Starting phenix.real_space_refine on Mon Mar 11 19:07:11 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/5gm6_9524/03_2024/5gm6_9524_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/5gm6_9524/03_2024/5gm6_9524.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.5 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/5gm6_9524/03_2024/5gm6_9524.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/5gm6_9524/03_2024/5gm6_9524.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/5gm6_9524/03_2024/5gm6_9524_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/5gm6_9524/03_2024/5gm6_9524_updated.pdb" } resolution = 3.5 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= -0.000 sd= 0.009 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 13 6.06 5 P 365 5.49 5 Mg 5 5.21 5 S 440 5.16 5 C 69859 2.51 5 N 19306 2.21 5 O 22076 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A ARG 313": "NH1" <-> "NH2" Residue "A PHE 352": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 488": "NH1" <-> "NH2" Residue "A TYR 556": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A ARG 610": "NH1" <-> "NH2" Residue "A ARG 668": "NH1" <-> "NH2" Residue "A ARG 678": "NH1" <-> "NH2" Residue "A ARG 749": "NH1" <-> "NH2" Residue "A ARG 780": "NH1" <-> "NH2" Residue "A ARG 791": "NH1" <-> "NH2" Residue "A ARG 814": "NH1" <-> "NH2" Residue "A ARG 833": "NH1" <-> "NH2" Residue "A ARG 854": "NH1" <-> "NH2" Residue "A GLU 1056": "OE1" <-> "OE2" Residue "A ARG 1071": "NH1" <-> "NH2" Residue "A GLU 1291": "OE1" <-> "OE2" Residue "A ARG 1490": "NH1" <-> "NH2" Residue "A ARG 1499": "NH1" <-> "NH2" Residue "A ARG 1509": "NH1" <-> "NH2" Residue "A ARG 1511": "NH1" <-> "NH2" Residue "A ARG 1605": "NH1" <-> "NH2" Residue "A ARG 1750": "NH1" <-> "NH2" Residue "A ARG 2013": "NH1" <-> "NH2" Residue "A ARG 2153": "NH1" <-> "NH2" Residue "A GLU 2403": "OE1" <-> "OE2" Residue "B ARG 576": "NH1" <-> "NH2" Residue "B ARG 713": "NH1" <-> "NH2" Residue "B ARG 1119": "NH1" <-> "NH2" Residue "B ARG 1126": "NH1" <-> "NH2" Residue "B ARG 1147": "NH1" <-> "NH2" Residue "B ARG 1213": "NH1" <-> "NH2" Residue "B PHE 1239": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ARG 1389": "NH1" <-> "NH2" Residue "B ARG 1912": "NH1" <-> "NH2" Residue "C ARG 120": "NH1" <-> "NH2" Residue "C ARG 176": "NH1" <-> "NH2" Residue "C ARG 187": "NH1" <-> "NH2" Residue "C PHE 320": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ARG 441": "NH1" <-> "NH2" Residue "C PHE 768": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ARG 170": "NH1" <-> "NH2" Residue "F ARG 181": "NH1" <-> "NH2" Residue "F ARG 185": "NH1" <-> "NH2" Residue "F ARG 186": "NH1" <-> "NH2" Residue "F ARG 200": "NH1" <-> "NH2" Residue "F ARG 223": "NH1" <-> "NH2" Residue "F ARG 232": "NH1" <-> "NH2" Residue "F ARG 400": "NH1" <-> "NH2" Residue "F ARG 608": "NH1" <-> "NH2" Residue "F ARG 617": "NH1" <-> "NH2" Residue "F ARG 631": "NH1" <-> "NH2" Residue "F ARG 732": "NH1" <-> "NH2" Residue "F TYR 750": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ARG 767": "NH1" <-> "NH2" Residue "F ARG 768": "NH1" <-> "NH2" Residue "F ARG 781": "NH1" <-> "NH2" Residue "F ARG 839": "NH1" <-> "NH2" Residue "F ARG 870": "NH1" <-> "NH2" Residue "F ARG 875": "NH1" <-> "NH2" Residue "F ARG 952": "NH1" <-> "NH2" Residue "F ARG 989": "NH1" <-> "NH2" Residue "F ARG 1002": "NH1" <-> "NH2" Residue "F PHE 1017": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ARG 1061": "NH1" <-> "NH2" Residue "F ARG 1084": "NH1" <-> "NH2" Residue "F ARG 1116": "NH1" <-> "NH2" Residue "F PHE 1123": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ARG 1134": "NH1" <-> "NH2" Residue "F TYR 1218": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ARG 1308": "NH1" <-> "NH2" Residue "F ARG 1315": "NH1" <-> "NH2" Residue "F ARG 1328": "NH1" <-> "NH2" Residue "F ARG 1357": "NH1" <-> "NH2" Residue "H ARG 155": "NH1" <-> "NH2" Residue "J TYR 36": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ARG 6": "NH1" <-> "NH2" Residue "K GLU 29": "OE1" <-> "OE2" Residue "K ARG 36": "NH1" <-> "NH2" Residue "O ARG 143": "NH1" <-> "NH2" Residue "O PHE 155": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 220": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ARG 244": "NH1" <-> "NH2" Residue "O ARG 254": "NH1" <-> "NH2" Residue "P ARG 47": "NH1" <-> "NH2" Residue "P ARG 69": "NH1" <-> "NH2" Residue "P ARG 125": "NH1" <-> "NH2" Residue "P GLU 243": "OE1" <-> "OE2" Residue "P ARG 306": "NH1" <-> "NH2" Residue "Q ARG 63": "NH1" <-> "NH2" Residue "Q ARG 252": "NH1" <-> "NH2" Residue "Q GLU 257": "OE1" <-> "OE2" Residue "Q ARG 261": "NH1" <-> "NH2" Residue "R GLU 15": "OE1" <-> "OE2" Residue "R GLU 17": "OE1" <-> "OE2" Residue "S GLU 10": "OE1" <-> "OE2" Residue "T ARG 151": "NH1" <-> "NH2" Residue "U GLU 41": "OE1" <-> "OE2" Residue "U GLU 46": "OE1" <-> "OE2" Residue "U ARG 176": "NH1" <-> "NH2" Residue "W ARG 155": "NH1" <-> "NH2" Residue "W ARG 212": "NH1" <-> "NH2" Residue "Y TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 795": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z GLU 9": "OE1" <-> "OE2" Residue "Z ARG 15": "NH1" <-> "NH2" Residue "Z ARG 22": "NH1" <-> "NH2" Residue "Z ARG 42": "NH1" <-> "NH2" Residue "Z ARG 53": "NH1" <-> "NH2" Residue "Z ARG 71": "NH1" <-> "NH2" Residue "Z GLU 92": "OE1" <-> "OE2" Residue "Z ARG 108": "NH1" <-> "NH2" Residue "Z GLU 144": "OE1" <-> "OE2" Residue "Z ARG 149": "NH1" <-> "NH2" Residue "Z GLU 175": "OE1" <-> "OE2" Residue "Z ARG 178": "NH1" <-> "NH2" Residue "Z ARG 191": "NH1" <-> "NH2" Residue "Z ARG 201": "NH1" <-> "NH2" Residue "Z GLU 246": "OE1" <-> "OE2" Residue "Z ARG 382": "NH1" <-> "NH2" Residue "Z ARG 439": "NH1" <-> "NH2" Residue "c ARG 85": "NH1" <-> "NH2" Residue "G ARG 186": "NH1" <-> "NH2" Residue "G ARG 476": "NH1" <-> "NH2" Residue "G ARG 556": "NH1" <-> "NH2" Residue "G ARG 593": "NH1" <-> "NH2" Residue "G TYR 655": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ARG 849": "NH1" <-> "NH2" Residue "G ARG 898": "NH1" <-> "NH2" Residue "G ARG 931": "NH1" <-> "NH2" Residue "G ARG 936": "NH1" <-> "NH2" Residue "v GLU 609": "OE1" <-> "OE2" Residue "e GLU 156": "OE1" <-> "OE2" Residue "o GLU 24": "OE1" <-> "OE2" Residue "o GLU 29": "OE1" <-> "OE2" Residue "o GLU 48": "OE1" <-> "OE2" Residue "o GLU 129": "OE1" <-> "OE2" Residue "o GLU 132": "OE1" <-> "OE2" Residue "p GLU 24": "OE1" <-> "OE2" Residue "p GLU 29": "OE1" <-> "OE2" Residue "p GLU 48": "OE1" <-> "OE2" Residue "p GLU 94": "OE1" <-> "OE2" Residue "p GLU 129": "OE1" <-> "OE2" Residue "p GLU 132": "OE1" <-> "OE2" Residue "q GLU 24": "OE1" <-> "OE2" Residue "q GLU 29": "OE1" <-> "OE2" Residue "q GLU 48": "OE1" <-> "OE2" Residue "r GLU 24": "OE1" <-> "OE2" Residue "r GLU 29": "OE1" <-> "OE2" Residue "r GLU 48": "OE1" <-> "OE2" Residue "r GLU 94": "OE1" <-> "OE2" Residue "r GLU 129": "OE1" <-> "OE2" Residue "n GLU 55": "OE1" <-> "OE2" Residue "n ARG 60": "NH1" <-> "NH2" Residue "n ARG 63": "NH1" <-> "NH2" Residue "k ARG 11": "NH1" <-> "NH2" Residue "k GLU 90": "OE1" <-> "OE2" Residue "h ARG 82": "NH1" <-> "NH2" Residue "j ARG 30": "NH1" <-> "NH2" Residue "m ARG 88": "NH1" <-> "NH2" Residue "g ARG 63": "NH1" <-> "NH2" Residue "g GLU 70": "OE1" <-> "OE2" Residue "g ARG 97": "NH1" <-> "NH2" Time to flip residues: 0.23s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib" Total number of atoms: 112064 Number of models: 1 Model: "" Number of chains: 55 Chain: "A" Number of atoms: 18101 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2200, 18101 Classifications: {'peptide': 2200} Link IDs: {'PCIS': 1, 'PTRANS': 110, 'TRANS': 2088} Chain breaks: 3 Chain: "B" Number of atoms: 14504 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1809, 14504 Classifications: {'peptide': 1809} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 76, 'TRANS': 1732} Chain breaks: 2 Chain: "C" Number of atoms: 7014 Number of conformers: 1 Conformer: "" Number of residues, atoms: 878, 7014 Classifications: {'peptide': 878} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 49, 'TRANS': 828} Chain breaks: 2 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 6 Unresolved non-hydrogen angles: 8 Unresolved non-hydrogen dihedrals: 5 Unresolved non-hydrogen chiralities: 1 Chain: "D" Number of atoms: 2465 Number of conformers: 1 Conformer: "" Number of residues, atoms: 117, 2465 Classifications: {'RNA': 117} Modifications used: {'rna2p_pur': 12, 'rna2p_pyr': 10, 'rna3p_pur': 39, 'rna3p_pyr': 56} Link IDs: {'rna2p': 22, 'rna3p': 94} Chain breaks: 2 Chain: "E" Number of atoms: 2192 Number of conformers: 1 Conformer: "" Number of residues, atoms: 103, 2192 Classifications: {'RNA': 103} Modifications used: {'rna2p_pur': 9, 'rna2p_pyr': 11, 'rna3p_pur': 46, 'rna3p_pyr': 37} Link IDs: {'rna2p': 20, 'rna3p': 82} Chain: "F" Number of atoms: 9380 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1180, 9380 Classifications: {'peptide': 1180} Link IDs: {'CIS': 3, 'PTRANS': 45, 'TRANS': 1131} Chain breaks: 7 Chain: "H" Number of atoms: 1248 Number of conformers: 1 Conformer: "" Number of residues, atoms: 151, 1248 Classifications: {'peptide': 151} Link IDs: {'PTRANS': 11, 'TRANS': 139} Chain breaks: 1 Chain: "I" Number of atoms: 800 Number of conformers: 1 Conformer: "" Number of residues, atoms: 102, 800 Classifications: {'peptide': 102} Link IDs: {'PTRANS': 2, 'TRANS': 99} Chain breaks: 1 Chain: "J" Number of atoms: 814 Number of conformers: 1 Conformer: "" Number of residues, atoms: 103, 814 Classifications: {'peptide': 103} Link IDs: {'PTRANS': 4, 'TRANS': 98} Chain: "K" Number of atoms: 693 Number of conformers: 1 Conformer: "" Number of residues, atoms: 84, 693 Classifications: {'peptide': 84} Link IDs: {'PTRANS': 1, 'TRANS': 82} Chain: "L" Number of atoms: 1388 Number of conformers: 1 Conformer: "" Number of residues, atoms: 66, 1388 Classifications: {'RNA': 66} Modifications used: {'rna2p_pur': 2, 'rna2p_pyr': 4, 'rna3p_pur': 26, 'rna3p_pyr': 34} Link IDs: {'rna2p': 6, 'rna3p': 59} Chain: "N" Number of atoms: 521 Number of conformers: 1 Conformer: "" Number of residues, atoms: 25, 521 Classifications: {'RNA': 25} Modifications used: {'rna2p_pur': 3, 'rna2p_pyr': 9, 'rna3p_pur': 6, 'rna3p_pyr': 7} Link IDs: {'rna2p': 12, 'rna3p': 12} Chain: "M" Number of atoms: 1057 Number of conformers: 1 Conformer: "" Number of residues, atoms: 50, 1057 Classifications: {'RNA': 50} Modifications used: {'5*END': 1, 'rna2p_pur': 14, 'rna2p_pyr': 6, 'rna3p_pur': 15, 'rna3p_pyr': 15} Link IDs: {'rna2p': 20, 'rna3p': 29} Chain breaks: 2 Chain: "O" Number of atoms: 2646 Number of conformers: 1 Conformer: "" Number of residues, atoms: 337, 2646 Classifications: {'peptide': 337} Link IDs: {'PTRANS': 12, 'TRANS': 324} Chain: "P" Number of atoms: 1978 Number of conformers: 1 Conformer: "" Number of residues, atoms: 246, 1978 Classifications: {'peptide': 246} Link IDs: {'PTRANS': 13, 'TRANS': 232} Chain breaks: 4 Chain: "Q" Number of atoms: 1472 Number of conformers: 1 Conformer: "" Number of residues, atoms: 185, 1472 Classifications: {'peptide': 185} Link IDs: {'PTRANS': 8, 'TRANS': 176} Chain breaks: 3 Chain: "R" Number of atoms: 2089 Number of conformers: 1 Conformer: "" Number of residues, atoms: 261, 2089 Classifications: {'peptide': 261} Link IDs: {'PTRANS': 10, 'TRANS': 250} Chain: "S" Number of atoms: 578 Number of conformers: 1 Conformer: "" Number of residues, atoms: 71, 578 Classifications: {'peptide': 71} Link IDs: {'PTRANS': 3, 'TRANS': 67} Chain breaks: 2 Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen chiralities: 2 Chain: "T" Number of atoms: 1291 Number of conformers: 1 Conformer: "" Number of residues, atoms: 157, 1291 Classifications: {'peptide': 157} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 5, 'TRANS': 151} Chain: "U" Number of atoms: 1401 Number of conformers: 1 Conformer: "" Number of residues, atoms: 176, 1401 Classifications: {'peptide': 176} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 7, 'TRANS': 168} Chain breaks: 1 Unresolved non-hydrogen bonds: 12 Unresolved non-hydrogen angles: 16 Unresolved non-hydrogen dihedrals: 12 Planarities with less than four sites: {'HIS:plan': 2} Unresolved non-hydrogen planarities: 10 Chain: "V" Number of atoms: 1051 Number of conformers: 1 Conformer: "" Number of residues, atoms: 128, 1051 Classifications: {'peptide': 128} Link IDs: {'PTRANS': 3, 'TRANS': 124} Chain: "W" Number of atoms: 842 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 842 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 4, 'TRANS': 99} Chain breaks: 2 Chain: "Y" Number of atoms: 4047 Number of conformers: 1 Conformer: "" Number of residues, atoms: 598, 4047 Classifications: {'peptide': 598} Incomplete info: {'backbone_only': 1, 'truncation_to_alanine': 35} Link IDs: {'PTRANS': 29, 'TRANS': 568} Chain breaks: 13 Unresolved chain link angles: 7 Unresolved non-hydrogen bonds: 767 Unresolved non-hydrogen angles: 1039 Unresolved non-hydrogen dihedrals: 578 Unresolved non-hydrogen chiralities: 110 Planarities with less than four sites: {'GLN:plan1': 22, 'HIS:plan': 5, 'TYR:plan': 7, 'ASN:plan1': 17, 'TRP:plan': 2, 'ASP:plan': 12, 'PHE:plan': 13, 'GLU:plan': 23, 'ARG:plan': 14} Unresolved non-hydrogen planarities: 412 Chain: "Z" Number of atoms: 3651 Number of conformers: 1 Conformer: "" Number of residues, atoms: 447, 3651 Classifications: {'peptide': 447} Link IDs: {'PTRANS': 7, 'TRANS': 439} Chain breaks: 1 Chain: "a" Number of atoms: 988 Number of conformers: 1 Conformer: "" Number of residues, atoms: 123, 988 Classifications: {'peptide': 123} Link IDs: {'PTRANS': 4, 'TRANS': 118} Chain breaks: 1 Chain: "b" Number of atoms: 1224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 150, 1224 Classifications: {'peptide': 150} Link IDs: {'PTRANS': 6, 'TRANS': 143} Chain breaks: 1 Chain: "c" Number of atoms: 2803 Number of conformers: 1 Conformer: "" Number of residues, atoms: 415, 2803 Classifications: {'peptide': 415} Incomplete info: {'truncation_to_alanine': 131} Link IDs: {'PTRANS': 10, 'TRANS': 404} Chain breaks: 8 Unresolved chain link angles: 4 Unresolved non-hydrogen bonds: 494 Unresolved non-hydrogen angles: 697 Unresolved non-hydrogen dihedrals: 318 Unresolved non-hydrogen chiralities: 24 Planarities with less than four sites: {'GLN:plan1': 12, 'ASN:plan1': 3, 'ASP:plan': 1, 'TYR:plan': 5, 'UNK:plan-1': 118, 'HIS:plan': 3, 'PHE:plan': 1, 'GLU:plan': 9, 'ARG:plan': 9} Unresolved non-hydrogen planarities: 288 Chain: "G" Number of atoms: 6970 Number of conformers: 1 Conformer: "" Number of residues, atoms: 875, 6970 Classifications: {'peptide': 875} Link IDs: {'PTRANS': 43, 'TRANS': 831} Chain breaks: 1 Chain: "d" Number of atoms: 3558 Number of conformers: 1 Conformer: "" Number of residues, atoms: 545, 3558 Classifications: {'peptide': 545} Incomplete info: {'backbone_only': 10, 'truncation_to_alanine': 299} Link IDs: {'PTRANS': 5, 'TRANS': 539} Chain breaks: 21 Unresolved non-hydrogen bonds: 628 Unresolved non-hydrogen angles: 947 Unresolved non-hydrogen dihedrals: 309 Unresolved non-hydrogen chiralities: 10 Planarities with less than four sites: {'UNK:plan-1': 309} Unresolved non-hydrogen planarities: 309 Chain: "X" Number of atoms: 190 Number of conformers: 1 Conformer: "" Number of residues, atoms: 27, 190 Classifications: {'peptide': 27} Link IDs: {'TRANS': 26} Chain: "v" Number of atoms: 3047 Number of conformers: 1 Conformer: "" Number of residues, atoms: 566, 3047 Classifications: {'peptide': 566} Incomplete info: {'backbone_only': 16, 'truncation_to_alanine': 432} Link IDs: {'PTRANS': 6, 'TRANS': 559} Chain breaks: 31 Unresolved chain link angles: 5 Unresolved non-hydrogen bonds: 1112 Unresolved non-hydrogen angles: 1640 Unresolved non-hydrogen dihedrals: 617 Unresolved non-hydrogen chiralities: 40 Planarities with less than four sites: {'GLN:plan1': 7, 'ASN:plan1': 2, 'TYR:plan': 2, 'UNK:plan-1': 434, 'TRP:plan': 1, 'ASP:plan': 1, 'ARG:plan': 4, 'PHE:plan': 4, 'GLU:plan': 10, 'HIS:plan': 3} Unresolved non-hydrogen planarities: 569 Chain: "e" Number of atoms: 947 Number of conformers: 1 Conformer: "" Number of residues, atoms: 149, 947 Classifications: {'peptide': 149} Incomplete info: {'truncation_to_alanine': 24} Link IDs: {'PTRANS': 4, 'TRANS': 144} Chain breaks: 3 Unresolved chain link angles: 2 Unresolved non-hydrogen bonds: 288 Unresolved non-hydrogen angles: 385 Unresolved non-hydrogen dihedrals: 225 Unresolved non-hydrogen chiralities: 31 Planarities with less than four sites: {'GLN:plan1': 9, 'TYR:plan': 8, 'ASN:plan1': 10, 'ASP:plan': 6, 'PHE:plan': 3, 'GLU:plan': 4, 'ARG:plan': 5} Unresolved non-hydrogen planarities: 170 Chain: "f" Number of atoms: 822 Number of conformers: 1 Conformer: "" Number of residues, atoms: 102, 822 Classifications: {'peptide': 102} Link IDs: {'TRANS': 101} Chain breaks: 1 Chain: "o" Number of atoms: 819 Number of conformers: 1 Conformer: "" Number of residues, atoms: 124, 819 Classifications: {'peptide': 124} Incomplete info: {'truncation_to_alanine': 8} Link IDs: {'PTRANS': 7, 'TRANS': 116} Chain breaks: 2 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 159 Unresolved non-hydrogen angles: 211 Unresolved non-hydrogen dihedrals: 115 Unresolved non-hydrogen chiralities: 23 Planarities with less than four sites: {'GLN:plan1': 3, 'TYR:plan': 1, 'ASN:plan1': 6, 'ASP:plan': 4, 'PHE:plan': 1, 'GLU:plan': 4, 'ARG:plan': 4} Unresolved non-hydrogen planarities: 75 Chain: "p" Number of atoms: 843 Number of conformers: 1 Conformer: "" Number of residues, atoms: 128, 843 Classifications: {'peptide': 128} Incomplete info: {'truncation_to_alanine': 8} Link IDs: {'PTRANS': 7, 'TRANS': 120} Chain breaks: 2 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 167 Unresolved non-hydrogen angles: 222 Unresolved non-hydrogen dihedrals: 120 Unresolved non-hydrogen chiralities: 24 Planarities with less than four sites: {'GLN:plan1': 4, 'TYR:plan': 1, 'ASN:plan1': 6, 'ASP:plan': 4, 'PHE:plan': 1, 'GLU:plan': 5, 'ARG:plan': 4} Unresolved non-hydrogen planarities: 81 Chain: "q" Number of atoms: 2315 Number of conformers: 1 Conformer: "" Number of residues, atoms: 381, 2315 Classifications: {'peptide': 381} Incomplete info: {'truncation_to_alanine': 65} Link IDs: {'PTRANS': 19, 'TRANS': 361} Chain breaks: 14 Unresolved chain link angles: 15 Unresolved non-hydrogen bonds: 758 Unresolved non-hydrogen angles: 1027 Unresolved non-hydrogen dihedrals: 607 Unresolved non-hydrogen chiralities: 90 Planarities with less than four sites: {'GLN:plan1': 9, 'HIS:plan': 4, 'TYR:plan': 12, 'ASN:plan1': 17, 'TRP:plan': 5, 'ASP:plan': 22, 'PHE:plan': 9, 'GLU:plan': 18, 'ARG:plan': 11} Unresolved non-hydrogen planarities: 412 Chain: "r" Number of atoms: 823 Number of conformers: 1 Conformer: "" Number of residues, atoms: 125, 823 Classifications: {'peptide': 125} Incomplete info: {'truncation_to_alanine': 10} Link IDs: {'PTRANS': 7, 'TRANS': 117} Chain breaks: 2 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 166 Unresolved non-hydrogen angles: 220 Unresolved non-hydrogen dihedrals: 121 Unresolved non-hydrogen chiralities: 24 Planarities with less than four sites: {'GLN:plan1': 3, 'TYR:plan': 1, 'ASN:plan1': 6, 'ASP:plan': 4, 'PHE:plan': 1, 'GLU:plan': 5, 'ARG:plan': 4} Unresolved non-hydrogen planarities: 80 Chain: "t" Number of atoms: 921 Number of conformers: 1 Conformer: "" Number of residues, atoms: 155, 921 Classifications: {'peptide': 155} Incomplete info: {'truncation_to_alanine': 39} Link IDs: {'PTRANS': 5, 'TRANS': 149} Chain breaks: 2 Unresolved chain link angles: 5 Unresolved non-hydrogen bonds: 399 Unresolved non-hydrogen angles: 534 Unresolved non-hydrogen dihedrals: 311 Unresolved non-hydrogen chiralities: 37 Planarities with less than four sites: {'GLN:plan1': 7, 'HIS:plan': 1, 'TYR:plan': 8, 'ASN:plan1': 12, 'TRP:plan': 1, 'ASP:plan': 14, 'PHE:plan': 4, 'GLU:plan': 9, 'ARG:plan': 12} Unresolved non-hydrogen planarities: 258 Chain: "n" Number of atoms: 195 Number of conformers: 1 Conformer: "" Number of residues, atoms: 23, 195 Classifications: {'peptide': 23} Link IDs: {'PTRANS': 1, 'TRANS': 21} Chain: "k" Number of atoms: 631 Number of conformers: 1 Conformer: "" Number of residues, atoms: 80, 631 Classifications: {'peptide': 80} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 2, 'TRANS': 77} Chain breaks: 1 Unresolved non-hydrogen bonds: 11 Unresolved non-hydrogen angles: 13 Unresolved non-hydrogen dihedrals: 9 Planarities with less than four sites: {'GLU:plan': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "i" Number of atoms: 575 Number of conformers: 1 Conformer: "" Number of residues, atoms: 75, 575 Classifications: {'peptide': 75} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 5, 'TRANS': 69} Chain breaks: 1 Unresolved non-hydrogen bonds: 12 Unresolved non-hydrogen angles: 14 Unresolved non-hydrogen dihedrals: 10 Planarities with less than four sites: {'GLU:plan': 2} Unresolved non-hydrogen planarities: 8 Chain: "h" Number of atoms: 554 Number of conformers: 1 Conformer: "" Number of residues, atoms: 70, 554 Classifications: {'peptide': 70} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 2, 'TRANS': 67} Chain breaks: 1 Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 5 Unresolved non-hydrogen dihedrals: 3 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "j" Number of atoms: 529 Number of conformers: 1 Conformer: "" Number of residues, atoms: 69, 529 Classifications: {'peptide': 69} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 1, 'TRANS': 67} Chain breaks: 1 Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 5 Planarities with less than four sites: {'GLU:plan': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "l" Number of atoms: 625 Number of conformers: 1 Conformer: "" Number of residues, atoms: 82, 625 Classifications: {'peptide': 82} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 4, 'TRANS': 77} Unresolved non-hydrogen bonds: 7 Unresolved non-hydrogen angles: 9 Unresolved non-hydrogen dihedrals: 5 Planarities with less than four sites: {'GLU:plan': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "m" Number of atoms: 644 Number of conformers: 1 Conformer: "" Number of residues, atoms: 82, 644 Classifications: {'peptide': 82} Link IDs: {'PTRANS': 3, 'TRANS': 78} Chain breaks: 1 Chain: "g" Number of atoms: 741 Number of conformers: 1 Conformer: "" Number of residues, atoms: 94, 741 Classifications: {'peptide': 94} Incomplete info: {'truncation_to_alanine': 8} Link IDs: {'PTRANS': 3, 'TRANS': 90} Unresolved non-hydrogen bonds: 31 Unresolved non-hydrogen angles: 39 Unresolved non-hydrogen dihedrals: 23 Planarities with less than four sites: {'GLU:plan': 7, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 31 Chain: "C" Number of atoms: 32 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 32 Unusual residues: {'GTP': 1} Classifications: {'undetermined': 1} Chain: "E" Number of atoms: 4 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 4 Unusual residues: {' MG': 4} Classifications: {'undetermined': 4} Link IDs: {None: 3} Chain: "I" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' ZN': 1} Classifications: {'undetermined': 1} Chain: "J" 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: 2 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 2 Unusual residues: {' ZN': 2} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "R" Number of atoms: 1 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 1 Unusual residues: {' ZN': 1} Classifications: {'undetermined': 1} Chain: "T" 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: "Y" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 28 Unusual residues: {' MG': 1, 'ADP': 1} Classifications: {'undetermined': 2} Link IDs: {None: 1} Chain: "a" 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} List of CYS excluded from plausible disulfide bonds: (reason: may participate in coordination) ATOM 55414 SG CYS I 68 169.879 117.834 197.629 1.00 46.40 S ATOM 55437 SG CYS I 71 172.908 116.392 199.609 1.00 60.99 S ATOM 55789 SG CYS J 11 166.272 154.572 238.759 1.00 43.03 S ATOM 56058 SG CYS J 46 164.371 156.968 240.917 1.00 39.87 S ATOM 56081 SG CYS J 49 165.832 158.073 237.770 1.00100.66 S ATOM 56364 SG CYS J 86 162.783 155.903 237.774 1.00 34.30 S ATOM 55875 SG CYS J 23 160.697 162.879 223.352 1.00 44.62 S ATOM 55899 SG CYS J 26 160.945 159.289 222.797 1.00 68.91 S ATOM 56148 SG CYS J 58 160.789 160.571 226.307 1.00 71.79 S ATOM 56170 SG CYS J 61 163.843 161.136 224.292 1.00 50.25 S ATOM 55926 SG CYS J 30 154.160 150.436 228.541 1.00 39.66 S ATOM 55947 SG CYS J 33 154.245 147.958 225.737 1.00 38.94 S ATOM 56262 SG CYS J 73 151.234 148.072 227.650 1.00 29.65 S ATOM 56291 SG CYS J 76 154.187 146.750 229.278 1.00 45.70 S ATOM 64886 SG CYS Q 13 107.295 136.907 131.246 1.00162.58 S ATOM 65344 SG CYS Q 71 110.457 136.484 133.235 1.00122.06 S ATOM 65359 SG CYS Q 73 108.816 139.614 133.685 1.00134.07 S ATOM 65365 SG CYS Q 74 106.891 136.614 134.774 1.00108.16 S ATOM 65044 SG CYS Q 34 120.486 140.583 140.771 1.00 73.46 S ATOM 65067 SG CYS Q 37 123.899 140.383 142.240 1.00 68.06 S ATOM 65266 SG CYS Q 61 123.003 140.882 138.555 1.00104.25 S ATOM 65290 SG CYS Q 64 122.619 137.456 140.503 1.00 89.66 S ATOM 66855 SG CYS R 73 94.502 153.418 150.087 1.00 56.47 S ATOM 66917 SG CYS R 81 92.866 156.602 150.807 1.00 62.33 S ATOM 66957 SG CYS R 87 93.667 155.504 147.157 1.00 60.61 S ATOM 69828 SG CYS T 104 96.415 172.433 130.047 1.00 90.78 S ATOM 69834 SG CYS T 105 99.527 174.670 130.759 1.00 70.77 S ATOM 69859 SG CYS T 108 99.872 171.237 128.936 1.00 65.09 S ATOM 70173 SG CYS T 148 99.314 171.620 132.192 1.00 64.35 S ATOM 69828 SG CYS T 104 96.415 172.433 130.047 1.00 90.78 S ATOM 69962 SG CYS T 122 96.963 169.069 128.302 1.00 56.65 S ATOM 70183 SG CYS T 150 93.638 170.131 129.457 1.00 88.45 S ATOM 70204 SG CYS T 153 95.363 172.042 126.783 1.00 57.32 S ATOM 69859 SG CYS T 108 99.872 171.237 128.936 1.00 65.09 S ATOM 69948 SG CYS T 120 100.735 167.744 128.169 1.00 79.87 S ATOM 69962 SG CYS T 122 96.963 169.069 128.302 1.00 56.65 S ATOM 70150 SG CYS T 145 99.234 168.251 131.229 1.00 46.66 S ATOM 81374 SG CYS a 144 145.639 166.776 181.729 1.00 16.97 S ATOM 81450 SG CYS a 153 148.936 165.740 182.124 1.00 24.24 S ATOM 81490 SG CYS a 159 148.394 168.533 179.836 1.00 42.72 S ATOM 81746 SG CYS a 199 91.433 146.717 213.748 1.00214.83 S ATOM 81767 SG CYS a 202 88.856 143.963 214.593 1.00200.21 S ATOM 81905 SG CYS a 219 89.278 147.103 216.714 1.00196.53 S ATOM 81921 SG CYS a 222 91.793 144.291 216.638 1.00219.34 S ATOM 81862 SG CYS a 214 106.212 148.154 219.758 1.00147.80 S ATOM 82006 SG CYS a 233 105.560 144.671 219.013 1.00213.82 S ATOM 82031 SG CYS a 236 107.878 146.897 216.621 1.00166.90 S Time building chain proxies: 42.50, per 1000 atoms: 0.38 Number of scatterers: 112064 At special positions: 0 Unit cell: (279.484, 300.38, 335.642, 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 13 29.99 S 440 16.00 P 365 15.00 Mg 5 11.99 O 22076 8.00 N 19306 7.00 C 69859 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=2, symmetry=0 Simple disulfide: pdb=" SG CYS G 321 " - pdb=" SG CYS G 358 " distance=2.05 Simple disulfide: pdb=" SG CYS G 321 " - pdb=" SG CYS G 362 " distance=2.09 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 33.43 Conformation dependent library (CDL) restraints added in 13.9 seconds Dynamic metal coordination Zn2+ tetrahedral coordination pdb=" ZN I 600 " pdb="ZN ZN I 600 " - pdb=" NE2 HIS I 84 " pdb="ZN ZN I 600 " - pdb=" SG CYS I 68 " pdb="ZN ZN I 600 " - pdb=" SG CYS I 71 " pdb="ZN ZN I 600 " - pdb=" ND1 HIS I 90 " pdb=" ZN J 201 " pdb="ZN ZN J 201 " - pdb=" SG CYS J 11 " pdb="ZN ZN J 201 " - pdb=" SG CYS J 49 " pdb="ZN ZN J 201 " - pdb=" SG CYS J 46 " pdb="ZN ZN J 201 " - pdb=" SG CYS J 86 " pdb=" ZN J 202 " pdb="ZN ZN J 202 " - pdb=" SG CYS J 26 " pdb="ZN ZN J 202 " - pdb=" SG CYS J 61 " pdb="ZN ZN J 202 " - pdb=" SG CYS J 23 " pdb="ZN ZN J 202 " - pdb=" SG CYS J 58 " pdb=" ZN J 203 " pdb="ZN ZN J 203 " - pdb=" SG CYS J 33 " pdb="ZN ZN J 203 " - pdb=" SG CYS J 76 " pdb="ZN ZN J 203 " - pdb=" SG CYS J 73 " pdb="ZN ZN J 203 " - pdb=" SG CYS J 30 " pdb=" ZN Q 400 " pdb="ZN ZN Q 400 " - pdb=" SG CYS Q 74 " pdb="ZN ZN Q 400 " - pdb=" SG CYS Q 71 " pdb="ZN ZN Q 400 " - pdb=" SG CYS Q 73 " pdb="ZN ZN Q 400 " - pdb=" SG CYS Q 13 " pdb=" ZN Q 401 " pdb="ZN ZN Q 401 " - pdb=" SG CYS Q 64 " pdb="ZN ZN Q 401 " - pdb=" SG CYS Q 34 " pdb="ZN ZN Q 401 " - pdb=" SG CYS Q 61 " pdb="ZN ZN Q 401 " - pdb=" SG CYS Q 37 " pdb=" ZN R 400 " pdb="ZN ZN R 400 " - pdb=" SG CYS R 73 " pdb="ZN ZN R 400 " - pdb=" SG CYS R 87 " pdb="ZN ZN R 400 " - pdb=" NE2 HIS R 91 " pdb="ZN ZN R 400 " - pdb=" SG CYS R 81 " pdb=" ZN T1000 " pdb="ZN ZN T1000 " - pdb=" SG CYS T 148 " pdb="ZN ZN T1000 " - pdb=" SG CYS T 108 " pdb="ZN ZN T1000 " - pdb=" SG CYS T 104 " pdb="ZN ZN T1000 " - pdb=" SG CYS T 105 " pdb=" ZN T1001 " pdb="ZN ZN T1001 " - pdb=" SG CYS T 153 " pdb="ZN ZN T1001 " - pdb=" SG CYS T 122 " pdb="ZN ZN T1001 " - pdb=" SG CYS T 104 " pdb="ZN ZN T1001 " - pdb=" SG CYS T 150 " pdb=" ZN T1002 " pdb="ZN ZN T1002 " - pdb=" SG CYS T 145 " pdb="ZN ZN T1002 " - pdb=" SG CYS T 120 " pdb="ZN ZN T1002 " - pdb=" SG CYS T 122 " pdb="ZN ZN T1002 " - pdb=" SG CYS T 108 " pdb=" ZN a 500 " pdb="ZN ZN a 500 " - pdb=" SG CYS a 159 " pdb="ZN ZN a 500 " - pdb=" SG CYS a 153 " pdb="ZN ZN a 500 " - pdb=" NE2 HIS a 163 " pdb="ZN ZN a 500 " - pdb=" SG CYS a 144 " pdb=" ZN a 501 " pdb="ZN ZN a 501 " - pdb=" SG CYS a 219 " pdb="ZN ZN a 501 " - pdb=" SG CYS a 199 " pdb="ZN ZN a 501 " - pdb=" SG CYS a 202 " pdb="ZN ZN a 501 " - pdb=" SG CYS a 222 " pdb=" ZN a 502 " pdb="ZN ZN a 502 " - pdb=" NE2 HIS a 216 " pdb="ZN ZN a 502 " - pdb=" SG CYS a 236 " pdb="ZN ZN a 502 " - pdb=" SG CYS a 233 " pdb="ZN ZN a 502 " - pdb=" SG CYS a 214 " Number of angles added : 64 25092 Ramachandran restraints generated. 12546 Oldfield, 0 Emsley, 12546 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 26098 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: 454 helices and 119 sheets defined 49.4% alpha, 14.8% beta 93 base pairs and 172 stacking pairs defined. Time for finding SS restraints: 77.71 Creating SS restraints... Processing helix chain 'A' and resid 135 through 149 removed outlier: 3.925A pdb=" N LEU A 139 " --> pdb=" O PRO A 135 " (cutoff:3.500A) removed outlier: 4.912A pdb=" N ASP A 148 " --> pdb=" O ASN A 144 " (cutoff:3.500A) removed outlier: 4.856A pdb=" N MET A 149 " --> pdb=" O THR A 145 " (cutoff:3.500A) Processing helix chain 'A' and resid 154 through 168 removed outlier: 3.747A pdb=" N LYS A 159 " --> pdb=" O ASN A 155 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N ALA A 160 " --> pdb=" O THR A 156 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N PHE A 161 " --> pdb=" O ASP A 157 " (cutoff:3.500A) removed outlier: 4.163A pdb=" N LYS A 166 " --> pdb=" O LEU A 162 " (cutoff:3.500A) removed outlier: 4.853A pdb=" N TYR A 167 " --> pdb=" O GLY A 163 " (cutoff:3.500A) Processing helix chain 'A' and resid 169 through 179 removed outlier: 3.540A pdb=" N LEU A 173 " --> pdb=" O PRO A 169 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N ASN A 178 " --> pdb=" O LYS A 174 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N MET A 179 " --> pdb=" O LEU A 175 " (cutoff:3.500A) Processing helix chain 'A' and resid 209 through 232 removed outlier: 3.606A pdb=" N ARG A 231 " --> pdb=" O GLU A 227 " (cutoff:3.500A) removed outlier: 5.761A pdb=" N THR A 232 " --> pdb=" O LYS A 228 " (cutoff:3.500A) Processing helix chain 'A' and resid 253 through 258 removed outlier: 4.409A pdb=" N ASN A 257 " --> pdb=" O GLN A 253 " (cutoff:3.500A) removed outlier: 4.451A pdb=" N ILE A 258 " --> pdb=" O HIS A 254 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 253 through 258' Processing helix chain 'A' and resid 304 through 316 removed outlier: 3.599A pdb=" N MET A 308 " --> pdb=" O ASP A 304 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N THR A 316 " --> pdb=" O TYR A 312 " (cutoff:3.500A) Processing helix chain 'A' and resid 324 through 329 removed outlier: 4.139A pdb=" N TYR A 328 " --> pdb=" O ASP A 324 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N TYR A 329 " --> pdb=" O LYS A 325 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 324 through 329' Processing helix chain 'A' and resid 332 through 343 removed outlier: 3.513A pdb=" N PHE A 336 " --> pdb=" O ASP A 332 " (cutoff:3.500A) Processing helix chain 'A' and resid 369 through 374 removed outlier: 5.831A pdb=" N ILE A 374 " --> pdb=" O ILE A 370 " (cutoff:3.500A) Processing helix chain 'A' and resid 380 through 388 removed outlier: 3.923A pdb=" N LYS A 384 " --> pdb=" O ARG A 380 " (cutoff:3.500A) Proline residue: A 388 - end of helix Processing helix chain 'A' and resid 472 through 483 removed outlier: 4.011A pdb=" N HIS A 481 " --> pdb=" O MET A 477 " (cutoff:3.500A) removed outlier: 4.314A pdb=" N SER A 482 " --> pdb=" O SER A 478 " (cutoff:3.500A) Proline residue: A 483 - end of helix Processing helix chain 'A' and resid 502 through 509 removed outlier: 4.126A pdb=" N PHE A 506 " --> pdb=" O ALA A 502 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LEU A 507 " --> pdb=" O LYS A 503 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N GLN A 508 " --> pdb=" O LYS A 504 " (cutoff:3.500A) removed outlier: 5.076A pdb=" N HIS A 509 " --> pdb=" O TRP A 505 