O ARG t 115 " (cutoff:3.500A) Processing helix chain 'h' and resid 4 through 14 removed outlier: 3.617A pdb=" N GLU h 14 " --> pdb=" O LEU h 10 " (cutoff:3.500A) Processing helix chain 'h' and resid 64 through 69 removed outlier: 3.501A pdb=" N ILE h 68 " --> pdb=" O ARG h 64 " (cutoff:3.500A) removed outlier: 5.585A pdb=" N ARG h 69 " --> pdb=" O GLY h 65 " (cutoff:3.500A) No H-bonds generated for 'chain 'h' and resid 64 through 69' Processing helix chain 'h' and resid 74 through 79 removed outlier: 4.842A pdb=" N LYS h 78 " --> pdb=" O PRO h 74 " (cutoff:3.500A) removed outlier: 4.736A pdb=" N ASN h 79 " --> pdb=" O ASP h 75 " (cutoff:3.500A) No H-bonds generated for 'chain 'h' and resid 74 through 79' Processing helix chain 'i' and resid 6 through 14 removed outlier: 4.264A pdb=" N LEU i 10 " --> pdb=" O SER i 6 " (cutoff:3.500A) removed outlier: 4.671A pdb=" N HIS i 12 " --> pdb=" O LYS i 8 " (cutoff:3.500A) removed outlier: 5.989A pdb=" N ASP i 14 " --> pdb=" O LEU i 10 " (cutoff:3.500A) Processing helix chain 'i' and resid 73 through 78 removed outlier: 3.795A pdb=" N LEU i 77 " --> pdb=" O ARG i 73 " (cutoff:3.500A) removed outlier: 5.508A pdb=" N VAL i 78 " --> pdb=" O GLY i 74 " (cutoff:3.500A) No H-bonds generated for 'chain 'i' and resid 73 through 78' Processing helix chain 'k' and resid 20 through 27 Processing helix chain 'k' and resid 28 through 39 removed outlier: 4.808A pdb=" N LEU k 32 " --> pdb=" O PRO k 28 " (cutoff:3.500A) Processing helix chain 'm' and resid 6 through 16 removed outlier: 5.812A pdb=" N GLY m 16 " --> pdb=" O ASN m 12 " (cutoff:3.500A) Processing helix chain 'n' and resid 63 through 68 removed outlier: 3.685A pdb=" N ILE n 67 " --> pdb=" O ARG n 63 " (cutoff:3.500A) removed outlier: 5.664A pdb=" N ILE n 68 " --> pdb=" O GLY n 64 " (cutoff:3.500A) No H-bonds generated for 'chain 'n' and resid 63 through 68' Processing helix chain 'o' and resid 5 through 12 removed outlier: 3.512A pdb=" N GLN o 11 " --> pdb=" O GLU o 7 " (cutoff:3.500A) Processing helix chain 'o' and resid 82 through 87 removed outlier: 3.574A pdb=" N ALA o 86 " --> pdb=" O GLY o 82 " (cutoff:3.500A) Processing helix chain 'o' and resid 102 through 113 removed outlier: 3.767A pdb=" N LEU o 106 " --> pdb=" O GLU o 102 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N ASP o 107 " --> pdb=" O LEU o 103 " (cutoff:3.500A) Proline residue: o 108 - end of helix removed outlier: 4.645A pdb=" N SER o 111 " --> pdb=" O ASP o 107 " (cutoff:3.500A) removed outlier: 4.584A pdb=" N LEU o 112 " --> pdb=" O PRO o 108 " (cutoff:3.500A) removed outlier: 5.617A pdb=" N LYS o 113 " --> pdb=" O LEU o 109 " (cutoff:3.500A) No H-bonds generated for 'chain 'o' and resid 102 through 113' Processing helix chain 'o' and resid 123 through 128 removed outlier: 4.534A pdb=" N ASN o 127 " --> pdb=" O ASN o 123 " (cutoff:3.500A) removed outlier: 4.199A pdb=" N LYS o 128 " --> pdb=" O PRO o 124 " (cutoff:3.500A) No H-bonds generated for 'chain 'o' and resid 123 through 128' Processing helix chain 'o' and resid 130 through 139 Processing helix chain 'o' and resid 151 through 163 removed outlier: 4.599A pdb=" N PHE o 162 " --> pdb=" O ALA o 158 " (cutoff:3.500A) Processing helix chain 'p' and resid 19 through 33 removed outlier: 4.194A pdb=" N GLN p 33 " --> pdb=" O ALA p 29 " (cutoff:3.500A) Processing helix chain 'p' and resid 58 through 69 removed outlier: 3.518A pdb=" N SER p 62 " --> pdb=" O GLU p 58 " (cutoff:3.500A) Processing helix chain 'p' and resid 88 through 96 Processing helix chain '1' and resid 31 through 46 removed outlier: 3.799A pdb=" N GLU 1 38 " --> pdb=" O ARG 1 34 " (cutoff:3.500A) Processing helix chain '1' and resid 64 through 69 Processing helix chain '1' and resid 88 through 93 removed outlier: 5.652A pdb=" N LYS 1 93 " --> pdb=" O PRO 1 89 " (cutoff:3.500A) Processing helix chain '1' and resid 162 through 168 removed outlier: 3.579A pdb=" N ASP 1 168 " --> pdb=" O ASP 1 164 " (cutoff:3.500A) Processing helix chain '1' and resid 174 through 200 removed outlier: 4.434A pdb=" N HIS 1 178 " --> pdb=" O ASN 1 174 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N MET 1 179 " --> pdb=" O PRO 1 175 " (cutoff:3.500A) removed outlier: 4.544A pdb=" N LYS 1 180 " --> pdb=" O GLU 1 176 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N ILE 1 181 " --> pdb=" O GLU 1 177 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N GLU 1 184 " --> pdb=" O LYS 1 180 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N LYS 1 187 " --> pdb=" O GLU 1 183 " (cutoff:3.500A) removed outlier: 3.826A pdb=" N LEU 1 190 " --> pdb=" O ALA 1 186 " (cutoff:3.500A) removed outlier: 3.877A pdb=" N THR 1 194 " --> pdb=" O LEU 1 190 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N LEU 1 195 " --> pdb=" O ALA 1 191 " (cutoff:3.500A) removed outlier: 3.605A pdb=" N LYS 1 196 " --> pdb=" O LYS 1 192 " (cutoff:3.500A) Processing helix chain '1' and resid 272 through 278 removed outlier: 3.553A pdb=" N ARG 1 276 " --> pdb=" O ALA 1 272 " (cutoff:3.500A) removed outlier: 4.663A pdb=" N ASN 1 277 " --> pdb=" O LYS 1 273 " (cutoff:3.500A) removed outlier: 4.599A pdb=" N LEU 1 278 " --> pdb=" O TYR 1 274 " (cutoff:3.500A) No H-bonds generated for 'chain '1' and resid 272 through 278' Processing helix chain '1' and resid 311 through 319 removed outlier: 4.010A pdb=" N VAL 1 315 " --> pdb=" O GLY 1 311 " (cutoff:3.500A) removed outlier: 4.418A pdb=" N TYR 1 317 " --> pdb=" O ASN 1 313 " (cutoff:3.500A) removed outlier: 4.749A pdb=" N THR 1 318 " --> pdb=" O PHE 1 314 " (cutoff:3.500A) removed outlier: 5.281A pdb=" N GLY 1 319 " --> pdb=" O VAL 1 315 " (cutoff:3.500A) Processing helix chain '1' and resid 320 through 338 removed outlier: 3.518A pdb=" N THR 1 327 " --> pdb=" O SER 1 323 " (cutoff:3.500A) Processing helix chain '1' and resid 346 through 363 removed outlier: 3.613A pdb=" N VAL 1 359 " --> pdb=" O LYS 1 355 " (cutoff:3.500A) removed outlier: 4.367A pdb=" N ASP 1 363 " --> pdb=" O VAL 1 359 " (cutoff:3.500A) Processing helix chain 'v' and resid 53 through 68 Processing helix chain 'v' and resid 106 through 113 Processing helix chain 'v' and resid 115 through 142 removed outlier: 4.108A pdb=" N VAL v 121 " --> pdb=" O GLU v 117 " (cutoff:3.500A) Processing helix chain 'w' and resid 85 through 