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 502 through 509' Processing helix chain 'A' and resid 515 through 536 removed outlier: 3.517A pdb=" N LYS A 519 " --> pdb=" O PRO A 515 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N SER A 521 " --> pdb=" O LYS A 517 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N HIS A 535 " --> pdb=" O LEU A 531 " (cutoff:3.500A) Proline residue: A 536 - end of helix Processing helix chain 'A' and resid 546 through 554 removed outlier: 4.200A pdb=" N ASN A 553 " --> pdb=" O LYS A 549 " (cutoff:3.500A) removed outlier: 4.654A pdb=" N THR A 554 " --> pdb=" O SER A 550 " (cutoff:3.500A) Processing helix chain 'A' and resid 563 through 587 Processing helix chain 'A' and resid 606 through 614 Processing helix chain 'A' and resid 616 through 642 removed outlier: 3.590A pdb=" N GLY A 642 " --> pdb=" O GLN A 638 " (cutoff:3.500A) Processing helix chain 'A' and resid 645 through 660 Processing helix chain 'A' and resid 665 through 671 removed outlier: 4.551A pdb=" N TYR A 669 " --> pdb=" O GLY A 665 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N TYR A 671 " --> pdb=" O TYR A 667 " (cutoff:3.500A) Processing helix chain 'A' and resid 672 through 692 removed outlier: 4.748A pdb=" N GLN A 676 " --> pdb=" O LYS A 672 " (cutoff:3.500A) Processing helix chain 'A' and resid 704 through 735 removed outlier: 3.538A pdb=" N GLY A 717 " --> pdb=" O ASN A 713 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N ILE A 719 " --> pdb=" O LEU A 715 " (cutoff:3.500A) Proline residue: A 720 - end of helix Processing helix chain 'A' and resid 749 through 771 removed outlier: 3.502A pdb=" N TYR A 753 " --> pdb=" O ARG A 749 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N ASP A 765 " --> pdb=" O SER A 761 " (cutoff:3.500A) Proline residue: A 771 - end of helix Processing helix chain 'A' and resid 776 through 796 removed outlier: 3.732A pdb=" N LEU A 783 " --> pdb=" O ALA A 779 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N GLN A 784 " --> pdb=" O ARG A 780 " (cutoff:3.500A) Processing helix chain 'A' and resid 805 through 837 removed outlier: 3.774A pdb=" N GLY A 837 " --> pdb=" O ARG A 833 " (cutoff:3.500A) Processing helix chain 'A' and resid 841 through 871 removed outlier: 5.186A pdb=" N VAL A 845 " --> pdb=" O GLU A 841 " (cutoff:3.500A) removed outlier: 3.799A pdb=" N GLY A 850 " --> pdb=" O LYS A 846 " (cutoff:3.500A) Processing helix chain 'A' and resid 875 through 894 Processing helix chain 'A' and resid 907 through 924 removed outlier: 4.433A pdb=" N VAL A 922 " --> pdb=" O ASP A 918 " (cutoff:3.500A) removed outlier: 4.464A pdb=" N TYR A 923 " --> pdb=" O LEU A 919 " (cutoff:3.500A) Processing helix chain 'A' and resid 930 through 947 removed outlier: 3.541A pdb=" N ARG A 934 " --> pdb=" O ASN A 930 " (cutoff:3.500A) Proline residue: A 947 - end of helix Processing helix chain 'A' and resid 948 through 960 Processing helix chain 'A' and resid 986 through 1007 removed outlier: 3.853A pdb=" N THR A 991 " --> pdb=" O LEU A 987 " (cutoff:3.500A) Processing helix chain 'A' and resid 1020 through 1035 Processing helix chain 'A' and resid 1056 through 1061 removed outlier: 3.991A pdb=" N ILE A1061 " --> pdb=" O MET A1057 " (cutoff:3.500A) Processing helix chain 'A' and resid 1062 through 1074 removed outlier: 3.807A pdb=" N ARG A1068 " --> pdb=" O THR A1064 " (cutoff:3.500A) removed outlier: 3.935A pdb=" N ILE A1073 " --> pdb=" O LEU A1069 " (cutoff:3.500A) Processing helix chain 'A' and resid 1075 through 1088 removed outlier: 3.505A pdb=" N ASN A1086 " --> pdb=" O ILE A1082 " (cutoff:3.500A) removed outlier: 4.299A pdb=" N ASN A1087 " --> pdb=" O THR A1083 " (cutoff:3.500A) removed outlier: 5.452A pdb=" N VAL A1088 " --> pdb=" O ALA A1084 " (cutoff:3.500A) Processing helix chain 'A' and resid 1109 through 1127 removed outlier: 3.637A pdb=" N LEU A1124 " --> pdb=" O VAL A1120 " (cutoff:3.500A) Processing helix chain 'A' and resid 1128 through 1136 Processing helix chain 'A' and resid 1149 through 1157 removed outlier: 3.619A pdb=" N GLU A1153 " --> pdb=" O SER A1149 " (cutoff:3.500A) removed outlier: 4.693A pdb=" N HIS A1156 " --> pdb=" O VAL A1152 " (cutoff:3.500A) Proline residue: A1157 - end of helix Processing helix chain 'A' and resid 1175 through 1191 Proline residue: A1191 - end of helix Processing helix chain 'A' and resid 1196 through 1202 removed outlier: 4.525A pdb=" N GLY A1200 " --> pdb=" O GLU A1196 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N TYR A1201 " --> pdb=" O ASN A1197 " (cutoff:3.500A) removed outlier: 6.229A pdb=" N ASN A1202 " --> pdb=" O SER A1198 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1196 through 1202' Processing helix chain 'A' and resid 1216 through 1235 removed outlier: 3.601A pdb=" N VAL A1234 " --> pdb=" O ILE A1230 " (cutoff:3.500A) Proline residue: A1235 - end of helix Processing helix chain 'A' and resid 1242 through 1247 removed outlier: 3.639A pdb=" N ALA A1246 " --> pdb=" O LYS A1242 " (cutoff:3.500A) removed outlier: 5.389A pdb=" N PHE A1247 " --> pdb=" O TRP A1243 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1242 through 1247' Processing helix chain 'A' and resid 1271 through 1276 removed outlier: 3.824A pdb=" N MET A1275 " --> pdb=" O PRO A1271 " (cutoff:3.500A) removed outlier: 4.982A pdb=" N GLU A1276 " --> pdb=" O ARG A1272 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1271 through 1276' Processing helix chain 'A' and resid 1305 through 1322 removed outlier: 3.819A pdb=" N PHE A1312 " --> pdb=" O GLU A1308 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N MET A1321 " --> pdb=" O ARG A1317 " (cutoff:3.500A) Processing helix chain 'A' and resid 1327 through 1347 removed outlier: 3.714A pdb=" N ARG A1347 " --> pdb=" O PHE A1343 " (cutoff:3.500A) Processing helix chain 'A' and resid 1348 through 1354 removed outlier: 4.689A pdb=" N ALA A1352 " --> pdb=" O GLU A1348 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N THR A1353 " --> pdb=" O ALA A1349 " (cutoff:3.500A) removed outlier: 5.812A pdb=" N GLU A1354 " --> pdb=" O ILE A1350 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1348 through 1354' Processing helix chain 'A' and resid 1355 through 1376 removed outlier: 3.548A pdb=" N THR A1365 " --> pdb=" O VAL A1361 " (cutoff:3.500A) Processing helix chain 'A' and resid 1379 through 1384 removed outlier: 3.913A pdb=" N PHE A1383 " --> pdb=" O MET A1379 " (cutoff:3.500A) Proline residue: A1384 - end of helix No H-bonds generated for 'chain 'A' and resid 1379 through 1384' Processing helix chain 'A' and resid 1385 through 1390 Processing helix chain 'A' and resid 1411 through 1418 removed outlier: 4.197A pdb=" N LYS A1416 " --> pdb=" O LEU A1412 " (cutoff:3.500A) removed outlier: 5.003A pdb=" N GLN A1417 " --> pdb=" O SER A1413 " (cutoff:3.500A) Processing helix chain 'A' and resid 1439 through 1472 removed outlier: 4.348A pdb=" N TYR A1443 " --> pdb=" O THR A1439 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N ILE A1444 " --> pdb=" O ILE A1440 " (cutoff:3.500A) removed outlier: 5.885A pdb=" N THR A1445 " --> pdb=" O PHE A1441 " (cutoff:3.500A) removed outlier: 7.481A pdb=" N THR A1446 " --> pdb=" O ARG A1442 " (cutoff:3.500A) removed outlier: 10.589A pdb=" N TRP A1447 " --> pdb=" O TYR A1443 " (cutoff:3.500A) removed outlier: 8.924A pdb=" N GLU A1448 " --> pdb=" O ILE A1444 " (cutoff:3.500A) removed outlier: 6.292A pdb=" N ASN A1449 " --> pdb=" O THR A1445 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N ARG A1456 " --> pdb=" O LEU A1452 " (cutoff:3.500A) Processing helix chain 'A' and resid 1476 through 1485 removed outlier: 6.561A pdb=" N LEU A1480 " --> pdb=" O ALA A1476 " (cutoff:3.500A) removed outlier: 4.640A pdb=" N GLY A1482 " --> pdb=" O GLU A1478 " (cutoff:3.500A) removed outlier: 5.277A pdb=" N SER A1483 " --> pdb=" O GLU A1479 " (cutoff:3.500A) removed outlier: 5.075A pdb=" N ASP A1485 " --> pdb=" O GLU A1481 " (cutoff:3.500A) Processing helix chain 'A' and resid 1490 through 1496 removed outlier: 4.417A pdb=" N LEU A1494 " --> pdb=" O ARG A1490 " (cutoff:3.500A) removed outlier: 4.444A pdb=" N PHE A1495 " --> pdb=" O ILE A1491 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N GLN A1496 " --> pdb=" O SER A1492 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1490 through 1496' Processing helix chain 'A' and resid 1498 through 1506 removed outlier: 4.529A pdb=" N TYR A1504 " --> pdb=" O HIS A1500 " (cutoff:3.500A) removed outlier: 4.107A pdb=" N ASP A1505 " --> pdb=" O THR A1501 " (cutoff:3.500A) removed outlier: 5.202A pdb=" N ARG A1506 " --> pdb=" O LEU A1502 " (cutoff:3.500A) Processing helix chain 'A' and resid 1507 through 1519 removed outlier: 4.480A pdb=" N GLN A1516 " --> pdb=" O ARG A1512 " (cutoff:3.500A) removed outlier: 5.637A pdb=" N TYR A1517 " --> pdb=" O GLU A1513 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N SER A1518 " --> pdb=" O PHE A1514 " (cutoff:3.500A) Processing helix chain 'A' and resid 1529 through 1534 Processing helix chain 'A' and resid 1539 through 1551 removed outlier: 3.729A pdb=" N ARG A1543 " --> pdb=" O LEU A1539 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N THR A1544 " --> pdb=" O ASN A1540 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N GLY A1551 " --> pdb=" O ILE A1547 " (cutoff:3.500A) Processing helix chain 'A' and resid 1552 through 1561 removed outlier: 4.249A pdb=" N HIS A1559 " --> pdb=" O THR A1555 " (cutoff:3.500A) removed outlier: 4.521A pdb=" N THR A1560 " --> pdb=" O ILE A1556 " (cutoff:3.500A) removed outlier: 5.743A pdb=" N LEU A1561 " --> pdb=" O LEU A1557 " (cutoff:3.500A) Processing helix chain 'A' and resid 1591 through 1596 Processing helix chain 'A' and resid 1600 through 1611 Processing helix chain 'A' and resid 1638 through 1650 removed outlier: 3.534A pdb=" N PHE A1649 " --> pdb=" O LEU A1645 " (cutoff:3.500A) removed outlier: 3.943A pdb=" N ARG A1650 " --> pdb=" O ILE A1646 " (cutoff:3.500A) Processing helix chain 'A' and resid 1652 through 1677 removed outlier: 3.593A pdb=" N LEU A1673 " --> pdb=" O LEU A1669 " (cutoff:3.500A) removed outlier: 6.124A pdb=" N ASP A1674 " --> pdb=" O ASP A1670 " (cutoff:3.500A) removed outlier: 5.758A pdb=" N VAL A1675 " --> pdb=" O GLY A1671 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N GLN A1677 " --> pdb=" O LEU A1673 " (cutoff:3.500A) Processing helix chain 'A' and resid 1747 through 1762 removed outlier: 3.677A pdb=" N TYR A1751 " --> pdb=" O ASP A1747 " (cutoff:3.500A) Processing helix chain 'A' and resid 1793 through 1809 removed outlier: 3.877A pdb=" N LEU A1797 " --> pdb=" O GLY A1793 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N ASN A1800 " --> pdb=" O PRO A1796 " (cutoff:3.500A) removed outlier: 3.946A pdb=" N LYS A1807 " --> pdb=" O ARG A1803 " (cutoff:3.500A) Processing helix chain 'A' and resid 1810 through 1824 removed outlier: 3.586A pdb=" N ARG A1820 " --> pdb=" O ARG A1816 " (cutoff:3.500A) Processing helix chain 'A' and resid 1831 through 1837 removed outlier: 3.843A pdb=" N LEU A1835 " --> pdb=" O GLN A1831 " (cutoff:3.500A) removed outlier: 4.879A pdb=" N ASN A1836 " --> pdb=" O GLU A1832 " (cutoff:3.500A) removed outlier: 5.753A pdb=" N SER A1837 " --> pdb=" O PRO A1833 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1831 through 1837' Processing helix chain 'A' and resid 1838 through 1843 removed outlier: 3.549A pdb=" N GLU A1842 " --> pdb=" O SER A1838 " (cutoff:3.500A) removed outlier: 4.383A pdb=" N LEU A1843 " --> pdb=" O ASN A1839 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1838 through 1843' Processing helix chain 'A' and resid 1895 through 1901 removed outlier: 4.494A pdb=" N TRP A1899 " --> pdb=" O HIS A1895 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N ALA A1900 " --> pdb=" O THR A1896 " (cutoff:3.500A) removed outlier: 5.271A pdb=" N GLY A1901 " --> pdb=" O SER A1897 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1895 through 1901' Processing helix chain 'A' and resid 1904 through 1925 removed outlier: 4.005A pdb=" N LEU A1908 " --> pdb=" O ARG A1904 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N LYS A1910 " --> pdb=" O SER A1906 " (cutoff:3.500A) Proline residue: A1925 - end of helix Processing helix chain 'A' and resid 1940 through 1949 removed outlier: 4.437A pdb=" N LEU A1949 " --> pdb=" O GLU A1945 " (cutoff:3.500A) Processing helix chain 'A' and resid 1964 through 1969 removed outlier: 4.900A pdb=" N ALA A1968 " --> pdb=" O PRO A1964 " (cutoff:3.500A) removed outlier: 5.160A pdb=" N MET A1969 " --> pdb=" O PHE A1965 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 1964 through 1969' Processing helix chain 'A' and resid 1971 through 1981 removed outlier: 3.629A pdb=" N LYS A1980 " --> pdb=" O ASP A1976 " (cutoff:3.500A) Processing helix chain 'A' and resid 2000 through 2018 Processing helix chain 'A' and resid 2019 through 2028 removed outlier: 3.552A pdb=" N ILE A2025 " --> pdb=" O SER A2021 " (cutoff:3.500A) Processing helix chain 'A' and resid 2044 through 2068 removed outlier: 3.690A pdb=" N SER A2053 " --> pdb=" O ILE A2049 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N ILE A2059 " --> pdb=" O MET A2055 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N LEU A2060 " --> pdb=" O ARG A2056 " (cutoff:3.500A) Processing helix chain 'A' and resid 2075 through 2085 Processing helix chain 'A' and resid 2151 through 2169 removed outlier: 3.504A pdb=" N SER A2155 " --> pdb=" O GLU A2151 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N THR A2160 " --> pdb=" O ALA A2156 " (cutoff:3.500A) removed outlier: 4.570A pdb=" N LEU A2161 " --> pdb=" O ILE A2157 " (cutoff:3.500A) removed outlier: 4.143A pdb=" N LEU A2162 " --> pdb=" O ALA A2158 " (cutoff:3.500A) removed outlier: 5.258A pdb=" N TYR A2163 " --> pdb=" O ASN A2159 " (cutoff:3.500A) removed outlier: 5.772A pdb=" N LEU A2164 " --> pdb=" O THR A2160 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N ARG A2165 " --> pdb=" O LEU A2161 " (cutoff:3.500A) removed outlier: 3.912A pdb=" N LEU A2166 " --> pdb=" O LEU A2162 " (cutoff:3.500A) removed outlier: 4.548A pdb=" N LYS A2167 " --> pdb=" O TYR A2163 " (cutoff:3.500A) removed outlier: 4.768A pdb=" N ASN A2168 " --> pdb=" O LEU A2164 " (cutoff:3.500A) removed outlier: 5.256A pdb=" N ILE A2169 " --> pdb=" O ARG A2165 " (cutoff:3.500A) Processing helix chain 'A' and resid 2186 through 2197 removed outlier: 3.889A pdb=" N LEU A2190 " --> pdb=" O PRO A2186 " (cutoff:3.500A) Processing helix chain 'A' and resid 2270 through 2281 Processing helix chain 'A' and resid 2308 through 2319 removed outlier: 5.053A pdb=" N LYS A2319 " --> pdb=" O GLY A2315 " (cutoff:3.500A) Processing helix chain 'A' and resid 2358 through 2363 removed outlier: 4.509A pdb=" N MET A2362 " --> pdb=" O ASN A2358 " (cutoff:3.500A) Processing helix chain 'A' and resid 2384 through 2389 removed outlier: 3.776A pdb=" N ARG A2388 " --> pdb=" O ASN A2384 " (cutoff:3.500A) Proline residue: A2389 - end of helix No H-bonds generated for 'chain 'A' and resid 2384 through 2389' Processing helix chain 'A' and resid 2390 through 2396 removed outlier: 4.564A pdb=" N PHE A2395 " --> pdb=" O HIS A2391 " (cutoff:3.500A) removed outlier: 3.766A pdb=" N SER A2396 " --> pdb=" O PHE A2392 " (cutoff:3.500A) Processing helix chain 'A' and resid 540 through 545 removed outlier: 5.807A pdb=" N LYS A 544 " --> pdb=" O ASN A 541 " (cutoff:3.500A) removed outlier: 3.984A pdb=" N THR A 545 " --> pdb=" O HIS A 542 " (cutoff:3.500A) Processing helix chain 'A' and resid 1687 through 1692 removed outlier: 4.752A pdb=" N SER A1691 " --> pdb=" O PRO A1688 " (cutoff:3.500A) Processing helix chain 'A' and resid 2330 through 2335 removed outlier: 3.838A pdb=" N SER A2334 " --> pdb=" O PRO A2331 " (cutoff:3.500A) removed outlier: 5.098A pdb=" N THR A2335 " --> pdb=" O THR A2332 " (cutoff:3.500A) Processing helix chain 'B' and resid 113 through 132 removed outlier: 3.641A pdb=" N THR B 119 " --> pdb=" O SER B 115 " (cutoff:3.500A) removed outlier: 4.256A pdb=" N GLN B 122 " --> pdb=" O GLU B 118 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N TRP B 126 " --> pdb=" O GLN B 122 " (cutoff:3.500A) Processing helix chain 'B' and resid 136 through 156 removed outlier: 3.642A pdb=" N ILE B 146 " --> pdb=" O GLY B 142 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N LYS B 152 " --> pdb=" O ILE B 148 " (cutoff:3.500A) removed outlier: 4.252A pdb=" N ASN B 154 " --> pdb=" O GLN B 150 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N GLU B 155 " --> pdb=" O LEU B 151 " (cutoff:3.500A) removed outlier: 4.917A pdb=" N GLU B 156 " --> pdb=" O LYS B 152 " (cutoff:3.500A) Processing helix chain 'B' and