94 Processing helix chain 'w' and resid 123 through 134 Processing helix chain 'u' and resid 39 through 44 removed outlier: 3.875A pdb=" N MET u 43 " --> pdb=" O THR u 39 " (cutoff:3.500A) removed outlier: 4.673A pdb=" N GLY u 44 " --> pdb=" O PHE u 40 " (cutoff:3.500A) No H-bonds generated for 'chain 'u' and resid 39 through 44' Processing helix chain 'u' and resid 46 through 57 Processing helix chain 'u' and resid 62 through 75 removed outlier: 3.677A pdb=" N ILE u 69 " --> pdb=" O GLN u 65 " (cutoff:3.500A) removed outlier: 5.712A pdb=" N LYS u 70 " --> pdb=" O GLN u 66 " (cutoff:3.500A) removed outlier: 4.116A pdb=" N GLN u 71 " --> pdb=" O ARG u 67 " (cutoff:3.500A) Processing helix chain 'u' and resid 87 through 100 Processing helix chain 'u' and resid 115 through 131 Processing helix chain 'u' and resid 145 through 156 Processing helix chain 'u' and resid 163 through 174 Processing helix chain 'u' and resid 188 through 194 Processing helix chain 'u' and resid 195 through 209 removed outlier: 7.461A pdb=" N GLU u 199 " --> pdb=" O LYS u 195 " (cutoff:3.500A) removed outlier: 5.076A pdb=" N GLN u 200 " --> pdb=" O GLY u 196 " (cutoff:3.500A) removed outlier: 4.171A pdb=" N TYR u 207 " --> pdb=" O ASP u 203 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N LEU u 208 " --> pdb=" O VAL u 204 " (cutoff:3.500A) Proline residue: u 209 - end of helix Processing helix chain 'u' and resid 222 through 233 removed outlier: 3.558A pdb=" N MET u 228 " --> pdb=" O GLU u 224 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N THR u 229 " --> pdb=" O ILE u 225 " (cutoff:3.500A) removed outlier: 5.052A pdb=" N ASN u 230 " --> pdb=" O LEU u 226 " (cutoff:3.500A) removed outlier: 6.074A pdb=" N LYS u 231 " --> pdb=" O GLU u 227 " (cutoff:3.500A) removed outlier: 4.673A pdb=" N PHE u 232 " --> pdb=" O MET u 228 " (cutoff:3.500A) Processing helix chain 'u' and resid 242 through 247 removed outlier: 4.582A pdb=" N THR u 247 " --> pdb=" O ARG u 243 " (cutoff:3.500A) Processing helix chain 'u' and resid 260 through 276 removed outlier: 3.927A pdb=" N LYS u 264 " --> pdb=" O ARG u 260 " (cutoff:3.500A) removed outlier: 4.144A pdb=" N PHE u 265 " --> pdb=" O GLU u 261 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N ASP u 266 " --> pdb=" O GLU u 262 " (cutoff:3.500A) removed outlier: 4.301A pdb=" N ASP u 273 " --> pdb=" O CYS u 269 " (cutoff:3.500A) removed outlier: 4.851A pdb=" N THR u 274 " --> pdb=" O ASP u 270 " (cutoff:3.500A) Processing helix chain 'u' and resid 286 through 301 removed outlier: 3.500A pdb=" N ALA u 300 " --> pdb=" O LYS u 296 " (cutoff:3.500A) Processing helix chain 'u' and resid 312 through 326 Processing helix chain 'u' and resid 334 through 339 removed outlier: 4.042A pdb=" N ALA u 338 " --> pdb=" O THR u 334 " (cutoff:3.500A) removed outlier: 4.273A pdb=" N ARG u 339 " --> pdb=" O ASP u 335 " (cutoff:3.500A) No H-bonds generated for 'chain 'u' and resid 334 through 339' Processing helix chain 'u' and resid 357 through 370 removed outlier: 3.629A pdb=" N TYR u 361 " --> pdb=" O ASN u 357 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N ILE u 362 " --> pdb=" O ARG u 358 " (cutoff:3.500A) removed outlier: 4.618A pdb=" N SER u 368 " --> pdb=" O ARG u 364 " (cutoff:3.500A) removed outlier: 5.071A pdb=" N GLY u 369 " --> pdb=" O ILE u 365 " (cutoff:3.500A) removed outlier: 5.175A pdb=" N ARG u 370 " --> pdb=" O GLY u 366 " (cutoff:3.500A) Processing helix chain 'u' and resid 384 through 397 removed outlier: 4.299A pdb=" N ILE u 388 " --> pdb=" O ASP u 384 " (cutoff:3.500A) Processing helix chain 'x' and resid 171 through 176 removed outlier: 5.615A pdb=" N ARG x 176 " --> pdb=" O ASP x 172 " (cutoff:3.500A) Processing helix chain '3' and resid 340 through 351 Processing sheet with id= 1, first strand: chain 'A' and resid 127 through 130 removed outlier: 3.592A pdb=" N TYR A 120 " --> pdb=" O GLN A 483 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 226 through 230 removed outlier: 6.723A pdb=" N GLN A 226 " --> pdb=" O THR A 418 " (cutoff:3.500A) removed outlier: 5.380A pdb=" N THR A 418 " --> pdb=" O GLN A 226 " (cutoff:3.500A) removed outlier: 5.805A pdb=" N ARG A 414 " --> pdb=" O PHE A 230 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'A' and resid 515 through 519 removed outlier: 8.580A pdb=" N TYR A 515 " --> pdb=" O VAL A 527 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N LYS A 525 " --> pdb=" O HIS A 517 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N ASP A 519 " --> pdb=" O ASN A 523 " (cutoff:3.500A) removed outlier: 4.226A pdb=" N ASN A 523 " --> pdb=" O ASP A 519 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'A' and resid 904 through 911 removed outlier: 4.392A pdb=" N HIS A 904 " --> pdb=" O LEU A 901 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'A' and resid 1086 through 1091 removed outlier: 3.549A pdb=" N TYR A1091 " --> pdb=" O ARG A1094 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'A' and resid 1184 through 1189 removed outlier: 4.889A pdb=" N PHE A1192 " --> pdb=" O MET A1189 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N LEU A1197 " --> pdb=" O GLN A1227 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N ALA A1226 " --> pdb=" O LEU A1216 " (cutoff:3.500A) removed outlier: 6.109A pdb=" N GLY A1212 " --> pdb=" O LEU A1230 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'A' and resid 1333 through 1338 removed outlier: 6.571A pdb=" N VAL A1333 " --> pdb=" O GLY A1356 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'A' and resid 1607 through 1612 removed outlier: 3.641A pdb=" N THR A1608 " --> pdb=" O PHE A1632 " (cutoff:3.500A) removed outlier: 6.440A pdb=" N ASP A1628 " --> pdb=" O GLU A1612 " (cutoff:3.500A) removed outlier: 5.459A pdb=" N THR A1699 " --> pdb=" O LYS A1659 " (cutoff:3.500A) removed outlier: 3.689A pdb=" N TRP A1661 " --> pdb=" O THR A1699 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N LEU A1711 " --> pdb=" O ASP A1706 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'A' and resid 1636 through 1640 Processing sheet with id= 10, first strand: chain 'A' and resid 1787 through 1792 removed outlier: 4.906A pdb=" N ARG A1787 " --> pdb=" O ILE A1803 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'A' and resid 1882 through 1887 removed outlier: 3.519A pdb=" N SER A1887 " --> pdb=" O VAL A1863 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N GLN A1860 " --> pdb=" O ILE A1776 " (cutoff:3.500A) removed outlier: 8.831A pdb=" N ILE A1777 " --> pdb=" O PRO A1812 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N PHE A1810 " --> pdb=" O PHE A1779 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N PHE A1808 " --> pdb=" O ASP A1781 " (cutoff:3.500A) removed outlier: 4.020A pdb=" N ILE A1809 " --> pdb=" O PHE A1818 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N GLN A1816 " --> pdb=" O ASN A1811 " (cutoff:3.500A) removed outlier: 6.699A pdb=" N GLY A1815 " --> pdb=" O LEU A1919 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N LEU A1817 " --> pdb=" O PHE A1917 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N VAL A1915 " --> pdb=" O LEU A1819 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N GLN A1913 " --> pdb=" O ILE A1821 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'A' and resid 2138 through 2142 removed outlier: 4.458A pdb=" N GLN A2260 " --> pdb=" O TYR A2102 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'A' and resid 2222 through 2229 removed outlier: 3.872A pdb=" N GLY A2176 " --> pdb=" O LEU A2128 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N ILE A2124 " --> pdb=" O THR A2180 " (cutoff:3.500A) removed outlier: 7.149A pdb=" N ALA A2125 " --> pdb=" O VAL A2148 " (cutoff:3.500A) removed outlier: 5.132A pdb=" N VAL A2148 " --> pdb=" O ALA A2125 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'C' and resid 183 through 189 removed outlier: 5.659A pdb=" N GLY C 136 " --> pdb=" O THR C 205 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N ALA C 252 " --> pdb=" O ASP C 223 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N ILE C 229 " --> pdb=" O CYS C 256 " (cutoff:3.500A) removed outlier: 7.212A pdb=" N ASN C 306 " --> pdb=" O VAL C 253 " (cutoff:3.500A) removed outlier: 4.092A pdb=" N ILE C 257 " --> pdb=" O CYS C 308 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'C' and resid 347 through 351 Processing sheet with id= 16, first strand: chain 'C' and resid 479 through 483 removed outlier: 3.672A pdb=" N LYS C 480 " --> pdb=" O PHE C 493 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N ASN C 548 " --> pdb=" O VAL C 496 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'C' and resid 499 through 502 removed outlier: 6.933A pdb=" N GLY C 499 " --> pdb=" O ALA C 546 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'C' and resid 521 through 527 removed outlier: 7.467A pdb=" N ASP C 521 " --> pdb=" O GLY C 511 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N GLY C 511 " --> pdb=" O ASP C 521 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N GLN C 523 " --> pdb=" O VAL C 509 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N GLN C 505 " --> pdb=" O VAL C 527 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'C' and resid 530 through 533 removed outlier: 4.495A pdb=" N LEU C 530 " --> pdb=" O VAL C 541 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N VAL C 541 " --> pdb=" O LEU C 530 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'C' and resid 627 through 631 removed outlier: 3.886A pdb=" N HIS C 627 " --> pdb=" O VAL C 592 " (cutoff:3.500A) removed outlier: 6.231A pdb=" N LYS C 589 " --> pdb=" O PRO C 658 " (cutoff:3.500A) removed outlier: 5.193A pdb=" N ALA C 591 " --> pdb=" O ALA C 656 " (cutoff:3.500A) removed outlier: 8.278A pdb=" N ASP C 652 " --> pdb=" O VAL C 595 " (cutoff:3.500A) removed outlier: 40.380A pdb=" N ILE C 653 " --> pdb=" O ALA C 838 " (cutoff:3.500A) removed outlier: 35.605A pdb=" N ALA C 838 " --> pdb=" O ILE C 653 " (cutoff:3.500A) removed outlier: 32.781A pdb=" N VAL C 655 " --> pdb=" O VAL C 836 " (cutoff:3.500A) removed outlier: 28.810A pdb=" N VAL C 836 " --> pdb=" O VAL C 655 " (cutoff:3.500A) removed outlier: 25.308A pdb=" N ASP C 657 " --> pdb=" O VAL C 834 " (cutoff:3.500A) removed outlier: 21.481A pdb=" N VAL C 834 " --> pdb=" O ASP C 657 " (cutoff:3.500A) removed outlier: 16.618A pdb=" N VAL C 659 " --> pdb=" O TYR C 832 " (cutoff:3.500A) removed outlier: 12.710A pdb=" N TYR C 832 " --> pdb=" O VAL C 659 " (cutoff:3.500A) removed outlier: 8.262A pdb=" N THR C 661 " --> pdb=" O PRO C 830 " (cutoff:3.500A) removed outlier: 6.617A pdb=" N LYS C 872 " --> pdb=" O THR C 858 " (cutoff:3.500A) removed outlier: 4.208A pdb=" N HIS C 856 " --> pdb=" O PHE C 874 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'C' and resid 743 through 748 removed outlier: 3.633A pdb=" N ILE C 744 " --> pdb=" O VAL C 787 " (cutoff:3.500A) removed outlier: 6.548A pdb=" N THR C 686 " --> pdb=" O LEU C 792 " (cutoff:3.500A) removed outlier: 8.676A pdb=" N LYS C 682 " --> pdb=" O ALA C 797 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'C' and resid 827 through 838 No H-bonds generated for sheet with id= 22 Processing sheet with id= 23, first strand: chain 'C' and resid 859 through 863 removed outlier: 5.080A pdb=" N LEU C 868 " --> pdb=" O ILE C 863 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'D' and resid 434 through 438 removed outlier: 3.981A pdb=" N ALA D 449 " --> pdb=" O LEU D 685 " (cutoff:3.500A) removed outlier: 6.386A pdb=" N LEU D 685 " --> pdb=" O ALA D 449 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N VAL D 826 " --> pdb=" O GLU D 866 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'D' and resid 498 through 503 removed outlier: 3.961A pdb=" N ALA D 567 " --> pdb=" O ILE D 585 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'D' and resid 831 through 835 removed outlier: 7.964A pdb=" N THR D 831 " --> pdb=" O LEU D 844 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'D' and resid 1183 through 1192 removed outlier: 5.509A pdb=" N LYS D1183 " --> pdb=" O ASP D1207 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'D' and resid 1235 through 1242 removed outlier: 7.926A pdb=" N ALA D1220 " --> pdb=" O ASP D1273 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'D' and resid 1345 through 1350 removed outlier: 3.553A pdb=" N ILE D1424 " --> pdb=" O LYS D1404 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'D' and resid 1522 through 1529 removed outlier: 4.327A pdb=" N GLY D1618 " --> pdb=" O VAL D1643 