resid 161 through 174 removed outlier: 4.206A pdb=" N ARG B 165 " --> pdb=" O ASN B 161 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N GLU B 167 " --> pdb=" O GLU B 163 " (cutoff:3.500A) Processing helix chain 'B' and resid 178 through 192 removed outlier: 5.616A pdb=" N PHE B 182 " --> pdb=" O ASP B 178 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N GLU B 184 " --> pdb=" O LEU B 180 " (cutoff:3.500A) removed outlier: 4.107A pdb=" N ILE B 192 " --> pdb=" O LEU B 188 " (cutoff:3.500A) Processing helix chain 'B' and resid 428 through 433 removed outlier: 3.987A pdb=" N ILE B 432 " --> pdb=" O ASP B 428 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N LYS B 433 " --> pdb=" O LEU B 429 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 428 through 433' Processing helix chain 'B' and resid 484 through 492 removed outlier: 4.517A pdb=" N GLU B 489 " --> pdb=" O ASP B 485 " (cutoff:3.500A) removed outlier: 5.412A pdb=" N ALA B 490 " --> pdb=" O TRP B 486 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N PHE B 491 " --> pdb=" O CYS B 487 " (cutoff:3.500A) Proline residue: B 492 - end of helix Processing helix chain 'B' and resid 500 through 508 removed outlier: 3.632A pdb=" N VAL B 506 " --> pdb=" O ILE B 502 " (cutoff:3.500A) removed outlier: 3.819A pdb=" N PHE B 507 " --> pdb=" O GLN B 503 " (cutoff:3.500A) removed outlier: 5.077A pdb=" N HIS B 508 " --> pdb=" O SER B 504 " (cutoff:3.500A) Processing helix chain 'B' and resid 526 through 543 removed outlier: 3.515A pdb=" N LEU B 532 " --> pdb=" O THR B 528 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N THR B 534 " --> pdb=" O ILE B 530 " (cutoff:3.500A) removed outlier: 4.177A pdb=" N HIS B 541 " --> pdb=" O LYS B 537 " (cutoff:3.500A) removed outlier: 4.193A pdb=" N HIS B 542 " --> pdb=" O ALA B 538 " (cutoff:3.500A) Processing helix chain 'B' and resid 563 through 578 removed outlier: 3.958A pdb=" N GLU B 569 " --> pdb=" O ALA B 565 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLN B 570 " --> pdb=" O LEU B 566 " (cutoff:3.500A) Processing helix chain 'B' and resid 595 through 603 removed outlier: 3.859A pdb=" N ASP B 600 " --> pdb=" O ARG B 596 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N GLU B 601 " --> pdb=" O LYS B 597 " (cutoff:3.500A) removed outlier: 5.389A pdb=" N GLN B 603 " --> pdb=" O ILE B 599 " (cutoff:3.500A) Processing helix chain 'B' and resid 608 through 618 Processing helix chain 'B' and resid 621 through 628 removed outlier: 3.595A pdb=" N GLU B 626 " --> pdb=" O LEU B 622 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N LEU B 627 " --> pdb=" O ALA B 623 " (cutoff:3.500A) Processing helix chain 'B' and resid 643 through 657 removed outlier: 4.588A pdb=" N LEU B 647 " --> pdb=" O ARG B 643 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N GLU B 648 " --> pdb=" O GLY B 644 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ALA B 657 " --> pdb=" O ARG B 653 " (cutoff:3.500A) Processing helix chain 'B' and resid 676 through 685 Processing helix chain 'B' and resid 714 through 737 removed outlier: 3.617A pdb=" N ASN B 723 " --> pdb=" O LEU B 719 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP B 724 " --> pdb=" O LYS B 720 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLU B 732 " --> pdb=" O GLU B 728 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N SER B 733 " --> pdb=" O LYS B 729 " (cutoff:3.500A) Processing helix chain 'B' and resid 746 through 765 removed outlier: 3.777A pdb=" N SER B 751 " --> pdb=" O ARG B 747 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ALA B 762 " --> pdb=" O LYS B 758 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU B 763 " --> pdb=" O ASN B 759 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLU B 764 " --> pdb=" O LYS B 760 " (cutoff:3.500A) Processing helix chain 'B' and resid 775 through 788 removed outlier: 4.690A pdb=" N GLN B 779 " --> pdb=" O ALA B 775 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N THR B 783 " --> pdb=" O GLN B 779 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N ASN B 787 " --> pdb=" O THR B 783 " (cutoff:3.500A) removed outlier: 4.399A pdb=" N VAL B 788 " --> pdb=" O GLU B 784 " (cutoff:3.500A) Processing helix chain 'B' and resid 790 through 800 removed outlier: 3.572A pdb=" N LYS B 795 " --> pdb=" O PRO B 791 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N GLU B 798 " --> pdb=" O ARG B 794 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N SER B 799 " --> pdb=" O LYS B 795 " (cutoff:3.500A) Processing helix chain 'B' and resid 809 through 823 removed outlier: 3.805A pdb=" N GLU B 817 " --> pdb=" O ARG B 813 " (cutoff:3.500A) Processing helix chain 'B' and resid 831 through 837 removed outlier: 4.297A pdb=" N ALA B 835 " --> pdb=" O THR B 831 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N GLY B 837 " --> pdb=" O THR B 833 " (cutoff:3.500A) Processing helix chain 'B' and resid 864 through 876 removed outlier: 3.616A pdb=" N GLN B 870 " --> pdb=" O GLN B 866 " (cutoff:3.500A) removed outlier: 4.248A pdb=" N ARG B 874 " --> pdb=" O GLN B 870 " (cutoff:3.500A) removed outlier: 4.444A pdb=" N ALA B 875 " --> pdb=" O MET B 871 " (cutoff:3.500A) removed outlier: 5.952A pdb=" N GLY B 876 " --> pdb=" O LEU B 872 " (cutoff:3.500A) Processing helix chain 'B' and resid 892 through 904 removed outlier: 4.302A pdb=" N GLN B 896 " --> pdb=" O GLN B 892 " (cutoff:3.500A) removed outlier: 4.355A pdb=" N TYR B 897 " --> pdb=" O SER B 893 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N LEU B 902 " --> pdb=" O TYR B 898 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N GLN B 904 " --> pdb=" O SER B 900 " (cutoff:3.500A) Processing helix chain 'B' and resid 911 through 927 removed outlier: 3.984A pdb=" N LYS B 915 " --> pdb=" O GLN B 911 " (cutoff:3.500A) removed outlier: 4.727A pdb=" N VAL B 917 " --> pdb=" O VAL B 913 " (cutoff:3.500A) removed outlier: 5.381A pdb=" N ASP B 918 " --> pdb=" O SER B 914 " (cutoff:3.500A) Processing helix chain 'B' and resid 931 through 943 removed outlier: 3.517A pdb=" N ALA B 935 " --> pdb=" O CYS B 931 " (cutoff:3.500A) removed outlier: 3.605A pdb=" N VAL B 936 " --> pdb=" O ARG B 932 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N TRP B 938 " --> pdb=" O ASP B 934 " (cutoff:3.500A) removed outlier: 4.311A pdb=" N TYR B 941 " --> pdb=" O ASN B 937 " (cutoff:3.500A) removed outlier: 4.132A pdb=" N THR B 942 " --> pdb=" O TRP B 938 " (cutoff:3.500A) removed outlier: 5.385A pdb=" N TYR B 943 " --> pdb=" O LEU B 939 " (cutoff:3.500A) Processing helix chain 'B' and resid 944 through 952 Proline residue: B 952 - end of helix Processing helix chain 'B' and resid 959 through 964 removed outlier: 3.852A pdb=" N ASP B 963 " --> pdb=" O ASP B 959 " (cutoff:3.500A) Processing helix chain 'B' and resid 966 through 985 removed outlier: 3.595A pdb=" N GLU B 971 " --> pdb=" O LYS B 967 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N SER B 976 " --> pdb=" O SER B 972 " (cutoff:3.500A) Processing helix chain 'B' and resid 999 through 1009 removed outlier: 3.687A pdb=" N ALA B1005 " --> pdb=" O LEU B1001 " (cutoff:3.500A) Processing helix chain 'B' and resid 1011 through 1022 removed outlier: 3.686A pdb=" N MET B1015 " --> pdb=" O ASN B1011 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N VAL B1017 " --> pdb=" O ALA B1013 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N ARG B1020 " --> pdb=" O ASP B1016 " (cutoff:3.500A) Processing helix chain 'B' and resid 1027 through 1038 removed outlier: 3.819A pdb=" N PHE B1032 " --> pdb=" O GLN B1028 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N MET B1037 " --> pdb=" O ARG B1033 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N SER B1038 " --> pdb=" O ILE B1034 " (cutoff:3.500A) Processing helix chain 'B' and resid 1047 through 1061 removed outlier: 4.351A pdb=" N ARG B1052 " --> pdb=" O TYR B1048 " (cutoff:3.500A) removed outlier: 4.981A pdb=" N GLU B1053 " --> pdb=" O GLU B1049 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N GLN B1056 " --> pdb=" O ARG B1052 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N GLU B1059 " --> pdb=" O LYS B1055 " (cutoff:3.500A) Processing helix chain 'B' and resid 1071 through 1086 Processing helix chain 'B' and resid 1091 through 1120 removed outlier: 3.582A pdb=" N VAL B1099 " --> pdb=" O ASN B1095 " (cutoff:3.500A) removed outlier: 5.217A pdb=" N ARG B1107 " --> pdb=" O GLN B1103 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ARG B1110 " --> pdb=" O GLY B1106 " (cutoff:3.500A) Processing helix chain 'B' and resid 1121 through 1138 removed outlier: 3.540A pdb=" N ARG B1126 " --> pdb=" O GLY B1122 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N LEU B1131 " --> pdb=" O MET B1127 " (cutoff:3.500A) removed outlier: 3.976A pdb=" N THR B1136 " --> pdb=" O CYS B1132 " (cutoff:3.500A) Processing helix chain 'B' and resid 1145 through 1150 removed outlier: 4.551A pdb=" N PHE B1149 " --> pdb=" O PRO B1145 " (cutoff:3.500A) removed outlier: 5.461A pdb=" N LYS B1150 " --> pdb=" O LEU B1146 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 1145 through 1150' Processing helix chain 'B' and resid 1153 through 1164 removed outlier: 3.517A pdb=" N ILE B1157 " --> pdb=" O PRO B1153 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N ARG B1159 " --> pdb=" O GLU B1155 " (cutoff:3.500A) removed outlier: 4.080A pdb=" N ALA B1162 " --> pdb=" O LYS B1158 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N SER B1163 " --> pdb=" O ARG B1159 " (cutoff:3.500A) removed outlier: 4.523A pdb=" N THR B1164 " --> pdb=" O LEU B1160 " (cutoff:3.500A) Processing helix chain 'B' and resid 1166 through 1173 removed outlier: 3.779A pdb=" N TYR B1170 " --> pdb=" O PRO B1166 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N LEU B1171 " --> pdb=" O TRP B1167 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N LEU B1173 " --> pdb=" O ASP B1169 " (cutoff:3.500A) Processing helix chain 'B' and resid 1175 through 1184 removed outlier: 3.809A pdb=" N ALA B1182 " --> pdb=" O GLU B1178 " (cutoff:3.500A) Processing helix chain 'B' and resid 1185 through 1200 removed outlier: 3.512A pdb=" N GLY B1189 " --> pdb=" O SER B1185 " (cutoff:3.500A) removed outlier: 5.647A pdb=" N LYS B1190 " --> pdb=" O GLU B1186 " (cutoff:3.500A) removed outlier: 5.837A pdb=" N GLN B1191 " --> pdb=" O LYS B1187 " (cutoff:3.500A) removed outlier: 5.628A pdb=" N TYR B1193 " --> pdb=" O GLY B1189 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N ASP B1194 " --> pdb=" O LYS B1190 " (cutoff:3.500A) Proline residue: B1200 - end of helix Processing helix chain 'B' and resid 1277 through 1284 removed outlier: 3.515A pdb=" N ASN B1283 " --> pdb=" O HIS B1279 " (cutoff:3.500A) removed outlier: 4.032A pdb=" N LEU B1284 " --> pdb=" O ASN B1280 " (cutoff:3.500A) Processing helix chain 'B' and resid 1336 through 1342 removed outlier: 4.988A pdb=" N VAL B1342 " --> pdb=" O ASP B1338 " (cutoff:3.500A) Processing helix chain 'B' and resid 1349 through 1360 removed outlier: 4.658A pdb=" N GLU B1357 " --> pdb=" O SER B1353 " (cutoff:3.500A) removed outlier: 5.815A pdb=" N SER B1358 " --> pdb=" O GLN B1354 " (cutoff:3.500A) Processing helix chain 'B' and resid 1375 through 1391 removed outlier: 4.563A pdb=" N MET B1379 " --> pdb=" O GLY B1375 " (cutoff:3.500A) removed outlier: 3.616A pdb=" N GLN B1390 " --> pdb=" O ASN B1386 " (cutoff:3.500A) Processing helix chain 'B' and resid 1401 through 1416 removed outlier: 3.775A pdb=" N SER B1410 " --> pdb=" O ASP B1406 " (cutoff:3.500A) removed outlier: 3.942A pdb=" N LYS B1414 " --> pdb=" O SER B1410 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N PHE B1416 " --> pdb=" O TRP B1412 " (cutoff:3.500A) Processing helix chain 'B' and resid 1431 through 1442 Processing helix chain 'B' and resid 1448 through 1457 removed outlier: 3.819A pdb=" N ARG B1457 " --> pdb=" O GLU B1453 " (cutoff:3.500A) Processing helix chain 'B' and resid 1458 through 1463 removed outlier: 4.553A pdb=" N LYS B1463 " --> pdb=" O TRP B1459 " (cutoff:3.500A) Processing helix chain 'B' and resid 1477 through 1482 removed outlier: 4.854A pdb=" N GLN B1481 " --> pdb=" O HIS B1477 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N GLY B1482 " --> pdb=" O GLU B1478 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 1477 through 1482' Processing helix chain 'B' and resid 1483 through 1503 removed outlier: 3.554A pdb=" N ILE B1492 " --> pdb=" O TYR B1488 " (cutoff:3.500A) Processing helix chain 'B' and resid 1518 through 1526 removed outlier: 3.558A pdb=" N GLY B1526 " --> pdb=" O GLY B1522 " (cutoff:3.500A) Processing helix chain 'B' and resid 1528 through 1533 removed outlier: 3.635A pdb=" N ILE B1532 " --> pdb=" O THR B1528 " (cutoff:3.500A) removed outlier: 6.157A pdb=" N TYR B1533 " --> pdb=" O LYS B1529 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 1528 through 1533' Processing helix chain 'B' and resid 1560 through 1578 removed outlier: 3.712A pdb=" N MET B1566 " --> pdb=" O SER B1562 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N PHE B1568 " --> pdb=" O LEU B1564 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N ALA B1570 " --> pdb=" O MET B1566 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N ARG B1578 " --> pdb=" O ALA B1574 " (cutoff:3.500A) Processing helix chain 'B' and resid 1587 through 1606 removed outlier: 3.731A pdb=" N GLU B1593 " --> pdb=" O LYS B1589 " (cutoff:3.500A) removed outlier: 4.646A pdb=" N ALA B1604 " --> pdb=" O LYS B1600 " (cutoff:3.500A) removed outlier: 3.971A pdb=" N ILE B1605 " --> pdb=" O PHE B1601 " (cutoff:3.500A) removed outlier: 4.837A pdb=" N GLU B1606 " --> pdb=" O SER B1602 " (cutoff:3.500A) Processing helix chain 'B' and resid 1613 through 1624 Proline residue: B1619 - end of helix removed outlier: 4.002A pdb=" N LYS B1623 " --> pdb=" O PRO B1619 " (cutoff:3.500A) removed outlier: 4.425A pdb=" N LEU B1624 " --> pdb=" O TYR B1620 " (cutoff:3.500A) Processing helix chain 'B' and resid 1628 through 1636 Proline residue: B1632 - end of helix removed outlier: 4.105A pdb=" N HIS B1635 " --> pdb=" O ALA B1631 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N GLY B1636 " --> pdb=" O PRO B1632 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 1628 through 1636' Processing helix chain 'B' and resid 1645 through 1659 removed outlier: 3.723A pdb=" N GLU B1649 " --> pdb=" O ALA B1645 " (cutoff:3.500A) Processing helix chain 'B' and resid 1667 through 1672 removed outlier: 3.729A pdb=" N SER B1671 " --> pdb=" O SER B1667 " (cutoff:3.500A) removed outlier: 5.368A pdb=" N ALA B1672 " --> pdb=" O LYS B1668 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 1667 through 1672' Processing helix chain 'B' and resid 1699 through 1710 removed outlier: 3.634A pdb=" N MET B1706 " --> pdb=" O GLU B1702 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N LEU B1709 " --> pdb=" O GLU B1705 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N ALA B1710 " --> pdb=" O MET B1706 " (cutoff:3.500A) Processing helix chain 'B' and resid 1725 through 1738 removed outlier: 3.523A pdb=" N LYS B1729 " --> pdb=" O SER B1725 " (cutoff:3.500A) removed outlier: 4.769A pdb=" N ALA B1730 " --> pdb=" O HIS B1726 " (cutoff:3.500A) removed outlier: 5.202A pdb=" N TYR B1731 " --> pdb=" O ASN B1727 " (cutoff:3.500A) removed outlier: 4.748A pdb=" N ILE B1737 " --> pdb=" O LYS B1733 " (cutoff:3.500A) Processing helix chain 'B' and resid 1745 through 1761 removed outlier: 4.075A pdb=" N ILE B1749 " --> pdb=" O TYR B1745 " (cutoff:3.500A) removed outlier: 5.376A pdb=" N HIS B1751 " --> pdb=" O GLN B1747 " (cutoff:3.500A) removed outlier: 6.207A pdb=" N ASP B1752 " --> pdb=" O TYR B1748 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N THR B1753 " --> pdb=" O ILE B1749 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N ASN B1755 " --> pdb=" O HIS B1751 " (cutoff:3.500A) Processing helix chain 'B' and resid 1765 through 1777 removed outlier: 4.210A pdb=" N CYS B1769 " --> pdb=" O SER B1765 " (cutoff:3.500A) removed outlier: 4.233A pdb=" N VAL B1770 " --> pdb=" O LYS B1766 " (cutoff:3.500A) removed outlier: 4.454A pdb=" N THR B1774 " --> pdb=" O VAL B1770 " (cutoff:3.500A) removed outlier: 4.901A pdb=" N TYR B1775 " --> pdb=" O ASP B1771 " (cutoff:3.500A) removed outlier: 4.718A pdb=" N SER B1776 " --> pdb=" O TRP B1772 " (cutoff:3.500A) removed outlier: 5.342A pdb=" N TYR B1777 " --> pdb=" O PHE B1773 " (cutoff:3.500A) Processing helix chain 'B' and resid 1778 through 1785 removed outlier: 3.544A pdb=" N ILE B1782 " --> pdb=" O PHE B1778 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N HIS B1783 " --> pdb=" O TYR B1779 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N VAL B1784 " --> pdb=" O ARG B1780 " (cutoff:3.500A) Processing helix chain 'B' and resid 1795 through 1818 Processing helix chain 'B' and resid 1847 through 1857 Processing helix chain 'B' and resid 1859 through 1870 removed outlier: 3.697A pdb=" N ILE B1863 " --> pdb=" O SER B1859 " (cutoff:3.500A) Processing helix chain 'B' and resid 1875 through 1887 removed outlier: 3.646A pdb=" N ALA B1886 " --> pdb=" O VAL B1882 " (cutoff:3.500A) removed outlier: 5.771A pdb=" N VAL B1887 " --> pdb=" O LEU B1883 " (cutoff:3.500A) Processing helix chain 'B' and resid 1888 through 1893 removed outlier: 4.861A pdb=" N VAL B1892 " --> pdb=" O GLU B1888 " (cutoff:3.500A) Proline residue: B1893 - end of helix No H-bonds generated for 'chain 'B' and resid 1888 through 1893' Processing helix chain 'B' and resid 1897 through 1910 removed outlier: 3.744A pdb=" N LEU B1905 " --> pdb=" O LEU B1901 " (cutoff:3.500A) removed outlier: 4.482A pdb=" N ARG B1908 " --> pdb=" O LYS B1904 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N LEU B1909 " --> pdb=" O LEU B1905 " (cutoff:3.500A) Proline residue: B1910 - end of helix Processing helix chain 'B' and resid 1921 through 1936 removed outlier: 3.816A pdb=" N LYS B1925 " --> pdb=" O SER B1921 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU B1928 " --> pdb=" O PHE B1924 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N GLN B1931 " --> pdb=" O PHE B1927 " (cutoff:3.500A) Processing helix chain 'B' and resid 1940 through 1969 removed outlier: 3.949A pdb=" N GLU B1952 " --> pdb=" O LYS B1948 " (cutoff:3.500A) removed outlier: 4.200A pdb=" N LYS B1953 " --> pdb=" O ASP B1949 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N VAL B1954 " --> pdb=" O ILE B1950 " (cutoff:3.500A) removed outlier: 5.175A pdb=" N VAL B1955 " --> pdb=" O LEU B1951 " (cutoff:3.500A) Proline residue: B1956 - end of helix Processing helix chain 'B' and resid 1971 through 1986 removed outlier: 4.425A pdb=" N THR B1975 " --> pdb=" O LEU B1971 " (cutoff:3.500A) removed outlier: 4.841A pdb=" N ILE B1984 " --> pdb=" O ALA B1980 " (cutoff:3.500A) Processing helix chain 'B' and resid 1992 through 1998 removed outlier: 4.162A pdb=" N GLN B1996 " --> pdb=" O ASN B1992 " (cutoff:3.500A) removed outlier: 4.081A pdb=" N ILE B1997 " --> pdb=" O PRO B1993 " (cutoff:3.500A) Proline residue: B1998 - end of helix No H-bonds generated for 'chain 'B' and resid 1992 through 1998' Processing helix chain 'B' and resid 2001 through 2010 removed outlier: 3.787A pdb=" N GLU B2006 " --> pdb=" O ASN B2002 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N LYS B2007 " --> pdb=" O LYS B2003 " (cutoff:3.500A) Processing helix chain 'B' and resid 2015 through 2022 removed outlier: 3.848A pdb=" N ILE B2019 " --> pdb=" O THR B2015 " (cutoff:3.500A) removed outlier: 3.897A pdb=" N MET B2020 " --> pdb=" O VAL B2016 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N LEU B2022 " --> pdb=" O ASP B2018 " (cutoff:3.500A) Processing helix chain 'B' and resid 2023 through 2032 removed outlier: 4.693A pdb=" N THR B2032 " --> pdb=" O ASP B2028 " (cutoff:3.500A) Processing helix chain 'B' and resid 2034 through 2048 Processing helix chain 'B' and resid 766 through 771 removed outlier: 5.657A pdb=" N THR B 771 " --> pdb=" O ILE B 766 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 766 through 771' Processing helix chain 'C' and resid 119 through 130 removed outlier: 3.582A pdb=" N MET C 123 " --> pdb=" O ASN C 119 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N MET C 126 " --> pdb=" O TYR C 122 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N ALA C 127 " --> pdb=" O MET C 123 " (cutoff:3.500A) removed outlier: 4.506A pdb=" N ASN C 128 " --> pdb=" O LEU C 124 " (cutoff:3.500A) removed outlier: 4.684A pdb=" N ILE C 129 " --> pdb=" O SER C 125 " (cutoff:3.500A) Proline residue: C 130 - end of helix Processing helix chain 'C' and resid 145 through 159 removed outlier: 3.796A pdb=" N LEU C 152 " --> pdb=" O SER C 148 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N LEU C 153 " --> pdb=" O LEU C 149 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N ILE C 155 " --> pdb=" O ASP C 151 " (cutoff:3.500A) removed outlier: 5.178A pdb=" N LYS C 159 " --> pdb=" O ILE C 155 " (cutoff:3.500A) Processing helix chain 'C' and resid 165 through 171 Processing helix chain 'C' and resid 181 through 188 Processing helix chain 'C' and resid 221 through 232 removed outlier: 3.790A pdb=" N THR C 225 " --> pdb=" O PHE C 221 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ALA C 231 " --> pdb=" O VAL C 227 " (cutoff:3.500A) Processing helix chain 'C' and resid 246 through 260 removed outlier: 3.533A pdb=" N LEU C 252 " --> pdb=" O VAL C 248 " (cutoff:3.500A) Processing helix chain 'C' and resid 269 through 275 removed outlier: 4.334A pdb=" N LEU C 273 " --> pdb=" O LYS C 269 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N ILE C 274 " --> pdb=" O LEU C 270 " (cutoff:3.500A) Processing helix chain 'C' and resid 280 through 300 removed outlier: 3.555A pdb=" N TYR C 285 " --> pdb=" O PRO C 281 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N LYS C 287 " --> pdb=" O ASP C 283 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N ASN C 296 " --> pdb=" O ILE C 292 " (cutoff:3.500A) removed outlier: 3.971A pdb=" N SER C 297 " --> pdb=" O ALA C 293 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N PHE C 298 " --> pdb=" O ASN C 294 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N LYS C 300 " --> pdb=" O ASN C 296 " (cutoff:3.500A) Processing helix chain 'C' and resid 323 through 331 removed outlier: 4.101A pdb=" N TYR C 330 " --> pdb=" O GLU C 326 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N TYR C 331 " --> pdb=" O PHE C 327 " (cutoff:3.500A) Processing helix chain 'C' and resid 332 through 337 removed outlier: 3.660A pdb=" N ILE C 336 " --> pdb=" O TYR C 332 " (cutoff:3.500A) Proline residue: C 337 - end of helix No H-bonds generated for 'chain 'C' and resid 332 through 337' Processing helix chain 'C' and resid 340 through 349 removed outlier: 3.830A pdb=" N THR C 346 " --> pdb=" O ASP C 342 " (cutoff:3.500A) removed outlier: 4.150A pdb=" N TRP C 349 " --> pdb=" O THR C 345 " (cutoff:3.500A) Processing helix chain 'C' and resid 371 through 390 removed outlier: 3.649A pdb=" N LEU C 378 " --> pdb=" O VAL C 374 " (cutoff:3.500A) removed outlier: 4.643A pdb=" N ILE C 379 " --> pdb=" O GLU C 375 " (cutoff:3.500A) Proline residue: C 380 - end of helix Processing helix chain 'C' and resid 392 through 403 removed outlier: 3.592A pdb=" N ARG C 401 " --> pdb=" O LYS C 397 " (cutoff:3.500A) Processing helix chain 'C' and resid 409 through 415 removed outlier: 3.673A pdb=" N GLN C 414 " --> pdb=" O GLN C 410 " (cutoff:3.500A) removed outlier: 4.258A pdb=" N TYR C 415 " --> pdb=" O GLU C 411 " (cutoff:3.500A) Processing helix chain 'C' and resid 416 through 430 removed outlier: 4.124A pdb=" N ARG C 430 " --> pdb=" O GLN C 426 " (cutoff:3.500A) Processing helix chain 'C' and resid 432 through 449 removed outlier: 4.442A pdb=" N VAL C 436 " --> pdb=" O GLN C 432 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N CYS C 442 " --> pdb=" O ALA C 438 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N TYR C 443 " --> pdb=" O ILE C 439 " (cutoff:3.500A) removed outlier: 5.928A pdb=" N GLN C 444 " --> pdb=" O THR C 440 " (cutoff:3.500A) Proline residue: C 445 - end of helix removed outlier: 3.638A pdb=" N LEU C 448 " --> pdb=" O GLN C 444 " (cutoff:3.500A) Processing helix chain 'C' and resid 450 through 457 removed outlier: 3.550A pdb=" N ALA C 454 " --> pdb=" O ASP C 450 " (cutoff:3.500A) Processing helix chain 'C' and resid 503 through 508 removed outlier: 4.154A pdb=" N GLU C 508 " --> pdb=" O THR C 504 " (cutoff:3.500A) Processing helix chain 'C' and resid 567 through 572 removed outlier: 4.578A pdb=" N TYR C 571 " --> pdb=" O ILE C 567 " (cutoff:3.500A) removed outlier: 5.486A pdb=" N ILE C 572 " --> pdb=" O SER C 568 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 567 through 572' Processing helix chain 'C' and resid 582 through 589 Processing helix chain 'C' and resid 614 through 629 removed outlier: 3.912A pdb=" N ASP C 620 " --> pdb=" O PRO C 616 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N ALA C 621 " --> pdb=" O LYS C 617 " (cutoff:3.500A) Processing helix chain 'C' and resid 648 through 661 Processing helix chain 'C' and resid 716 through 726 removed outlier: 4.115A pdb=" N ARG C 725 " --> pdb=" O GLN C 721 " (cutoff:3.500A) removed outlier: 4.533A pdb=" N ASN C 726 " --> pdb=" O ASP C 722 " (cutoff:3.500A) Processing helix chain 'C' and resid 743 through 755 Processing helix chain 'C' and resid 758 through 765 removed outlier: 4.015A pdb=" N ARG C 763 " --> pdb=" O SER C 759 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ASN C 764 " --> pdb=" O LEU C 760 " (cutoff:3.500A) Processing helix chain 'C' and resid 778 through 785 removed outlier: 3.756A pdb=" N GLU C 782 " --> pdb=" O THR C 778 " (cutoff:3.500A) Proline residue: C 785 - end of helix Processing helix chain 'C' and resid 786 through 806 removed outlier: 3.710A pdb=" N LYS C 790 " --> pdb=" O GLU C 786 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N TYR C 791 " --> pdb=" O LEU C 787 " (cutoff:3.500A) removed outlier: 4.891A pdb=" N GLU C 793 " --> pdb=" O SER C 789 " (cutoff:3.500A) removed outlier: 4.882A pdb=" N GLN C 794 " --> pdb=" O LYS C 790 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N GLN C 797 " --> pdb=" O GLU C 793 " (cutoff:3.500A) removed outlier: 3.912A pdb=" N ALA C 802 " --> pdb=" O GLY C 798 " (cutoff:3.500A) removed outlier: 4.502A pdb=" N GLU C 805 " --> pdb=" O TRP C 801 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N GLY C 806 " --> pdb=" O ALA C 802 " (cutoff:3.500A) Processing helix chain 'C' and resid 834 through 854 Proline residue: C 840 - end of helix removed outlier: 3.580A pdb=" N THR C 852 " --> pdb=" O VAL C 848 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N ALA C 853 " --> pdb=" O GLY C 849 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N ILE C 854 " --> pdb=" O LEU C 850 " (cutoff:3.500A) Processing helix chain 'C' and resid 872 through 884 removed outlier: 3.574A pdb=" N VAL C 876 " --> pdb=" O LEU C 872 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LYS C 881 " --> pdb=" O GLU C 877 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N ARG C 884 " --> pdb=" O MET C 880 " (cutoff:3.500A) Processing helix chain 'C' and resid 907 through 912 removed outlier: 4.251A pdb=" N ALA C 912 " --> pdb=" O VAL C 908 " (cutoff:3.500A) Processing helix chain 'C' and resid 913 through 923 removed outlier: 3.727A pdb=" N ASP C 917 " --> pdb=" O GLY C 913 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ASN C 923 " --> pdb=" O ARG C 919 " (cutoff:3.500A) Processing helix chain 'C' and resid 961 through 975 removed outlier: 4.883A pdb=" N ASP C 965 " --> pdb=" O SER C 961 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N ARG C 972 " --> pdb=" O MET C 968 " (cutoff:3.500A) Processing helix chain 'F' and resid 1144 through 1154 removed outlier: 3.607A pdb=" N ILE F1150 " --> pdb=" O GLU F1146 " (cutoff:3.500A) Processing helix chain 'F' and resid 1155 through 1161 removed outlier: 4.596A pdb=" N LEU F1159 " --> pdb=" O ASP F1155 " (cutoff:3.500A) removed outlier: 4.443A pdb=" N SER F1160 " --> pdb=" O PRO F1156 " (cutoff:3.500A) removed outlier: 4.337A pdb=" N ASN F1161 " --> pdb=" O SER F1157 " (cutoff:3.500A) No H-bonds generated for 'chain 'F' and resid 1155 through 1161' Processing helix chain 'F' and resid 1167 through 1177 removed outlier: 3.777A pdb=" N ILE F1171 " --> pdb=" O PRO F1167 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N THR F1172 " --> pdb=" O LEU F1168 " (cutoff:3.500A) Processing helix chain 'F' and resid 1233 through 1250 removed outlier: 6.723A pdb=" N VAL F1237 " --> pdb=" O SER F1233 " (cutoff:3.500A) removed outlier: 4.083A pdb=" N PHE F1238 " --> pdb=" O LYS F1234 " (cutoff:3.500A) removed outlier: 3.876A pdb=" N GLU F1249 " --> pdb=" O ASN F1245 " (cutoff:3.500A) removed outlier: 3.650A pdb=" N ALA F1250 " --> pdb=" O ILE F1246 " (cutoff:3.500A) Processing helix chain 'F' and resid 1251 through 1265 removed outlier: 3.682A pdb=" N TYR F1255 " --> pdb=" O ASP F1251 " (cutoff:3.500A) removed outlier: 3.864A pdb=" N ASN F1265 " --> pdb=" O ARG F1261 " (cutoff:3.500A) Processing helix chain 'F' and resid 1303 through 1310 removed outlier: 3.533A pdb=" N TYR F1307 " --> pdb=" O ASP F1303 " (cutoff:3.500A) Processing helix chain 'F' and resid 1319 through 1329 removed outlier: 3.745A pdb=" N CYS F1323 " --> pdb=" O ASP F1319 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N GLU F1324 " --> pdb=" O GLY F1320 " (cutoff:3.500A) removed outlier: 4.082A pdb=" N ASN F1325 " --> pdb=" O ASP F1321 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N PHE F1326 " --> pdb=" O LEU F1322 " (cutoff:3.500A) removed outlier: 4.649A pdb=" N LEU F1327 " --> pdb=" O CYS F1323 " (cutoff:3.500A) removed outlier: 4.418A pdb=" N ARG F1328 " --> pdb=" O GLU F1324 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N LEU F1329 " --> pdb=" O ASN F1325 " (cutoff:3.500A) No H-bonds generated for 'chain 'F' and resid 1319 through 1329' Processing helix chain 'F' and resid 1330 through 1340 removed outlier: 3.840A pdb=" N LYS F1339 " --> pdb=" O GLU F1335 " (cutoff:3.500A) removed outlier: 4.742A pdb=" N ASN F1340 " --> pdb=" O PHE F1336 " (cutoff:3.500A) Processing helix chain 'F' and resid 1345 through 1359 removed outlier: 4.102A pdb=" N VAL F1356 " --> pdb=" O THR F1352 " (cutoff:3.500A) removed outlier: 4.822A pdb=" N ARG F1357 " --> pdb=" O ILE F1353 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N THR F1358 " --> pdb=" O ASN F1354 " (cutoff:3.500A) Processing helix chain 'H' and resid 133 through 142 removed outlier: 3.671A pdb=" N SER H 139 " --> pdb=" O SER H 135 " (cutoff:3.500A) removed outlier: 4.171A pdb=" N GLN H 140 " --> pdb=" O GLN H 136 " (cutoff:3.500A) removed outlier: 4.325A pdb=" N VAL H 141 " --> pdb=" O LEU H 137 " (cutoff:3.500A) Proline residue: H 142 - end of helix Processing helix chain 'H' and resid 148 through 154 removed outlier: 4.068A pdb=" N CYS H 152 " --> pdb=" O GLU H 148 " (cutoff:3.500A) removed outlier: 4.871A pdb=" N ASP H 153 " --> pdb=" O TRP H 149 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N ALA H 154 " --> pdb=" O TYR H 150 " (cutoff:3.500A) No H-bonds generated for 'chain 'H' and resid 148 through 154' Processing helix chain 'H' and resid 156 through 166 removed outlier: 3.641A pdb=" N SER H 162 " --> pdb=" O GLY H 158 " (cutoff:3.500A) Processing helix chain 'H' and resid 184 through 189 removed outlier: 4.412A pdb=" N LEU H 188 " --> pdb=" O SER H 184 " (cutoff:3.500A) Processing helix chain 'H' and resid 197 through 204 removed outlier: 4.081A pdb=" N THR H 203 " --> pdb=" O ILE H 199 " (cutoff:3.500A) removed outlier: 4.343A pdb=" N ASN H 204 " --> pdb=" O ILE H 200 " (cutoff:3.500A) Processing helix chain 'H' and resid 205 through 210 removed outlier: 4.323A pdb=" N SER H 210 " --> pdb=" O GLU H 206 " (cutoff:3.500A) Processing helix chain 'H' and resid 224 through 235 removed outlier: 3.960A pdb=" N VAL H 233 " --> pdb=" O SER H 229 " (cutoff:3.500A) Proline residue: H 235 - end of helix Processing helix chain 'H' and resid 243 through 252 removed outlier: 3.779A pdb=" N PHE H 251 " --> pdb=" O LEU H 247 " (cutoff:3.500A) Processing helix chain 'H' and resid 275 through 289 removed outlier: 3.938A pdb=" N GLU H 279 " --> pdb=" O ASN H 275 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N ASN H 281 " --> pdb=" O PHE H 277 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N HIS H 288 " --> pdb=" O ARG H 284 " (cutoff:3.500A) Processing helix chain 'I' and resid 18 through 36 removed outlier: 3.527A pdb=" N PHE I 22 " --> pdb=" O SER I 18 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N LEU I 24 " --> pdb=" O SER I 20 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N GLU I 31 " --> pdb=" O ARG I 27 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N SER I 35 " --> pdb=" O GLU I 31 " (cutoff:3.500A) Processing helix chain 'I' and resid 77 through 87 Processing helix chain 'I' and resid 88 through 105 removed outlier: 3.795A pdb=" N VAL I 94 " --> pdb=" O HIS I 90 " (cutoff:3.500A) removed outlier: 4.254A pdb=" N SER I 104 " --> pdb=" O SER I 100 " (cutoff:3.500A) removed outlier: 4.620A pdb=" N SER I 105 " --> pdb=" O ILE I 101 " (cutoff:3.500A) Processing helix chain 'I' and resid 1 through 6 removed outlier: 3.711A pdb=" N GLY I 6 " --> pdb=" O TYR I 3 " (cutoff:3.500A) Processing