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'D' and resid 1666 through 1671 removed outlier: 7.948A pdb=" N THR D1666 " --> pdb=" O TYR D1679 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'D' and resid 1802 through 1805 Processing sheet with id= 33, first strand: chain 'D' and resid 2017 through 2024 removed outlier: 4.964A pdb=" N VAL D2036 " --> pdb=" O VAL D2024 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N ARG D2043 " --> pdb=" O GLN D2086 " (cutoff:3.500A) removed outlier: 5.439A pdb=" N GLN D2086 " --> pdb=" O ARG D2043 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'D' and resid 2078 through 2083 removed outlier: 6.756A pdb=" N GLY D2063 " --> pdb=" O ASP D2111 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N HIS D2102 " --> pdb=" O VAL D2124 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'E' and resid 59 through 63 removed outlier: 4.591A pdb=" N MET E 60 " --> pdb=" O MET E 353 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N TYR E 352 " --> pdb=" O SER E 344 " (cutoff:3.500A) removed outlier: 5.145A pdb=" N ILE E 341 " --> pdb=" O HIS E 336 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'E' and resid 70 through 75 removed outlier: 3.553A pdb=" N CYS E 71 " --> pdb=" O ALA E 84 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N ALA E 84 " --> pdb=" O CYS E 71 " (cutoff:3.500A) removed outlier: 5.471A pdb=" N THR E 80 " --> pdb=" O HIS E 75 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N GLY E 85 " --> pdb=" O LEU E 89 " (cutoff:3.500A) removed outlier: 5.072A pdb=" N LEU E 89 " --> pdb=" O GLY E 85 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ALA E 103 " --> pdb=" O LEU E 92 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'E' and resid 114 through 118 removed outlier: 5.562A pdb=" N MET E 123 " --> pdb=" O ASN E 118 " (cutoff:3.500A) removed outlier: 4.362A pdb=" N THR E 132 " --> pdb=" O SER E 128 " (cutoff:3.500A) removed outlier: 4.175A pdb=" N VAL E 133 " --> pdb=" O LEU E 147 " (cutoff:3.500A) removed outlier: 3.883A pdb=" N LYS E 145 " --> pdb=" O VAL E 135 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'E' and resid 155 through 160 removed outlier: 4.669A pdb=" N LEU E 166 " --> pdb=" O ALA E 160 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N SER E 171 " --> pdb=" O THR E 175 " (cutoff:3.500A) removed outlier: 4.259A pdb=" N THR E 175 " --> pdb=" O SER E 171 " (cutoff:3.500A) removed outlier: 4.448A pdb=" N GLN E 188 " --> pdb=" O LEU E 178 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'E' and resid 197 through 202 removed outlier: 5.654A pdb=" N GLN E 207 " --> pdb=" O ASN E 202 " (cutoff:3.500A) removed outlier: 4.225A pdb=" N GLY E 212 " --> pdb=" O ASP E 216 " (cutoff:3.500A) removed outlier: 5.632A pdb=" N ASP E 216 " --> pdb=" O GLY E 212 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ILE E 217 " --> pdb=" O MET E 231 " (cutoff:3.500A) removed outlier: 3.784A pdb=" N TYR E 229 " --> pdb=" O VAL E 219 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'E' and resid 240 through 244 removed outlier: 4.449A pdb=" N GLY E 240 " --> pdb=" O ASN E 253 " (cutoff:3.500A) removed outlier: 5.794A pdb=" N TYR E 249 " --> pdb=" O SER E 244 " (cutoff:3.500A) removed outlier: 4.380A pdb=" N SER E 248 " --> pdb=" O VAL E 264 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N ALA E 254 " --> pdb=" O THR E 258 " (cutoff:3.500A) removed outlier: 4.065A pdb=" N THR E 258 " --> pdb=" O ALA E 254 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'E' and resid 290 through 294 removed outlier: 5.878A pdb=" N ARG E 290 " --> pdb=" O GLY E 303 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N ALA E 301 " --> pdb=" O SER E 292 " (cutoff:3.500A) removed outlier: 5.746A pdb=" N LYS E 299 " --> pdb=" O SER E 294 " (cutoff:3.500A) removed outlier: 7.926A pdb=" N SER E 298 " --> pdb=" O THR E 314 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N TYR E 310 " --> pdb=" O ALA E 302 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'O' and resid 36 through 40 removed outlier: 3.648A pdb=" N ARG O 56 " --> pdb=" O THR O 37 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'O' and resid 232 through 236 removed outlier: 5.602A pdb=" N THR O 232 " --> pdb=" O PHE O 274 " (cutoff:3.500A) removed outlier: 4.052A pdb=" N PHE O 274 " --> pdb=" O THR O 232 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N THR O 260 " --> pdb=" O GLN O 273 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'Q' and resid 494 through 497 removed outlier: 3.503A pdb=" N GLY Q 501 " --> pdb=" O SER Q 497 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'Q' and resid 511 through 514 removed outlier: 5.795A pdb=" N ASN Q 654 " --> pdb=" O ILE Q 514 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N VAL Q 535 " --> pdb=" O LEU Q 629 " (cutoff:3.500A) removed outlier: 6.389A pdb=" N ARG Q 536 " --> pdb=" O VAL Q 520 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'Q' and resid 711 through 714 removed outlier: 5.712A pdb=" N PHE Q 747 " --> pdb=" O PHE Q 714 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'Q' and resid 817 through 823 removed outlier: 3.523A pdb=" N THR Q 849 " --> pdb=" O LYS Q1033 " (cutoff:3.500A) removed outlier: 3.941A pdb=" N THR Q 853 " --> pdb=" O MET Q1037 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'Q' and resid 1176 through 1181 Processing sheet with id= 49, first strand: chain 'Q' and resid 1329 through 1333 Processing sheet with id= 50, first strand: chain 'R' and resid 174 through 180 Processing sheet with id= 51, first strand: chain 'S' and resid 54 through 57 Processing sheet with id= 52, first strand: chain 'S' and resid 97 through 101 removed outlier: 4.474A pdb=" N ILE S 97 " --> pdb=" O THR S 115 " (cutoff:3.500A) removed outlier: 5.785A pdb=" N GLN S 111 " --> pdb=" O ALA S 101 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'S' and resid 130 through 133 removed outlier: 6.270A pdb=" N VAL S 24 " --> pdb=" O CYS S 133 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain 'T' and resid 193 through 197 removed outlier: 6.484A pdb=" N VAL T 488 " --> pdb=" O TYR T 197 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain 'T' and resid 208 through 213 removed outlier: 5.593A pdb=" N TRP T 218 " --> pdb=" O GLU T 213 " (cutoff:3.500A) removed outlier: 4.510A pdb=" N THR T 227 " --> pdb=" O SER T 223 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain 'T' and resid 250 through 255 removed outlier: 4.970A pdb=" N TYR T 260 " --> pdb=" O SER T 255 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain 'T' and resid 292 through 297 removed outlier: 4.617A pdb=" N VAL T 302 " --> pdb=" O HIS T 297 " (cutoff:3.500A) removed outlier: 9.321A pdb=" N ASP T 301 " --> pdb=" O VAL T 317 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N VAL T 317 " --> pdb=" O ASP T 301 " (cutoff:3.500A) removed outlier: 6.782A pdb=" N ILE T 314 " --> pdb=" O VAL T 323 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ALA T 321 " --> pdb=" O ASP T 316 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'T' and resid 334 through 339 removed outlier: 5.667A pdb=" N GLN T 344 " --> pdb=" O GLN T 339 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ILE T 345 " --> pdb=" O TRP T 357 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N ARG T 355 " --> pdb=" O THR T 347 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N SER T 349 " --> pdb=" O THR T 353 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N THR T 353 " --> pdb=" O SER T 349 " (cutoff:3.500A) removed outlier: 3.882A pdb=" N VAL T 366 " --> pdb=" O LEU T 356 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'T' and resid 377 through 381 removed outlier: 3.917A pdb=" N ALA T 377 " --> pdb=" O GLY T 390 " (cutoff:3.500A) removed outlier: 5.347A pdb=" N THR T 386 " --> pdb=" O HIS T 381 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N GLN T 397 " --> pdb=" O GLN T 407 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N GLN T 407 " --> pdb=" O GLN T 397 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'T' and resid 418 through 422 removed outlier: 4.656A pdb=" N VAL T 426 " --> pdb=" O ASN T 422 " (cutoff:3.500A) removed outlier: 8.237A pdb=" N GLY T 425 " --> pdb=" O ASP T 440 " (cutoff:3.500A) removed outlier: 4.585A pdb=" N ASP T 440 " --> pdb=" O GLY T 425 " (cutoff:3.500A) removed outlier: 6.403A pdb=" N LEU T 427 " --> pdb=" O LEU T 438 " (cutoff:3.500A) removed outlier: 4.578A pdb=" N LEU T 438 " --> pdb=" O LEU T 427 " (cutoff:3.500A) removed outlier: 6.329A pdb=" N SER T 429 " --> pdb=" O MET T 436 " (cutoff:3.500A) removed outlier: 4.385A pdb=" N MET T 436 " --> pdb=" O SER T 429 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ALA T 431 " --> pdb=" O GLY T 434 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N GLN T 448 " --> pdb=" O LEU T 438 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain 'T' and resid 466 through 471 removed outlier: 3.598A pdb=" N ALA T 467 " --> pdb=" O ALA T 480 " (cutoff:3.500A) removed outlier: 5.995A pdb=" N ARG T 476 " --> pdb=" O ASP T 471 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain 'T' and resid 311 through 314 removed outlier: 3.604A pdb=" N HIS T 324 " --> pdb=" O ILE T 314 " (cutoff:3.500A) Processing sheet with id= 63, first strand: chain 'T' and resid 476 through 482 removed outlier: 4.268A pdb=" N THR T 485 " --> pdb=" O GLU T 481 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain 'W' and resid 282 through 285 removed outlier: 4.067A pdb=" N HIS W 282 " --> pdb=" O LEU W 577 " (cutoff:3.500A) removed outlier: 4.705A pdb=" N TRP W 284 " --> pdb=" O ILE W 575 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N ILE W 575 " --> pdb=" O TRP W 284 " (cutoff:3.500A) removed outlier: 4.664A pdb=" N LEU W 574 " --> pdb=" O GLY W 570 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N LYS W 576 " --> pdb=" O THR W 568 " (cutoff:3.500A) removed outlier: 4.148A pdb=" N VAL W 566 " --> pdb=" O TRP W 578 " (cutoff:3.500A) removed outlier: 5.598A pdb=" N GLY W 555 " --> pdb=" O CYS W 569 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain 'W' and resid 293 through 297 removed outlier: 4.087A pdb=" N ALA W 293 " --> pdb=" O CYS W 307 " (cutoff:3.500A) removed outlier: 4.483A pdb=" N PHE W 297 " --> pdb=" O LEU W 303 " (cutoff:3.500A) removed outlier: 6.323A pdb=" N LEU W 303 " --> pdb=" O PHE W 297 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N LEU W 304 " --> pdb=" O TRP W 316 " (cutoff:3.500A) removed outlier: 3.796A pdb=" N LYS W 314 " --> pdb=" O SER W 306 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N LYS W 312 " --> pdb=" O SER W 308 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N ARG W 326 " --> pdb=" O LEU W 315 " (cutoff:3.500A) Processing sheet with id= 66, first strand: chain 'W' and resid 336 through 341 removed outlier: 3.705A pdb=" N CYS W 339 " --> pdb=" O LEU W 348 " (cutoff:3.500A) removed outlier: 5.909A pdb=" N GLN W 346 " --> pdb=" O ASN W 341 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ALA W 351 " --> pdb=" O TYR W 355 " (cutoff:3.500A) removed outlier: 4.335A pdb=" N TYR W 355 " --> pdb=" O ALA W 351 " (cutoff:3.500A) removed outlier: 4.123A pdb=" N SER W 368 " --> pdb=" O LEU W 358 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain 'W' and resid 389 through 396 removed outlier: 8.575A pdb=" N ASN W 389 " --> pdb=" O ILE W 405 " (cutoff:3.500A) removed outlier: 4.050A pdb=" N LYS W 399 " --> pdb=" O MET W 395 " (cutoff:3.500A) removed outlier: 3.804A pdb=" N GLN W 412 " --> pdb=" O GLN W 402 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'W' and resid 423 through 426 removed outlier: 3.804A pdb=" N THR W 423 " --> pdb=" O THR W 436 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N SER W 437 " --> pdb=" O SER W 441 " (cutoff:3.500A) removed outlier: 5.335A pdb=" N SER W 441 " --> pdb=" O SER W 437 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N VAL W 444 " --> pdb=" O LYS W 454 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N LYS W 454 " --> pdb=" O VAL W 444 " (cutoff:3.500A) Processing sheet with id= 69, first strand: chain 'W' and resid 475 through 481 Processing sheet with id= 70, first strand: chain 'W' and resid 521 through 526 removed outlier: 7.678A pdb=" N SER W 521 " --> pdb=" O TRP W 537 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N SER W 525 " --> pdb=" O ASN W 533 " (cutoff:3.500A) removed outlier: 4.221A pdb=" N LEU W 532 " --> pdb=" O PHE W 546 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain 'Y' and resid 582 through 587 removed outlier: 