helix chain 'J' and resid 46 through 51 removed outlier: 3.580A pdb=" N SER J 50 " --> pdb=" O CYS J 46 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N PHE J 51 " --> pdb=" O GLU J 47 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 46 through 51' Processing helix chain 'J' and resid 52 through 57 removed outlier: 4.387A pdb=" N LYS J 56 " --> pdb=" O GLY J 52 " (cutoff:3.500A) removed outlier: 4.038A pdb=" N ASN J 57 " --> pdb=" O LYS J 53 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 52 through 57' Processing helix chain 'J' and resid 73 through 80 removed outlier: 3.737A pdb=" N GLY J 80 " --> pdb=" O CYS J 76 " (cutoff:3.500A) Processing helix chain 'J' and resid 93 through 104 removed outlier: 3.584A pdb=" N LEU J 97 " --> pdb=" O GLY J 93 " (cutoff:3.500A) Processing helix chain 'K' and resid 1 through 19 removed outlier: 3.872A pdb=" N LYS K 9 " --> pdb=" O GLN K 5 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N GLN K 16 " --> pdb=" O LYS K 12 " (cutoff:3.500A) Processing helix chain 'K' and resid 27 through 46 removed outlier: 3.542A pdb=" N ARG K 33 " --> pdb=" O GLU K 29 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N ASN K 34 " --> pdb=" O GLN K 30 " (cutoff:3.500A) Processing helix chain 'K' and resid 47 through 58 removed outlier: 3.683A pdb=" N VAL K 53 " --> pdb=" O SER K 49 " (cutoff:3.500A) Processing helix chain 'K' and resid 61 through 75 removed outlier: 3.653A pdb=" N MET K 73 " --> pdb=" O LEU K 69 " (cutoff:3.500A) removed outlier: 3.946A pdb=" N SER K 74 " --> pdb=" O LEU K 70 " (cutoff:3.500A) Proline residue: K 75 - end of helix Processing helix chain 'K' and resid 76 through 84 removed outlier: 3.848A pdb=" N GLU K 84 " --> pdb=" O TYR K 80 " (cutoff:3.500A) Processing helix chain 'O' and resid 111 through 122 removed outlier: 4.064A pdb=" N LEU O 119 " --> pdb=" O TYR O 115 " (cutoff:3.500A) removed outlier: 4.843A pdb=" N SER O 120 " --> pdb=" O GLU O 116 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N GLN O 121 " --> pdb=" O LYS O 117 " (cutoff:3.500A) removed outlier: 5.224A pdb=" N ARG O 122 " --> pdb=" O LEU O 118 " (cutoff:3.500A) Processing helix chain 'P' and resid 39 through 45 removed outlier: 4.092A pdb=" N PHE P 43 " --> pdb=" O LYS P 39 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N ILE P 44 " --> pdb=" O LEU P 40 " (cutoff:3.500A) Proline residue: P 45 - end of helix No H-bonds generated for 'chain 'P' and resid 39 through 45' Processing helix chain 'P' and resid 46 through 51 removed outlier: 4.595A pdb=" N ASN P 50 " --> pdb=" O LYS P 46 " (cutoff:3.500A) removed outlier: 3.907A pdb=" N PHE P 51 " --> pdb=" O ARG P 47 " (cutoff:3.500A) No H-bonds generated for 'chain 'P' and resid 46 through 51' Processing helix chain 'P' and resid 59 through 85 removed outlier: 3.622A pdb=" N GLU P 65 " --> pdb=" O ALA P 61 " (cutoff:3.500A) removed outlier: 3.781A pdb=" N ALA P 68 " --> pdb=" O GLN P 64 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N ARG P 76 " --> pdb=" O SER P 72 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N SER P 85 " --> pdb=" O LYS P 81 " (cutoff:3.500A) Processing helix chain 'P' and resid 87 through 92 removed outlier: 4.498A pdb=" N ARG P 92 " --> pdb=" O ARG P 88 " (cutoff:3.500A) Processing helix chain 'P' and resid 158 through 164 Processing helix chain 'P' and resid 198 through 246 removed outlier: 3.613A pdb=" N MET P 202 " --> pdb=" O ASN P 198 " (cutoff:3.500A) removed outlier: 3.654A pdb=" N GLU P 206 " --> pdb=" O MET P 202 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N ARG P 220 " --> pdb=" O ARG P 216 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N LYS P 226 " --> pdb=" O LYS P 222 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N LYS P 240 " --> pdb=" O ALA P 236 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N LEU P 241 " --> pdb=" O LYS P 237 " (cutoff:3.500A) Processing helix chain 'P' and resid 304 through 310 removed outlier: 4.434A pdb=" N PHE P 308 " --> pdb=" O ASP P 304 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N ARG P 310 " --> pdb=" O ARG P 306 " (cutoff:3.500A) Processing helix chain 'P' and resid 313 through 318 removed outlier: 4.684A pdb=" N LYS P 317 " --> pdb=" O ASN P 313 " (cutoff:3.500A) removed outlier: 4.777A pdb=" N ARG P 318 " --> pdb=" O ALA P 314 " (cutoff:3.500A) No H-bonds generated for 'chain 'P' and resid 313 through 318' Processing helix chain 'P' and resid 329 through 335 removed outlier: 3.887A pdb=" N ASP P 333 " --> pdb=" O PHE P 329 " (cutoff:3.500A) removed outlier: 4.463A pdb=" N GLU P 335 " --> pdb=" O GLN P 331 " (cutoff:3.500A) Processing helix chain 'P' and resid 341 through 350 removed outlier: 3.552A pdb=" N LEU P 345 " --> pdb=" O ASN P 341 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N ASN P 350 " --> pdb=" O ASP P 346 " (cutoff:3.500A) Processing helix chain 'Q' and resid 3 through 8 Proline residue: Q 8 - end of helix Processing helix chain 'Q' and resid 13 through 18 removed outlier: 3.915A pdb=" N LEU Q 17 " --> pdb=" O CYS Q 13 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N GLY Q 18 " --> pdb=" O GLU Q 14 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 13 through 18' Processing helix chain 'Q' and resid 61 through 69 removed outlier: 3.537A pdb=" N ALA Q 65 " --> pdb=" O CYS Q 61 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ARG Q 68 " --> pdb=" O CYS Q 64 " (cutoff:3.500A) Processing helix chain 'Q' and resid 83 through 96 removed outlier: 3.534A pdb=" N ASP Q 88 " --> pdb=" O ILE Q 84 " (cutoff:3.500A) removed outlier: 4.579A pdb=" N HIS Q 89 " --> pdb=" O GLN Q 85 " (cutoff:3.500A) removed outlier: 4.565A pdb=" N ASN Q 95 " --> pdb=" O ILE Q 91 " (cutoff:3.500A) removed outlier: 3.915A pdb=" N GLU Q 96 " --> pdb=" O SER Q 92 " (cutoff:3.500A) Processing helix chain 'Q' and resid 106 through 116 removed outlier: 5.398A pdb=" N LYS Q 110 " --> pdb=" O ASN Q 106 " (cutoff:3.500A) removed outlier: 4.866A pdb=" N LEU Q 115 " --> pdb=" O ARG Q 111 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N LYS Q 116 " --> pdb=" O PHE Q 112 " (cutoff:3.500A) Processing helix chain 'Q' and resid 121 through 126 removed outlier: 4.085A pdb=" N ILE Q 125 " --> pdb=" O GLY Q 121 " (cutoff:3.500A) Processing helix chain 'Q' and resid 215 through 227 Processing helix chain 'Q' and resid 255 through 264 Processing helix chain 'R' and resid 62 through 68 removed outlier: 3.926A pdb=" N ASN R 66 " --> pdb=" O THR R 62 " (cutoff:3.500A) Processing helix chain 'R' and resid 73 through 79 Processing helix chain 'R' and resid 95 through 103 removed outlier: 3.948A pdb=" N LYS R 101 " --> pdb=" O GLU R 97 " (cutoff:3.500A) Processing helix chain 'R' and resid 142 through 147 removed outlier: 3.842A pdb=" N LEU R 146 " --> pdb=" O ILE R 142 " (cutoff:3.500A) removed outlier: 4.615A pdb=" N ASN R 147 " --> pdb=" O ASP R 143 " (cutoff:3.500A) No H-bonds generated for 'chain 'R' and resid 142 through 147' Processing helix chain 'R' and resid 152 through 168 removed outlier: 3.857A pdb=" N ILE R 156 " --> pdb=" O LYS R 152 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N ARG R 166 " --> pdb=" O PHE R 162 " (cutoff:3.500A) removed outlier: 4.307A pdb=" N LEU R 167 " --> pdb=" O VAL R 163 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N GLY R 168 " --> pdb=" O PHE R 164 " (cutoff:3.500A) Processing helix chain 'R' and resid 188 through 200 removed outlier: 3.552A pdb=" N GLU R 197 " --> pdb=" O GLU R 193 " (cutoff:3.500A) Processing helix chain 'R' and resid 211 through 216 removed outlier: 4.514A pdb=" N ARG R 216 " --> pdb=" O TRP R 212 " (cutoff:3.500A) Processing helix chain 'R' and resid 231 through 261 removed outlier: 3.656A pdb=" N VAL R 251 " --> pdb=" O LEU R 247 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N HIS R 252 " --> pdb=" O ASN R 248 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LEU R 253 " --> pdb=" O MET R 249 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N ASN R 257 " --> pdb=" O LEU R 253 " (cutoff:3.500A) Processing helix chain 'S' and resid 9 through 16 removed outlier: 4.197A pdb=" N SER S 13 " --> pdb=" O LEU S 9 " (cutoff:3.500A) removed outlier: 3.749A pdb=" N LYS S 16 " --> pdb=" O ARG S 12 " (cutoff:3.500A) Processing helix chain 'S' and resid 125 through 131 removed outlier: 3.577A pdb=" N LYS S 129 " --> pdb=" O ARG S 125 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N GLY S 130 " --> pdb=" O SER S 126 " (cutoff:3.500A) removed outlier: 4.854A pdb=" N THR S 131 " --> pdb=" O TRP S 127 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 125 through 131' Processing helix chain 'S' and resid 163 through 174 removed outlier: 3.813A pdb=" N GLN S 167 " --> pdb=" O SER S 163 " (cutoff:3.500A) removed outlier: 3.620A pdb=" N GLU S 168 " --> pdb=" O GLU S 164 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N VAL S 174 " --> pdb=" O LEU S 170 " (cutoff:3.500A) Processing helix chain 'T' and resid 15 through 36 removed outlier: 4.253A pdb=" N ILE T 19 " --> pdb=" O GLY T 15 " (cutoff:3.500A) Proline residue: T 21 - end of helix removed outlier: 4.069A pdb=" N PHE T 26 " --> pdb=" O THR T 22 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N GLN T 29 " --> pdb=" O ASP T 25 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N ASP T 32 " --> pdb=" O ILE T 28 " (cutoff:3.500A) removed outlier: 3.978A pdb=" N LYS T 35 " --> pdb=" O ARG T 31 " (cutoff:3.500A) removed outlier: 5.810A pdb=" N ASP T 36 " --> pdb=" O ASP T 32 " (cutoff:3.500A) Processing helix chain 'T' and resid 41 through 68 removed outlier: 3.953A pdb=" N ASN T 46 " --> pdb=" O ALA T 42 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N GLU T 47 " --> pdb=" O ALA T 43 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N LEU T 49 " --> pdb=" O SER T 45 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N GLU T 51 " --> pdb=" O GLU T 47 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N ILE T 52 " --> pdb=" O GLN T 48 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N GLN T 54 " --> pdb=" O TRP T 50 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N SER T 60 " --> pdb=" O HIS T 56 " (cutoff:3.500A) removed outlier: 3.593A pdb=" N TYR T 67 " --> pdb=" O ILE T 63 " (cutoff:3.500A) Processing helix chain 'T' and resid 74 through 85 removed outlier: 3.527A pdb=" N LYS T 83 " --> pdb=" O ASP T 79 " (cutoff:3.500A) Processing helix chain 'T' and resid 88 through 98 removed outlier: 3.790A pdb=" N LYS T 94 " --> pdb=" O LEU T 90 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N LYS T 97 " --> pdb=" O ALA T 93 " (cutoff:3.500A) removed outlier: 5.132A pdb=" N THR T 98 " --> pdb=" O LYS T 94 " (cutoff:3.500A) Processing helix chain 'T' and resid 105 through 110 removed outlier: 4.257A pdb=" N ILE T 109 " --> pdb=" O CYS T 105 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N GLN T 110 " --> pdb=" O LEU T 106 " (cutoff:3.500A) No H-bonds generated for 'chain 'T' and resid 105 through 110' Processing helix chain 'T' and resid 120 through 125 removed outlier: 3.884A pdb=" N VAL T 124 " --> pdb=" O CYS T 120 " (cutoff:3.500A) Proline residue: T 125 - end of helix No H-bonds generated for 'chain 'T' and resid 120 through 125' Processing helix chain 'T' and resid 126 through 137 removed outlier: 4.014A pdb=" N GLU T 131 " --> pdb=" O ALA T 127 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N LYS T 136 " --> pdb=" O GLU T 132 " (cutoff:3.500A) Processing helix chain 'U' and resid 35 through 44 removed outlier: 4.117A pdb=" N GLU U 39 " --> pdb=" O SER U 35 " (cutoff:3.500A) removed outlier: 4.155A pdb=" N SER U 42 " --> pdb=" O LEU U 38 " (cutoff:3.500A) removed outlier: 3.941A pdb=" N ASN U 44 " --> pdb=" O LEU U 40 " (cutoff:3.500A) Processing helix chain 'U' and resid 60 through 69 Processing helix chain 'U' and resid 191 through 196 removed outlier: 4.127A pdb=" N ASN U 195 " --> pdb=" O PHE U 191 " (cutoff:3.500A) removed outlier: 5.739A pdb=" N ASP U 196 " --> pdb=" O GLU U 192 " (cutoff:3.500A) No H-bonds generated for 'chain 'U' and resid 191 through 196' Processing helix chain 'V' and resid 2 through 15 removed outlier: 3.522A pdb=" N GLN V 6 " --> pdb=" O ASN V 2 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ILE V 7 " --> pdb=" O LYS V 3 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N ASP V 9 " --> pdb=" O GLN V 5 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N LYS V 10 " --> pdb=" O GLN V 6 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N GLY V 15 " --> pdb=" O GLU V 11 " (cutoff:3.500A) Processing helix chain 'V' and resid 22 through 28 removed outlier: 4.459A pdb=" N GLU V 26 " --> pdb=" O SER V 22 " (cutoff:3.500A) removed outlier: 4.823A pdb=" N TYR V 27 " --> pdb=" O TRP V 23 " (cutoff:3.500A) removed outlier: 4.224A pdb=" N LYS V 28 " --> pdb=" O HIS V 24 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 22 through 28' Processing helix chain 'V' and resid 43 through 52 removed outlier: 3.529A pdb=" N VAL V 50 " --> pdb=" O ASP V 46 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N PHE V 51 " --> pdb=" O ILE V 47 " (cutoff:3.500A) removed outlier: 5.037A pdb=" N SER V 52 " --> pdb=" O LEU V 48 " (cutoff:3.500A) Processing helix chain 'V' and resid 81 through 91 removed outlier: 4.572A pdb=" N THR V 85 " --> pdb=" O ASP V 81 " (cutoff:3.500A) removed outlier: 3.918A pdb=" N ILE V 86 " --> pdb=" O GLN V 82 " (cutoff:3.500A) Processing helix chain 'V' and resid 112 through 128 removed outlier: 3.945A pdb=" N GLN V 116 " --> pdb=" O LYS V 112 " (cutoff:3.500A) removed outlier: 5.155A pdb=" N LYS V 117 " --> pdb=" O ARG V 113 " (cutoff:3.500A) removed outlier: 6.010A pdb=" N TYR V 118 " --> pdb=" O SER V 114 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N GLU V 120 " --> pdb=" O GLN V 116 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N GLU V 125 " --> pdb=" O ALA V 121 " (cutoff:3.500A) Processing helix chain 'W' and resid 145 through 165 removed outlier: 5.743A pdb=" N GLY W 165 " --> pdb=" O ASN W 161 " (cutoff:3.500A) Processing helix chain 'W' and resid 166 through 171 Processing helix chain 'W' and resid 184 through 193 Proline residue: W 193 - end of helix Processing helix chain 'W' and resid 240 through 262 removed outlier: 3.586A pdb=" N LYS W 244 " --> pdb=" O GLY W 240 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N PHE W 246 " --> pdb=" O GLU W 242 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N LYS W 256 " --> pdb=" O ILE W 252 " (cutoff:3.500A) removed outlier: 4.204A pdb=" N VAL W 257 " --> pdb=" O ASN W 253 " (cutoff:3.500A) removed outlier: 4.292A pdb=" N TYR W 260 " --> pdb=" O LYS W 256 " (cutoff:3.500A) Processing helix chain 'Y' and resid 210 through 222 removed outlier: 4.615A pdb=" N LEU Y 222 " --> pdb=" O GLU Y 218 " (cutoff:3.500A) Processing helix chain 'Y' and resid 223 through 229 removed outlier: 4.403A pdb=" N GLN Y 227 " --> pdb=" O LEU Y 223 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N TYR Y 228 " --> pdb=" O PRO Y 224 " (cutoff:3.500A) Processing helix chain 'Y' and resid 230 through 239 Processing helix chain 'Y' and resid 253 through 264 Proline residue: Y 257 - end of helix removed outlier: 3.976A pdb=" N GLU Y 262 " --> pdb=" O GLN Y 258 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ASP Y 263 " --> pdb=" O TYR Y 259 " (cutoff:3.500A) Processing helix chain 'Y' and resid 265 through 270 removed outlier: 3.858A pdb=" N GLY Y 269 " --> pdb=" O PHE Y 265 " (cutoff:3.500A) Processing helix chain 'Y' and resid 279 through 295 removed outlier: 3.929A pdb=" N ALA Y 283 " --> pdb=" O ARG Y 279 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N THR Y 284 " --> pdb=" O ARG Y 280 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N ALA Y 288 " --> pdb=" O THR Y 284 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N ASP Y 292 " --> pdb=" O ALA Y 288 " (cutoff:3.500A) Processing helix chain 'Y' and resid 323 through 335 removed outlier: 3.840A pdb=" N LEU Y 327 " --> pdb=" O THR Y 323 " (cutoff:3.500A) Processing helix chain 'Y' and resid 352 through 366 removed outlier: 3.599A pdb=" N ASP Y 364 " --> pdb=" O GLY Y 360 " (cutoff:3.500A) Processing helix chain 'Y' and resid 382 through 391 removed outlier: 5.537A pdb=" N PHE Y 386 " --> pdb=" O ASN Y 382 " (cutoff:3.500A) removed outlier: 4.118A pdb=" N PHE Y 389 " --> pdb=" O LYS Y 385 " (cutoff:3.500A) Processing helix chain 'Y' and resid 416 through 431 removed outlier: 3.750A pdb=" N ALA Y 420 " --> pdb=" O ASN Y 416 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N THR Y 424 " --> pdb=" O ALA Y 420 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N PHE Y 426 " --> pdb=" O