6.042A pdb=" N GLN Y 582 " --> pdb=" O MET Y 711 " (cutoff:3.500A) removed outlier: 3.934A pdb=" N ASP Y 685 " --> pdb=" O THR Y 616 " (cutoff:3.500A) Processing sheet with id= 72, first strand: chain 'Y' and resid 742 through 745 removed outlier: 6.314A pdb=" N TYR Y 852 " --> pdb=" O PRO Y 896 " (cutoff:3.500A) Processing sheet with id= 73, first strand: chain 'Y' and resid 861 through 867 removed outlier: 3.517A pdb=" N ILE Y 871 " --> pdb=" O ASN Y 866 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'Y' and resid 1130 through 1133 removed outlier: 5.034A pdb=" N GLY Y1123 " --> pdb=" O ASP Y1119 " (cutoff:3.500A) removed outlier: 7.736A pdb=" N ALA Y1115 " --> pdb=" O LEU Y1127 " (cutoff:3.500A) removed outlier: 5.350A pdb=" N ASN Y1114 " --> pdb=" O TYR Y1151 " (cutoff:3.500A) removed outlier: 4.581A pdb=" N TRP Y1148 " --> pdb=" O ILE Y1168 " (cutoff:3.500A) removed outlier: 7.280A pdb=" N GLU Y1164 " --> pdb=" O HIS Y1152 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain 'Y' and resid 1153 through 1157 removed outlier: 3.760A pdb=" N LYS Y1159 " --> pdb=" O THR Y1157 " (cutoff:3.500A) Processing sheet with id= 76, first strand: chain 'Z' and resid 644 through 651 removed outlier: 3.998A pdb=" N ARG Z 644 " --> pdb=" O PHE Z 681 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ASN Z 679 " --> pdb=" O PHE Z 646 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N LYS Z 677 " --> pdb=" O ARG Z 648 " (cutoff:3.500A) removed outlier: 7.619A pdb=" N GLN Z 674 " --> pdb=" O PHE Z 751 " (cutoff:3.500A) removed outlier: 4.285A pdb=" N GLY Z 743 " --> pdb=" O TYR Z 682 " (cutoff:3.500A) Processing sheet with id= 77, first strand: chain 'Z' and resid 692 through 698 Processing sheet with id= 78, first strand: chain 'b' and resid 40 through 43 Processing sheet with id= 79, first strand: chain 'b' and resid 63 through 68 removed outlier: 7.785A pdb=" N GLU b 63 " --> pdb=" O ARG b 49 " (cutoff:3.500A) removed outlier: 6.216A pdb=" N CYS b 45 " --> pdb=" O LEU b 67 " (cutoff:3.500A) removed outlier: 5.841A pdb=" N ASP b 44 " --> pdb=" O THR b 30 " (cutoff:3.500A) removed outlier: 4.761A pdb=" N THR b 30 " --> pdb=" O ASP b 44 " (cutoff:3.500A) removed outlier: 4.038A pdb=" N TYR b 15 " --> pdb=" O PHE b 31 " (cutoff:3.500A) Processing sheet with id= 80, first strand: chain 'y' and resid 34 through 37 removed outlier: 5.610A pdb=" N ARG y 6 " --> pdb=" O PHE y 54 " (cutoff:3.500A) Processing sheet with id= 81, first strand: chain 'a' and resid 41 through 44 Processing sheet with id= 82, first strand: chain 'a' and resid 54 through 59 removed outlier: 4.559A pdb=" N ARG a 54 " --> pdb=" O TYR a 50 " (cutoff:3.500A) removed outlier: 5.890A pdb=" N ASN a 45 " --> pdb=" O LYS a 31 " (cutoff:3.500A) removed outlier: 4.851A pdb=" N LYS a 31 " --> pdb=" O ASN a 45 " (cutoff:3.500A) removed outlier: 4.179A pdb=" N HIS a 16 " --> pdb=" O LEU a 32 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain 'c' and resid 52 through 55 removed outlier: 4.277A pdb=" N THR c 23 " --> pdb=" O LEU c 19 " (cutoff:3.500A) Processing sheet with id= 84, first strand: chain 'j' and resid 52 through 55 removed outlier: 4.276A pdb=" N THR j 23 " --> pdb=" O LEU j 19 " (cutoff:3.500A) Processing sheet with id= 85, first strand: chain 'd' and resid 89 through 96 removed outlier: 3.708A pdb=" N LYS d 50 " --> pdb=" O CYS d 46 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain 'f' and resid 57 through 60 removed outlier: 3.573A pdb=" N GLY f 57 " --> pdb=" O GLU f 49 " (cutoff:3.500A) removed outlier: 5.825A pdb=" N THR f 47 " --> pdb=" O LEU f 59 " (cutoff:3.500A) removed outlier: 5.761A pdb=" N ASN f 46 " --> pdb=" O TYR f 32 " (cutoff:3.500A) removed outlier: 5.533A pdb=" N TYR f 32 " --> pdb=" O ASN f 46 " (cutoff:3.500A) removed outlier: 4.209A pdb=" N LYS f 17 " --> pdb=" O LEU f 33 " (cutoff:3.500A) Processing sheet with id= 87, first strand: chain 'e' and resid 69 through 74 removed outlier: 5.724A pdb=" N ALA e 61 " --> pdb=" O LEU e 74 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N ASN e 40 " --> pdb=" O SER e 66 " (cutoff:3.500A) removed outlier: 4.035A pdb=" N ARG e 30 " --> pdb=" O VAL e 90 " (cutoff:3.500A) Processing sheet with id= 88, first strand: chain 'l' and resid 69 through 74 removed outlier: 5.724A pdb=" N ALA l 61 " --> pdb=" O LEU l 74 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N ASN l 40 " --> pdb=" O SER l 66 " (cutoff:3.500A) removed outlier: 4.035A pdb=" N ARG l 30 " --> pdb=" O VAL l 90 " (cutoff:3.500A) Processing sheet with id= 89, first strand: chain 'g' and resid 53 through 57 removed outlier: 4.015A pdb=" N GLN g 53 " --> pdb=" O ALA g 49 " (cutoff:3.500A) removed outlier: 5.829A pdb=" N CYS g 45 " --> pdb=" O ILE g 57 " (cutoff:3.500A) removed outlier: 4.673A pdb=" N HIS g 26 " --> pdb=" O MET g 48 " (cutoff:3.500A) removed outlier: 6.552A pdb=" N LYS g 16 " --> pdb=" O LEU g 73 " (cutoff:3.500A) Processing sheet with id= 90, first strand: chain 'r' and resid 15 through 18 Processing sheet with id= 91, first strand: chain 't' and resid 15 through 18 Processing sheet with id= 92, first strand: chain 'h' and resid 41 through 44 Processing sheet with id= 93, first strand: chain 'h' and resid 54 through 59 removed outlier: 4.558A pdb=" N ARG h 54 " --> pdb=" O TYR h 50 " (cutoff:3.500A) removed outlier: 5.889A pdb=" N ASN h 45 " --> pdb=" O LYS h 31 " (cutoff:3.500A) removed outlier: 4.850A pdb=" N LYS h 31 " --> pdb=" O ASN h 45 " (cutoff:3.500A) removed outlier: 4.179A pdb=" N HIS h 16 " --> pdb=" O LEU h 32 " (cutoff:3.500A) Processing sheet with id= 94, first strand: chain 'i' and resid 40 through 43 Processing sheet with id= 95, first strand: chain 'i' and resid 63 through 68 removed outlier: 7.784A pdb=" N GLU i 63 " --> pdb=" O ARG i 49 " (cutoff:3.500A) removed outlier: 6.215A pdb=" N CYS i 45 " --> pdb=" O LEU i 67 " (cutoff:3.500A) removed outlier: 5.841A pdb=" N ASP i 44 " --> pdb=" O THR i 30 " (cutoff:3.500A) removed outlier: 4.762A pdb=" N THR i 30 " --> pdb=" O ASP i 44 " (cutoff:3.500A) removed outlier: 4.036A pdb=" N TYR i 15 " --> pdb=" O PHE i 31 " (cutoff:3.500A) Processing sheet with id= 96, first strand: chain 'k' and resid 90 through 96 removed outlier: 3.707A pdb=" N LYS k 50 " --> pdb=" O CYS k 46 " (cutoff:3.500A) Processing sheet with id= 97, first strand: chain 'm' and resid 57 through 60 removed outlier: 3.571A pdb=" N GLY m 57 " --> pdb=" O GLU m 49 " (cutoff:3.500A) removed outlier: 5.828A pdb=" N THR m 47 " --> pdb=" O LEU m 59 " (cutoff:3.500A) removed outlier: 5.761A pdb=" N ASN m 46 " --> pdb=" O TYR m 32 " (cutoff:3.500A) removed outlier: 5.533A pdb=" N TYR m 32 " --> pdb=" O ASN m 46 " (cutoff:3.500A) removed outlier: 4.211A pdb=" N LYS m 17 " --> pdb=" O LEU m 33 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain 'n' and resid 54 through 57 removed outlier: 5.827A pdb=" N CYS n 45 " --> pdb=" O ILE n 57 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N HIS n 26 " --> pdb=" O MET n 48 " (cutoff:3.500A) removed outlier: 6.551A pdb=" N LYS n 16 " --> pdb=" O LEU n 73 " (cutoff:3.500A) Processing sheet with id= 99, first strand: chain 'o' and resid 13 through 16 removed outlier: 4.349A pdb=" N ALA o 13 " --> pdb=" O ASP o 25 " (cutoff:3.500A) removed outlier: 5.146A pdb=" N SER o 50 " --> pdb=" O LEU o 26 " (cutoff:3.500A) removed outlier: 5.088A pdb=" N ASN o 72 " --> pdb=" O PHE o 49 " (cutoff:3.500A) removed outlier: 5.088A pdb=" N THR o 96 " --> pdb=" O VAL o 71 " (cutoff:3.500A) removed outlier: 5.394A pdb=" N LEU o 121 " --> pdb=" O LEU o 95 " (cutoff:3.500A) Processing sheet with id=100, first strand: chain 'p' and resid 39 through 42 removed outlier: 3.521A pdb=" N ASP p 39 " --> pdb=" O ILE p 55 " (cutoff:3.500A) removed outlier: 3.983A pdb=" N PHE p 72 " --> pdb=" O MET p 79 " (cutoff:3.500A) removed outlier: 7.101A pdb=" N ILE p 81 " --> pdb=" O GLN p 70 " (cutoff:3.500A) removed outlier: 7.038A pdb=" N GLN p 70 " --> pdb=" O ILE p 81 " (cutoff:3.500A) Processing sheet with id=101, first strand: chain 'v' and resid 44 through 52 removed outlier: 3.551A pdb=" N VAL v 44 " --> pdb=" O SER v 38 " (cutoff:3.500A) removed outlier: 4.498A pdb=" N SER v 38 " --> pdb=" O VAL v 44 " (cutoff:3.500A) removed outlier: 5.191A pdb=" N GLY v 30 " --> pdb=" O VAL v 52 " (cutoff:3.500A) Processing sheet with id=102, first strand: chain 'w' and resid 101 through 104 removed outlier: 3.745A pdb=" N ASN w 101 " --> pdb=" O GLU w 120 " (cutoff:3.500A) Processing sheet with id=103, first strand: chain 'u' and resid 136 through 140 Processing sheet with id=104, first strand: chain 'u' and resid 304 through 307 removed outlier: 5.727A pdb=" N SER u 347 " --> pdb=" O LYS u 374 " (cutoff:3.500A) removed outlier: 5.017A pdb=" N ALA u 257 " --> pdb=" O MET u 403 " (cutoff:3.500A) 5223 hydrogen bonds defined for protein. 15472 hydrogen bond angles defined for protein. Restraints generated for nucleic acids: 213 hydrogen bonds 402 hydrogen bond angles 0 basepair planarities 86 basepair parallelities 182 stacking parallelities Total time for adding SS restraints: 62.76 Time building geometry restraints manager: 34.99 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.11 - 1.26: 17579 1.26 - 1.40: 26303 1.40 - 1.55: 62583 1.55 - 1.69: 1883 1.69 - 1.84: 545 Bond restraints: 108893 Sorted by residual: bond pdb=" N PRO A1724 " pdb=" CA PRO A1724 " ideal model delta sigma weight residual 1.469 1.680 -0.211 1.28e-02 6.10e+03 2.72e+02 bond pdb=" C6 ATP Q1501 " pdb=" N6 ATP Q1501 " ideal model delta sigma weight residual 1.337 1.458 -0.121 1.10e-02 8.26e+03 1.21e+02 bond pdb=" C PRO R 219 " pdb=" O PRO R 219 " ideal model delta sigma weight residual 1.233 1.111 0.122 1.16e-02 7.43e+03 1.10e+02 bond pdb=" N PRO R 222 " pdb=" CA PRO R 222 " ideal model delta sigma weight residual 1.465 1.675 -0.210 2.03e-02 2.43e+03 1.07e+02 bond pdb=" C VAL A 771 " pdb=" O VAL A 771 " ideal model delta sigma weight residual 1.237 1.125 0.112 1.17e-02 7.31e+03 9.14e+01 ... (remaining 108888 not shown) Histogram of bond angle deviations from ideal: 87.00 - 98.17: 84 98.17 - 109.34: 17454 109.34 - 120.51: 90169 120.51 - 131.68: 42309 131.68 - 142.85: 303 Bond angle restraints: 150319 Sorted by residual: angle pdb=" PB ATP Q1501 " pdb=" O3B ATP Q1501 " pdb=" PG ATP Q1501 " ideal model delta sigma weight residual 139.87 114.07 25.80 1.00e+00 1.00e+00 6.66e+02 angle pdb=" C GLY R 221 " pdb=" N PRO R 222 " pdb=" CA PRO R 222 " ideal model delta sigma weight residual 120.38 139.32 -18.94 1.03e+00 9.43e-01 3.38e+02 angle pdb=" C ARG A 535 " pdb=" CA ARG A 535 " pdb=" CB ARG A 535 " ideal model delta sigma weight residual 109.56 139.35 -29.79 1.65e+00 3.67e-01 3.26e+02 angle pdb=" O2' G G 1 " pdb=" C2' G G 1 " pdb=" C1' G G 1 " ideal model delta sigma weight residual 111.80 87.00 24.80 1.50e+00 4.44e-01 2.73e+02 angle pdb=" CD ARG o 55 " pdb=" NE ARG o 55 " pdb=" CZ ARG o 55 " ideal model delta sigma weight residual 124.40 142.85 -18.45 1.40e+00 5.10e-01 1.74e+02 ... (remaining 150314 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 35.89: 64316 35.89 - 71.78: 1604 71.78 - 107.67: 170 107.67 - 143.55: 26 143.55 - 179.44: 17 Dihedral angle restraints: 66133 sinusoidal: 23547 harmonic: 42586 Sorted by residual: dihedral pdb=" C ARG A 535 " pdb=" N ARG A 535 " pdb=" CA ARG A 535 " pdb=" CB ARG A 535 " ideal model delta harmonic sigma weight residual -122.60 -165.85 43.25 0 2.50e+00 1.60e-01 2.99e+02 dihedral pdb=" CA PHE A 166 " pdb=" C PHE A 166 " pdb=" N PRO A 167 " pdb=" CA PRO A 167 " ideal model delta harmonic sigma weight residual 180.00 -95.04 -84.96 0 5.00e+00 4.00e-02 2.89e+02 dihedral pdb=" CA PHE T 400 " pdb=" C PHE T 400 " pdb=" N PRO T 401 " pdb=" CA PRO T 401 " ideal model delta harmonic sigma weight residual -180.00 -105.94 -74.06 0 5.00e+00 4.00e-02 2.19e+02 ... (remaining 66130 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 1.008: 18063 1.008 - 2.016: 2 2.016 - 3.024: 0 3.024 - 4.031: 0 4.031 - 5.039: 2 Chirality restraints: 18067 Sorted by residual: chirality pdb=" C2 IHP A3000 " pdb=" C1 IHP A3000 " pdb=" C3 IHP A3000 " pdb=" O12 IHP A3000 " both_signs ideal model delta sigma weight residual False -2.52 2.52 -5.04 2.00e-01 2.50e+01 6.35e+02 chirality pdb=" C3 IHP A3000 " pdb=" C2 IHP A3000 " pdb=" C4 IHP A3000 " pdb=" O13 IHP A3000 " both_signs ideal model delta sigma weight residual False -2.34 2.43 -4.77 2.00e-01 2.50e+01 5.69e+02 chirality pdb=" CA ARG A 535 " pdb=" N ARG A 535 " pdb=" C ARG A 535 " pdb=" CB ARG A 535 " both_signs ideal model delta sigma weight residual False 2.51 0.75 1.76 2.00e-01 2.50e+01 7.77e+01 ... (remaining 18064 not shown) Planarity restraints: 18483 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CA LYS I 310 " -0.067 2.00e-02 2.50e+03 1.25e-01 1.57e+02 pdb=" C LYS I 310 " 0.217 2.00e-02 2.50e+03 pdb=" O LYS I 310 " -0.080 2.00e-02 2.50e+03 pdb=" N MET I 311 " -0.069 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA LYS I 83 " 0.067 2.00e-02 2.50e+03 1.25e-01 1.56e+02 pdb=" C LYS I 83 " -0.216 2.00e-02 2.50e+03 pdb=" O LYS I 83 " 0.080 2.00e-02 2.50e+03 pdb=" N HIS I 84 " 0.069 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA MET I 311 " 0.067 2.00e-02 2.50e+03 1.25e-01 1.56e+02 pdb=" C MET I 311 " -0.216 2.00e-02 2.50e+03 pdb=" O MET I 311 " 0.080 2.00e-02 2.50e+03 pdb=" N GLU I 312 " 0.069 2.00e-02 2.50e+03 ... (remaining 18480 not shown) Histogram of nonbonded interaction distances: 1.35 - 2.06: 59 2.06 - 2.77: 20350 2.77 - 3.48: 144329 3.48 - 4.19: 245310 4.19 - 4.90: 407334 Nonbonded interactions: 817382 Sorted by model distance: nonbonded pdb=" O6 G B 20 " pdb=" OP1 G B 24 " model vdw 1.346 3.040 nonbonded pdb=" OP1 A F 53 " pdb="MG MG F 201 " model vdw 1.360 2.170 nonbonded pdb=" O2' G G 24 " pdb=" OP1 G G 25 " model vdw 1.440 2.440 nonbonded pdb=" O2' G G 120 " pdb=" O4' G G 121 " model vdw 1.536 2.440 nonbonded pdb=" P G G 1 " pdb=" O2' A G 144 " model vdw 1.548 3.400 ... (remaining 817377 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 'a' and (resid 3 through 46 or (resid 47 and (name N or name CA or name C \ or name O or name CB )) or resid 48 through 56 or (resid 57 and (name N or name \ CA or name C or name O )) or resid 58 through 79)) selection = (chain 'h' and resid 3 through 79) } ncs_group { reference = chain 'c' selection = chain 'j' } ncs_group { reference = (chain 'd' and (resid 20 through 76 or resid 89 through 116)) selection = chain 'k' } ncs_group { reference = chain 'e' selection = chain 'l' } ncs_group { reference = (chain 'f' and (resid 3 through 7 or (resid 8 and (name N or name CA or name C o \ r name O or name CB )) or resid 9 through 75)) selection = chain 'm' } ncs_group { reference = (chain 'g' and (resid 3 through 48 or (resid 54 and (name N or name CA or name C \ or name O or name CB )) or resid 55 through 76)) selection = chain 'n' } ncs_group { reference = (chain 'q' and resid 3 through 133) selection = chain 'r' selection = (chain 's' and resid 3 through 133) selection = chain 't' } 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=0.43 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 2.260 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.000 Construct map_model_manager: 0.060 Extract box with map and model: 16.380 Check model and map are aligned: 1.150 Set scattering table: 0.700 Process input model: 325.860 Find NCS groups from input model: 3.410 Set up NCS constraints: 0.600 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.010 Load rotamer database and sin/cos tables:2.830 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 353.260 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5734 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 : 0.012 0.211 108893 Z= 0.766 Angle : 1.561 29.793 150319 Z= 1.015 Chirality : 0.104 5.039 18067 Planarity : 0.009 0.163 18483 Dihedral : 16.061 179.442 38352 Min Nonbonded Distance : 1.346 Molprobity Statistics. All-atom Clashscore : 16.34 Ramachandran Plot: Outliers : 0.65 % Allowed : 5.84 % Favored : 93.50 % Rotamer: Outliers : 2.51 % Allowed : 5.18 % Favored : 92.31 % Cbeta Deviations : 0.43 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 1.61 % Twisted General : 0.29 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.06 (0.06), residues: 14376 helix: -2.32 (0.05), residues: 5970 sheet: -1.05 (0.11), residues: 1894 loop : -1.92 (0.07), residues: 6512 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.066 0.005 TRP J 336 HIS 0.022 0.003 HIS C 903 PHE 0.055 0.004 PHE A1502 TYR 0.099 0.004 TYR A1991 ARG 0.033 0.002 ARG L 158 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 28752 Ramachandran restraints generated. 14376 Oldfield, 0 Emsley, 14376 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 28752 Ramachandran restraints generated. 14376 Oldfield, 0 Emsley, 14376 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1882 residues out of total 13014 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 178 poor density : 1704 time to evaluate : 8.943 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash 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-dev-5265/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-dev-5265/modules/cctbx_project/iotbx/cli_parser.py", line 944, in run_program task.run() File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/phenix/phenix/programs/real_space_refine.py", line 189, in run log = self.logger) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/phenix/phenix/refinement/rsr/wrappers.py", line 58, in __init__ log = log) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 303, in __init__ self.caller(self.optimize_sidechains) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 321, in caller func() File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 609, in optimize_sidechains log = self.log) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/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-dev-5265/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 189, in run_one pdb_hierarchy = self.run_one_one(args=args) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/phenix/phenix/refinement/macro_cycle_real_space.py", line 133, in run_one_one log = log) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/mmtbx/refinement/real_space/fit_residues.py", line 108, in __init__ self.loop(function = self.one_residue_iteration) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/mmtbx/refinement/real_space/fit_residues.py", line 284, in loop function(residue = residue) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/cctbx_project/mmtbx/refinement/real_space/fit_residues.py", line 271, in one_residue_iteration log = self.log) File "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/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-dev-5265/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