ILE Y 422 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N GLN Y 427 " --> pdb=" O THR Y 423 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N THR Y 430 " --> pdb=" O PHE Y 426 " (cutoff:3.500A) Processing helix chain 'Y' and resid 444 through 463 removed outlier: 3.880A pdb=" N ARG Y 450 " --> pdb=" O GLU Y 446 " (cutoff:3.500A) Processing helix chain 'Y' and resid 479 through 489 removed outlier: 4.336A pdb=" N LYS Y 485 " --> pdb=" O GLU Y 481 " (cutoff:3.500A) removed outlier: 4.870A pdb=" N ILE Y 486 " --> pdb=" O GLN Y 482 " (cutoff:3.500A) removed outlier: 4.914A pdb=" N PHE Y 487 " --> pdb=" O GLN Y 483 " (cutoff:3.500A) removed outlier: 4.257A pdb=" N GLN Y 488 " --> pdb=" O LEU Y 484 " (cutoff:3.500A) Proline residue: Y 489 - end of helix Processing helix chain 'Y' and resid 502 through 507 removed outlier: 4.194A pdb=" N THR Y 506 " --> pdb=" O ASN Y 502 " (cutoff:3.500A) Processing helix chain 'Y' and resid 542 through 555 removed outlier: 3.641A pdb=" N ALA Y 550 " --> pdb=" O VAL Y 546 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N GLY Y 551 " --> pdb=" O ASP Y 547 " (cutoff:3.500A) removed outlier: 4.218A pdb=" N ARG Y 552 " --> pdb=" O GLN Y 548 " (cutoff:3.500A) removed outlier: 5.088A pdb=" N ALA Y 553 " --> pdb=" O ARG Y 549 " (cutoff:3.500A) removed outlier: 4.803A pdb=" N GLY Y 554 " --> pdb=" O ALA Y 550 " (cutoff:3.500A) removed outlier: 4.125A pdb=" N ARG Y 555 " --> pdb=" O GLY Y 551 " (cutoff:3.500A) Processing helix chain 'Y' and resid 566 through 572 removed outlier: 3.543A pdb=" N LEU Y 571 " --> pdb=" O LYS Y 567 " (cutoff:3.500A) Processing helix chain 'Y' and resid 580 through 585 removed outlier: 3.863A pdb=" N ARG Y 584 " --> pdb=" O PRO Y 580 " (cutoff:3.500A) Processing helix chain 'Y' and resid 587 through 598 Processing helix chain 'Y' and resid 612 through 627 removed outlier: 3.623A pdb=" N LEU Y 626 " --> pdb=" O ASN Y 622 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N GLY Y 627 " --> pdb=" O LEU Y 623 " (cutoff:3.500A) Processing helix chain 'Y' and resid 636 through 646 removed outlier: 3.570A pdb=" N CYS Y 643 " --> pdb=" O GLY Y 639 " (cutoff:3.500A) removed outlier: 4.449A pdb=" N GLU Y 644 " --> pdb=" O LYS Y 640 " (cutoff:3.500A) removed outlier: 4.274A pdb=" N PHE Y 645 " --> pdb=" O MET Y 641 " (cutoff:3.500A) Proline residue: Y 646 - end of helix Processing helix chain 'Y' and resid 648 through 661 Processing helix chain 'Y' and resid 667 through 679 removed outlier: 3.829A pdb=" N SER Y 676 " --> pdb=" O LEU Y 672 " (cutoff:3.500A) Processing helix chain 'Y' and resid 690 through 698 removed outlier: 3.945A pdb=" N ALA Y 694 " --> pdb=" O ARG Y 690 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N VAL Y 696 " --> pdb=" O ALA Y 692 " (cutoff:3.500A) removed outlier: 4.302A pdb=" N LEU Y 697 " --> pdb=" O ALA Y 693 " (cutoff:3.500A) Processing helix chain 'Y' and resid 702 through 716 removed outlier: 3.586A pdb=" N GLU Y 709 " --> pdb=" O ILE Y 705 " (cutoff:3.500A) removed outlier: 3.802A pdb=" N ASN Y 716 " --> pdb=" O ASN Y 712 " (cutoff:3.500A) Processing helix chain 'Y' and resid 730 through 752 removed outlier: 3.923A pdb=" N VAL Y 751 " --> pdb=" O CYS Y 747 " (cutoff:3.500A) Processing helix chain 'Y' and resid 771 through 784 Proline residue: Y 784 - end of helix Processing helix chain 'Y' and resid 852 through 859 removed outlier: 4.101A pdb=" N ILE Y 856 " --> pdb=" O GLU Y 852 " (cutoff:3.500A) removed outlier: 3.918A pdb=" N MET Y 858 " --> pdb=" O TRP Y 854 " (cutoff:3.500A) Processing helix chain 'Z' and resid 8 through 32 Proline residue: Z 27 - end of helix Processing helix chain 'Z' and resid 36 through 48 removed outlier: 4.907A pdb=" N ASN Z 48 " --> pdb=" O LEU Z 44 " (cutoff:3.500A) Processing helix chain 'Z' and resid 52 through 66 Processing helix chain 'Z' and resid 67 through 74 removed outlier: 6.103A pdb=" N ARG Z 71 " --> pdb=" O LYS Z 67 " (cutoff:3.500A) removed outlier: 6.244A pdb=" N LEU Z 72 " --> pdb=" O GLN Z 68 " (cutoff:3.500A) removed outlier: 6.150A pdb=" N ILE Z 73 " --> pdb=" O ASN Z 69 " (cutoff:3.500A) Proline residue: Z 74 - end of helix No H-bonds generated for 'chain 'Z' and resid 67 through 74' Processing helix chain 'Z' and resid 75 through 87 Processing helix chain 'Z' and resid 88 through 109 Processing helix chain 'Z' and resid 110 through 128 Processing helix chain 'Z' and resid 131 through 146 removed outlier: 3.975A pdb=" N ILE Z 135 " --> pdb=" O HIS Z 131 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N LYS Z 145 " --> pdb=" O LEU Z 141 " (cutoff:3.500A) removed outlier: 4.110A pdb=" N ASN Z 146 " --> pdb=" O LEU Z 142 " (cutoff:3.500A) Processing helix chain 'Z' and resid 147 through 159 Processing helix chain 'Z' and resid 160 through 166 Processing helix chain 'Z' and resid 167 through 183 removed outlier: 3.645A pdb=" N LEU Z 181 " --> pdb=" O LEU Z 177 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N THR Z 183 " --> pdb=" O TYR Z 179 " (cutoff:3.500A) Processing helix chain 'Z' and resid 187 through 204 removed outlier: 3.620A pdb=" N SER Z 193 " --> pdb=" O THR Z 189 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N GLN Z 202 " --> pdb=" O PHE Z 198 " (cutoff:3.500A) Processing helix chain 'Z' and resid 216 through 221 removed outlier: 6.234A pdb=" N THR Z 221 " --> pdb=" O PRO Z 217 " (cutoff:3.500A) Processing helix chain 'Z' and resid 236 through 242 removed outlier: 4.219A pdb=" N GLY Z 240 " --> pdb=" O ASN Z 236 " (cutoff:3.500A) removed outlier: 3.913A pdb=" N ASN Z 241 " --> pdb=" O LYS Z 237 " (cutoff:3.500A) removed outlier: 5.626A pdb=" N PHE Z 242 " --> pdb=" O GLU Z 238 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 236 through 242' Processing helix chain 'Z' and resid 285 through 302 removed outlier: 3.559A pdb=" N GLU Z 290 " --> pdb=" O THR Z 286 " (cutoff:3.500A) removed outlier: 3.997A pdb=" N PHE Z 291 " --> pdb=" O ASN Z 287 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N ILE Z 295 " --> pdb=" O PHE Z 291 " (cutoff:3.500A) removed outlier: 4.676A pdb=" N SER Z 302 " --> pdb=" O VAL Z 298 " (cutoff:3.500A) Processing helix chain 'Z' and resid 304 through 316 removed outlier: 4.304A pdb=" N ALA Z 308 " --> pdb=" O SER Z 304 " (cutoff:3.500A) removed outlier: 3.845A pdb=" N LYS Z 311 " --> pdb=" O GLU Z 307 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N LEU Z 312 " --> pdb=" O ALA Z 308 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N LEU Z 313 " --> pdb=" O ALA Z 309 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LYS Z 316 " --> pdb=" O LEU Z 312 " (cutoff:3.500A) Processing helix chain 'Z' and resid 319 through 337 removed outlier: 4.007A pdb=" N LYS Z 323 " --> pdb=" O ASN Z 319 " (cutoff:3.500A) removed outlier: 4.464A pdb=" N SER Z 324 " --> pdb=" O ASN Z 320 " (cutoff:3.500A) removed outlier: 4.038A pdb=" N VAL Z 326 " --> pdb=" O LYS Z 322 " (cutoff:3.500A) removed outlier: 4.041A pdb=" N ASP Z 327 " --> pdb=" O LYS Z 323 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N ILE Z 328 " --> pdb=" O SER Z 324 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N GLU Z 336 " --> pdb=" O SER Z 332 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N SER Z 337 " --> pdb=" O SER Z 333 " (cutoff:3.500A) Processing helix chain 'Z' and resid 340 through 355 removed outlier: 4.074A pdb=" N SER Z 344 " --> pdb=" O SER Z 340 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N SER Z 347 " --> pdb=" O TYR Z 343 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N PHE Z 353 " --> pdb=" O ARG Z 349 " (cutoff:3.500A) removed outlier: 4.133A pdb=" N HIS Z 354 " --> pdb=" O MET Z 350 " (cutoff:3.500A) removed outlier: 5.149A pdb=" N ARG Z 355 " --> pdb=" O ILE Z 351 " (cutoff:3.500A) Processing helix chain 'Z' and resid 356 through 371 removed outlier: 3.537A pdb=" N ALA Z 360 " --> pdb=" O SER Z 356 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N GLU Z 366 " --> pdb=" O ASN Z 362 " (cutoff:3.500A) Processing helix chain 'Z' and resid 377 through 393 removed outlier: 4.186A pdb=" N ARG Z 382 " --> pdb=" O THR Z 378 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N ILE Z 383 " --> pdb=" O ASP Z 379 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N LYS Z 386 " --> pdb=" O ARG Z 382 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N LEU Z 391 " --> pdb=" O PHE Z 387 " (cutoff:3.500A) Processing helix chain 'Z' and resid 398 through 404 removed outlier: 4.522A pdb=" N LEU Z 402 " --> pdb=" O PRO Z 398 " (cutoff:3.500A) removed outlier: 4.277A pdb=" N LYS Z 403 " --> pdb=" O MET Z 399 " (cutoff:3.500A) removed outlier: 5.149A pdb=" N ILE Z 404 " --> pdb=" O ASP Z 400 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 398 through 404' Processing helix chain 'Z' and resid 413 through 432 removed outlier: 3.505A pdb=" N ILE Z 420 " --> pdb=" O GLY Z 416 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ASN Z 429 " --> pdb=" O GLN Z 425 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N GLU Z 430 " --> pdb=" O GLU Z 426 " (cutoff:3.500A) removed outlier: 4.091A pdb=" N LEU Z 431 " --> pdb=" O LEU Z 427 " (cutoff:3.500A) Processing helix chain 'Z' and resid 433 through 444 removed outlier: 3.689A pdb=" N GLN Z 437 " --> pdb=" O LEU Z 433 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N LEU Z 438 " --> pdb=" O ASP Z 434 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N SER Z 442 " --> pdb=" O LEU Z 438 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N LYS Z 444 " --> pdb=" O LEU Z 440 " (cutoff:3.500A) Processing helix chain 'Z' and resid 454 through 469 removed outlier: 3.740A pdb=" N GLY Z 469 " --> pdb=" O PHE Z 465 " (cutoff:3.500A) Processing helix chain 'Z' and resid 473 through 485 removed outlier: 4.627A pdb=" N MET Z 477 " --> pdb=" O LEU Z 473 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N SER Z 479 " --> pdb=" O GLU Z 475 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N ARG Z 480 " --> pdb=" O ASP Z 476 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N LEU Z 481 " --> pdb=" O MET Z 477 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N THR Z 482 " --> pdb=" O ARG Z 478 " (cutoff:3.500A) Processing helix chain 'a' and resid 144 through 150 Processing helix chain 'a' and resid 219 through 230 removed outlier: 3.676A pdb=" N ALA a 224 " --> pdb=" O GLY a 220 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N LYS a 228 " --> pdb=" O ALA a 224 " (cutoff:3.500A) removed outlier: 4.064A pdb=" N LYS a 229 " --> pdb=" O LYS a 225 " (cutoff:3.500A) Processing helix chain 'a' and resid 247 through 255 removed outlier: 4.156A pdb=" N GLN a 251 " --> pdb=" O ALA a 247 " (cutoff:3.500A) Processing helix chain 'b' and resid 27 through 32 removed outlier: 4.231A pdb=" N CYS b 31 " --> pdb=" O TRP b 27 " (cutoff:3.500A) Proline residue: b 32 - end of helix No H-bonds generated for 'chain 'b' and resid 27 through 32' Processing helix chain 'b' and resid 33 through 45 removed outlier: 3.887A pdb=" N SER b 40 " --> pdb=" O LYS b 36 " (cutoff:3.500A) Processing helix chain 'b' and resid 107 through 112 removed outlier: 4.568A pdb=" N LEU b 111 " --> pdb=" O SER b 107 " (cutoff:3.500A) removed outlier: 5.367A pdb=" N ASN b 112 " --> pdb=" O LYS b 108 " (cutoff:3.500A) No H-bonds generated for 'chain 'b' and resid 107 through 112' Processing helix chain 'b' and resid 121 through 131 removed outlier: 5.216A pdb=" N TYR b 126 " --> pdb=" O GLY b 122 " (cutoff:3.500A) removed outlier: 5.280A pdb=" N ILE b 127 " --> pdb=" O LYS b 123 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N PHE b 128 " --> pdb=" O SER b 124 " (cutoff:3.500A) removed outlier: 4.654A pdb=" N ILE b 131 " --> pdb=" O ILE b 127 " (cutoff:3.500A) Processing helix chain 'b' and resid 164 through 169 removed outlier: 4.698A pdb=" N PHE b 168 " --> pdb=" O PHE b 164 " (cutoff:3.500A) removed outlier: 5.238A pdb=" N GLY b 169 " --> pdb=" O GLU b 165 " (cutoff:3.500A) No H-bonds generated for 'chain 'b' and resid 164 through 169' Processing helix chain 'c' and resid 14 through 29 removed outlier: 3.717A pdb=" N LEU c 21 " --> pdb=" O GLU c 17 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N ALA c 23 " --> pdb=" O GLN c 19 " (cutoff:3.500A) Processing helix chain 'c' and resid 32 through 41 removed outlier: 3.714A pdb=" N VAL c 36 " --> pdb=" O GLN c 32 " (cutoff:3.500A) removed outlier: 3.873A pdb=" N SER c 38 " --> pdb=" O SER c 34 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N LEU c 39 " --> pdb=" O LYS c 35 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU c 40 " --> pdb=" O VAL c 36 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N GLN c 41 " --> pdb=" O ALA c 37 " (cutoff:3.500A) Processing helix chain 'c' and resid 44 through 55 Processing helix chain 'c' and resid 66 through 81 removed outlier: 3.754A pdb=" N ASP c 70 " --> pdb=" O SER c 66 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N ALA c 71 " --> pdb=" O LYS c 67 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N ARG c 78 " --> pdb=" O LEU c 74 " (cutoff:3.500A) Proline residue: c 81 - end of helix Processing helix chain 'c' and resid 83 through 92 Processing helix chain 'c' and resid 94 through 111 removed outlier: 3.816A pdb=" N TYR c 102 " --> pdb=" O CYS c 98 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ARG c 104 " --> pdb=" O GLU c 100 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N GLU c 107 " --> pdb=" O ASN c 103 " (cutoff:3.500A) removed outlier: 4.218A pdb=" N GLU c 109 " --> pdb=" O LEU c 105 " (cutoff:3.500A) removed outlier: 4.752A pdb=" N ASP c 110 " --> pdb=" O LEU c 106 " (cutoff:3.500A) removed outlier: 6.130A pdb=" N SER c 111 " --> pdb=" O GLU c 107 " (cutoff:3.500A) Processing helix chain 'c' and resid 166 through 195 Processing helix chain 'c' and resid 212 through 217 removed outlier: 4.094A pdb=" N ASP c 216 " --> pdb=" O ASP c 212 " (cutoff:3.500A) removed outlier: 5.054A pdb=" N ILE c 217 " --> pdb=" O TYR c 213 " (cutoff:3.500A) No H-bonds generated for 'chain 'c' and resid 212 through 217' Processing helix chain 'c' and resid 230 through 251 removed outlier: 5.686A pdb=" N ASP c 234 " --> pdb=" O THR c 230 " (cutoff:3.500A) removed outlier: 4.471A pdb=" N ARG c 235 " --> pdb=" O SER c 231 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N ARG c 250 " --> pdb=" O ARG c 246 " (cutoff:3.500A) Processing helix chain 'c' and resid 482 through 513 removed outlier: 4.058A pdb=" N GLN c 486 " --> pdb=" O GLU c 482 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N HIS c 487 " --> pdb=" O SER c 483 " (cutoff:3.500A) Proline residue: c 504 - end of helix Processing helix chain 'c' and resid 514 through 587 removed outlier: 3.702A pdb=" N LYS c 526 " --> pdb=" O GLN c 522 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N LEU c 527 " --> pdb=" O LEU c 523 " (cutoff:3.500A) Proline residue: c 532 - end of helix removed outlier: 3.687A pdb=" N GLN c 536 " --> pdb=" O PRO c 532 " (cutoff:3.500A) Proline residue: c 550 - end of helix removed outlier: 3.965A pdb=" N ILE c 553 " --> pdb=" O LEU c 549 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N GLU c 554 " --> pdb=" O PRO c 550 " (cutoff:3.500A) removed outlier: 4.383A pdb=" N GLN c 556 " --> pdb=" O LEU c 552 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N ARG c 557 " --> pdb=" O ILE c 553 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N SER c 572 " --> pdb=" O GLN c 568 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N ARG c 577 " --> pdb=" O LEU c 573 " (cutoff:3.500A) removed outlier: 4.491A pdb=" N LYS c 578 " --> pdb=" O GLU c 574 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ARG c 579 " --> pdb=" O GLY c 575 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU c 580 " --> pdb=" O ARG c 576 " (cutoff:3.500A) removed outlier: 4.086A pdb=" N LEU c 584 " --> pdb=" O LEU c 580 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N ASN c 585 " --> pdb=" O GLN c 581 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N SER c 586 " --> pdb=" O ALA c 582 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N SER c 587 " --> pdb=" O MET c 583 " (cutoff:3.500A) Processing helix chain 'G' and resid 26 through 45 removed outlier: 3.759A pdb=" N ARG G 30 " --> pdb=" O PRO G 26 " (cutoff:3.500A) removed outlier: 4.107A pdb=" N GLU G 31 " --> pdb=" O GLN G 27 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ASN G 32 " --> pdb=" O ASP G 28 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N GLU G 36 " --> pdb=" O ASN G 32 " (cutoff:3.500A) removed outlier: 4.095A pdb=" N ALA G 38 " --> pdb=" O GLN G 34 " (cutoff:3.500A) removed outlier: 4.330A pdb=" N ASN G 43 " --> pdb=" O ARG G 39 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLU G 44 " --> pdb=" O ILE G 40 " (cutoff:3.500A) removed outlier: 4.240A pdb=" N LYS G 45 " --> pdb=" O GLY G 41 " (cutoff:3.500A) Processing helix chain 'G' and resid 46 through 57 removed outlier: 3.646A pdb=" N ARG G 55 " --> pdb=" O LYS G 51 " (cutoff:3.500A) removed outlier: 4.639A pdb=" N THR G 56 " --> pdb=" O MET G 52 " (cutoff:3.500A) removed outlier: 4.548A pdb=" N VAL G 57 " --> pdb=" O GLU G 53 " (cutoff:3.500A) Processing helix chain 'G' and resid 62 through 72 removed outlier: 3.618A pdb=" N LYS G 66 " --> pdb=" O ASP G 62 " (cutoff:3.500A) removed outlier: 4.439A pdb=" N ARG G 67 " --> pdb=" O SER G 63 " (cutoff:3.500A) removed outlier: 5.330A pdb=" N ARG G 68 " --> pdb=" O TYR G 64 " (cutoff:3.500A) removed outlier: 5.667A pdb=" N PHE G 69 " --> pdb=" O HIS G 65 " (cutoff:3.500A) removed outlier: 4.469A pdb=" N ASP G 70 " --> pdb=" O LYS G 66 " (cutoff:3.500A) removed outlier: 5.508A pdb=" N LYS G 72 " --> pdb=" O ARG G 68 " (cutoff:3.500A) Processing helix chain 'G' and resid 156 through 175 removed outlier: 3.951A pdb=" N LYS G 161 " --> pdb=" O ASN G 157 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N LYS G 162 " --> pdb=" O LYS G 158 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N SER G 167 " --> pdb=" O GLU G 163 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N LYS G 174 " --> pdb=" O LEU G 170 " (cutoff:3.500A) Processing helix chain 'G' and resid 177 through 196 removed outlier: 3.864A pdb=" N THR G 183 " --> pdb=" O ALA G 179 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N ARG G 186 " --> pdb=" O ARG G 182 " (cutoff:3.500A) removed outlier: 5.784A pdb=" N VAL G 193 " --> pdb=" O THR G 189 " (cutoff:3.500A) removed outlier: 5.474A pdb=" N THR G 194 " --> pdb=" O ASP G 190 " (cutoff:3.500A) removed outlier: 5.202A pdb=" N GLY G 196 " --> pdb=" O ALA G 192 " (cutoff:3.500A) Processing helix chain 'G' and resid 197 through 210 Proline residue: G 206 - end of helix removed outlier: 3.873A pdb=" N LEU G 209 " --> pdb=" O LEU G 205 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N ASP G 210 " --> pdb=" O PRO G 206 " (cutoff:3.500A) Processing helix chain 'G' and resid 214 through 233 removed outlier: 3.683A pdb=" N LEU G 220 " --> pdb=" O GLN G 216 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N MET G 221 " --> pdb=" O GLU G 217 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N THR G 224 " --> pdb=" O LEU G 220 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N GLN G 231 " --> pdb=" O ARG G 227 " (cutoff:3.500A) removed outlier: 4.171A pdb=" N GLY G 233 " --> pdb=" O LEU G 229 " (cutoff:3.500A) Processing helix chain 'G' and resid 236 through 254 Proline residue: G 249 - end of helix removed outlier: 4.339A pdb=" N ILE G 252 " --> pdb=" O ALA G 248 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ASP G 253 " --> pdb=" O PRO G 249 " (cutoff:3.500A) removed outlier: 5.680A pdb=" N GLU G 254 " --> pdb=" O LEU G 250 " (cutoff:3.500A) Processing helix chain 'G' and resid 255 through 274 removed outlier: 3.752A pdb=" N ILE G 265 " --> pdb=" O THR G 261 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N ILE G 266 " --> pdb=" O GLY G 262 " (cutoff:3.500A) removed outlier: 4.068A pdb=" N THR G 271 " --> pdb=" O THR G 267 " (cutoff:3.500A) Processing helix chain 'G' and resid 275 through 286 removed outlier: 3.575A pdb=" N LEU G 279 " --> pdb=" O LEU G 275 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N THR G 280 " --> pdb=" O LYS G 276 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N ARG G 283 " --> pdb=" O LEU G 279 " (cutoff:3.500A) Proline residue: G 284 - end of helix Processing helix chain 'G' and resid 290 through 309 removed outlier: 3.926A pdb=" N ARG G 299 " --> pdb=" O ASN G 295 " (cutoff:3.500A) Processing helix chain 'G' and resid 310 through 323 Proline residue: G 315 - end of helix Processing helix chain 'G' and resid 326 through 345 removed outlier: 3.790A pdb=" N ARG G 330 " --> pdb=" O SER G 326 " (cutoff:3.500A) removed outlier: 4.095A pdb=" N VAL G 337 " --> pdb=" O GLY G 333 " (cutoff:3.500A) removed outlier: 3.581A pdb=" N GLN G 338 " --> pdb=" O ILE G 334 " (cutoff:3.500A) Processing helix chain 'G' and resid 353 through 363 removed outlier: 3.567A pdb=" N SER G 357 " --> pdb=" O THR G 353 " (cutoff:3.500A) removed outlier: 4.250A pdb=" N CYS G 358 " --> pdb=" O GLY G 354 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N LYS G 360 " --> pdb=" O MET G 356 " (cutoff:3.500A) removed outlier: 4.061A pdb=" N ASP G 361 " --> pdb=" O SER G 357 " (cutoff:3.500A) Processing helix chain 'G' and resid 367 through 386 removed outlier: 3.532A pdb=" N VAL G 373 " --> pdb=" O PRO G 369 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N ALA G 375 " --> pdb=" O ARG G 371 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N SER G 379 " --> pdb=" O ALA G 375 " (cutoff:3.500A) Processing helix chain 'G' and resid 389 through 407 removed outlier: 4.278A pdb=" N PHE G 393 " --> pdb=" O GLY G 389 " (cutoff:3.500A) removed outlier: 5.404A pdb=" N VAL G 395 " --> pdb=" O GLU G 391 " (cutoff:3.500A) removed outlier: 4.941A pdb=" N VAL G 396 " --> pdb=" O VAL G 392 " (cutoff:3.500A) removed outlier: 4.240A pdb=" N GLU G 398 " --> pdb=" O ASN G 394 " (cutoff:3.500A) Proline residue: G 399 - end of helix removed outlier: 3.702A pdb=" N LYS G 402 " --> pdb=" O GLU G 398 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N SER G 406 " --> pdb=" O LYS G 402 " (cutoff:3.500A) Processing helix chain 'G' and resid 409 through 426 removed outlier: 3.985A pdb=" N SER G 413 " --> pdb=" O GLY G 409 " (cutoff:3.500A) Proline residue: G 424 - end of helix Processing helix chain 'G' and resid 428 through 446 removed outlier: 3.605A pdb=" N GLY G 432 " --> pdb=" O PRO G 428 " (cutoff:3.500A) removed outlier: 3.976A pdb=" N TYR G 433 " --> pdb=" O GLU G 429 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR G 436 " --> pdb=" O GLY G 432 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N ARG G 440 " --> pdb=" O THR G 436 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N ILE G 441 " --> pdb=" O GLU G 437 " (cutoff:3.500A) Processing helix chain 'G' and resid 450 through 468 removed outlier: 3.653A pdb=" N LYS G 454 " --> pdb=" O ASP G 450 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N LEU G 459 " --> pdb=" O LYS G 455 " (cutoff:3.500A) removed outlier: 4.857A pdb=" N ALA G 466 " --> pdb=" O GLN G 462 " (cutoff:3.500A) removed outlier: 4.285A pdb=" N VAL G 467 " --> pdb=" O LYS G 463 " (cutoff:3.500A) removed outlier: 6.127A pdb=" N GLU G 468 " --> pdb=" O CYS G 464 " (cutoff:3.500A) Processing helix chain 'G' and resid 471 through 478 Processing helix chain 'G' and resid 479 through 487 removed outlier: 3.737A pdb=" N GLN G 485 " --> pdb=" O PRO G 481 " (cutoff:3.500A) removed outlier: 4.142A pdb=" N LYS G 486 " --> pdb=" O GLU G 482 " (cutoff:3.500A) Processing helix chain 'G' and resid 489 through 496 removed outlier: 3.782A pdb=" N ALA G 493 " --> pdb=" O VAL G 489 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N LEU G 494 " --> pdb=" O ARG G 490 " (cutoff:3.500A) removed outlier: 4.536A pdb=" N ASP G 495 " --> pdb=" O ARG G 491 " (cutoff:3.500A) removed outlier: 5.383A pdb=" N ARG G 496 " --> pdb=" O VAL G 492 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 489 through 496' Processing helix chain 'G' and resid 497 through 513 removed outlier: 4.258A pdb=" N VAL G 501 " --> pdb=" O PRO G 497 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N LYS G 511 " --> pdb=" O VAL G 507 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N LYS G 512 " --> pdb=" O THR G 508 " (cutoff:3.500A) Processing helix chain 'G' and resid 514 through 526 removed outlier: 3.662A pdb=" N LEU G 523 " --> pdb=" O ILE G 519 " (cutoff:3.500A) removed outlier: 4.986A pdb=" N THR G 524 " --> pdb=" O ASP G 520 " (cutoff:3.500A) Proline residue: G 525 - end of helix Processing helix chain 'G' and resid 530 through 549 removed outlier: 3.722A pdb=" N VAL G 541 " --> pdb=" O ALA G 537 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU G 547 " --> pdb=" O ARG G 543 " (cutoff:3.500A) Processing helix chain 'G' and resid 554 through 572 removed outlier: 3.734A pdb=" N ILE G 562 " --> pdb=" O GLU G 558 " (cutoff:3.500A) removed outlier: 4.179A pdb=" N GLN G 572 " --> pdb=" O ALA G 568 " (cutoff:3.500A) Processing helix chain 'G' and resid 577 through 591 removed outlier: 3.840A pdb=" N THR G 587 " --> pdb=" O PHE G 583 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N VAL G 588 " --> pdb=" O GLY G 584 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N SER G 589 " --> pdb=" O ALA G 585 " (cutoff:3.500A) Processing helix chain 'G' and resid 595 through 612 removed outlier: 4.078A pdb=" N ALA G 599 " --> pdb=" O LYS G 595 " (cutoff:3.500A) Proline residue: G 600 - end of helix removed outlier: 4.182A pdb=" N LYS G 610 " --> pdb=" O LEU G 606 " (cutoff:3.500A) removed outlier: 4.210A pdb=" N HIS G 611 " --> pdb=" O ASN G 607 " (cutoff:3.500A) removed outlier: 5.950A pdb=" N LYS G 612 " --> pdb=" O HIS G 608 " (cutoff:3.500A) Processing helix chain 'G' and resid 613 through 631 removed outlier: 3.651A pdb=" N ARG G 617 " --> pdb=" O THR G 613 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N CYS G 624 " --> pdb=" O ALA G 620 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N ALA G 625 " --> pdb=" O ALA G 621 " (cutoff:3.500A) removed outlier: 3.955A pdb=" N ILE G 626 " --> pdb=" O ASP G 622 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N LEU G 627 " --> pdb=" O LEU G 623 " (cutoff:3.500A) Proline residue: G 629 - end of helix Processing helix chain 'G' and resid 636 through 652 removed outlier: 3.624A pdb=" N LEU G 640 " --> pdb=" O GLU G 636 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N ASN G 641 " --> pdb=" O PHE G 637 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LYS G 642 " --> pdb=" O GLU G 638 " (cutoff:3.500A) removed outlier: 3.748A pdb=" N LEU G 643 " --> pdb=" O MET G 639 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N SER G 650 " --> pdb=" O ILE G 646 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N LEU G 651 " --> pdb=" O LEU G 647 " (cutoff:3.500A) removed outlier: 4.923A pdb=" N GLY G 652 " --> pdb=" O TYR G 648 " (cutoff:3.500A) Processing helix chain 'G' and resid 655 through 673 removed outlier: 3.824A pdb=" N SER G 661 " --> pdb=" O GLU G 657 " (cutoff:3.500A) Processing helix chain 'G' and resid 681 through 694 Proline residue: G 687 - end of helix Proline residue: G 691 - end of helix removed outlier: 4.295A pdb=" N ARG G 694 " --> pdb=" O THR G 690 " (cutoff:3.500A) Processing helix chain 'G' and resid 697 through 715 removed outlier: 5.295A pdb=" N GLU G 701 " --> pdb=" O HIS G 697 " (cutoff:3.500A) Processing helix chain 'G' and resid 720 through 736 removed outlier: 3.516A pdb=" N LEU G 734 " --> pdb=" O GLU G 730 " (cutoff:3.500A) removed outlier: 5.279A pdb=" N LYS G 736 " --> pdb=" O LEU G 732 " (cutoff:3.500A) Processing helix chain 'G' and resid 739 through 757 removed outlier: 4.025A pdb=" N ARG G 743 " --> pdb=" O ASN G 739 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N PHE G 750 " --> pdb=" O ALA G 746 " (cutoff:3.500A) removed outlier: 3.961A pdb=" N GLY G 751 " --> pdb=" O ASN G 747 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N PHE G 752 " --> pdb=" O ALA G 748 " (cutoff:3.500A) Processing helix chain 'G' and resid 758 through 772 removed outlier: 3.826A pdb=" N VAL G 762 " --> pdb=" O GLY G 758 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N VAL G 764 " --> pdb=" O HIS G 760 " (cutoff:3.500A) removed outlier: 4.016A pdb=" N ALA G 765 " --> pdb=" O ASP G 761 " (cutoff:3.500A) removed outlier: 3.906A pdb=" N ASN G 769 " --> pdb=" O ALA G 765 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU G 770 " --> pdb=" O LEU G 766 " (cutoff:3.500A) removed outlier: 4.531A pdb=" N LYS G 771 " --> pdb=" O LEU G 767 " (cutoff:3.500A) removed outlier: 5.033A pdb=" N VAL G 772 " --> pdb=" O ASN G 768 " (cutoff:3.500A) Processing helix chain 'G' and resid 774 through 793 removed outlier: 3.520A pdb=" N ARG G 778 " --> pdb=" O GLU G 774 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N ALA G 784 " --> pdb=" O CYS G 780 " (cutoff:3.500A) Processing helix chain 'G' and resid 794 through 807 Proline residue: G 799 - end of helix removed outlier: 4.233A pdb=" N THR G 806 " --> pdb=" O MET G 802 " (cutoff:3.500A) removed outlier: 4.383A pdb=" N THR G 807 " --> pdb=" O ASN G 803 " (cutoff:3.500A) Processing helix chain 'G' and resid 809 through 828 removed outlier: 3.581A pdb=" N GLN G 813 " --> pdb=" O GLU G 809 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N MET G 820 " --> pdb=" O VAL G 816 " (cutoff:3.500A) removed outlier: 4.669A pdb=" N GLY G 828 " --> pdb=" O PHE G 824 " (cutoff:3.500A) Processing helix chain 'G' and resid 830 through 836 removed outlier: 5.508A pdb=" N TYR G 834 " --> pdb=" O MET G 830 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N ILE G 835 " --> pdb=" O SER G 831 " (cutoff:3.500A) removed outlier: 5.694A pdb=" N TYR G 836 " --> pdb=" O LYS G 832 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 830 through 836' Processing helix chain 'G' and resid 837 through 847 removed outlier: 4.285A pdb=" N LEU G 841 " --> pdb=" O PHE G 837 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N ASP G 844 " --> pdb=" O PRO G 840 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N ALA G 845 " --> pdb=" O LEU G 841 " (cutoff:3.500A) Processing helix chain 'G' and resid 850 through 869 removed outlier: 4.010A pdb=" N ARG G 854 " --> pdb=" O ASP G 850 " (cutoff:3.500A) removed outlier: 3.954A pdb=" N SER G 858 " --> pdb=" O ARG G 854 " (cutoff:3.500A) removed outlier: 4.191A pdb=" N HIS G 863 " --> pdb=" O ASN G 859 " (cutoff:3.500A) removed outlier: 3.982A pdb=" N ASN G 867 " --> pdb=" O HIS G 863 " (cutoff:3.500A) Processing helix chain 'G' and resid 873 through 889 removed outlier: 5.856A pdb=" N PHE G 877 " --> pdb=" O HIS G 873 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N ILE G 878 " --> pdb=" O GLU G 874 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N HIS G 879 " --> pdb=" O ASP G 875 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N LEU G 884 " --> pdb=" O LEU G 880 " (cutoff:3.500A) Proline residue: G 886 - end of helix removed outlier: 4.814A pdb=" N PHE G 889 " --> pdb=" O ILE G 885 " (cutoff:3.500A) Processing helix chain 'G' and resid 892 through 911 removed outlier: 3.742A pdb=" N ARG G 898 " --> pdb=" O HIS G 894 " (cutoff:3.500A) removed outlier: 4.142A pdb=" N GLN G 908 " --> pdb=" O GLU G 904 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N ALA G 909 " --> pdb=" O ALA G 905 " (cutoff:3.500A) Processing helix chain 'G' and resid 912 through 925 removed outlier: 4.850A pdb=" N TYR G 918 " --> pdb=" O LEU G 914 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N ILE G 919 " --> pdb=" O PHE G 915 " (cutoff:3.500A) removed outlier: 4.885A pdb=" N ALA G 921 " --> pdb=" O ASN G 917 " (cutoff:3.500A) removed outlier: 5.102A pdb=" N GLY G 922 " --> pdb=" O TYR G 918 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N LEU G 923 " --> pdb=" O ILE G 919 " (cutoff:3.500A) removed outlier: 4.446A pdb=" N PHE G 924 " --> pdb=" O TRP G 920 " (cutoff:3.500A) removed outlier: 4.322A pdb=" N HIS G 925 " --> pdb=" O ALA G 921 " (cutoff:3.500A) Processing helix chain 'G' and resid 927 through 945 removed outlier: 5.211A pdb=" N ARG G 931 " --> pdb=" O ALA G 927 " (cutoff:3.500A) removed outlier: 3.796A pdb=" N LYS G 932 " --> pdb=" O LYS G 928 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N ARG G 936 " --> pdb=" O LYS G 932 " (cutoff:3.500A) removed outlier: 3.825A pdb=" N VAL G 937 " --> pdb=" O ALA G 933 " (cutoff:3.500A) Processing helix chain 'G' and resid 946 through 951 removed outlier: 4.158A pdb=" N VAL G 950 " --> pdb=" O GLN G 946 " (cutoff:3.500A) Proline residue: G 951 - end of helix No H-bonds generated for 'chain 'G' and resid 946 through 951' Processing helix chain 'G' and resid 956 through 961 removed outlier: 4.952A pdb=" N GLU G 961 " --> pdb=" O PRO G 957 " (cutoff:3.500A) Processing helix chain 'G' and resid 964 through 970 removed outlier: 4.562A pdb=" N ASP G 968 " --> pdb=" O ILE G 964 " (cutoff:3.500A) removed outlier: 4.236A pdb=" N LEU G 969 " --> pdb=" O GLU G 965 " (cutoff:3.500A) removed outlier: 6.587A pdb=" N VAL G 970 " --> pdb=" O GLU G 966 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 964 through 970' Processing helix chain 'G' and resid 346 through 351 removed outlier: 3.818A pdb=" N LEU G 349 " --> pdb=" O ILE G 346 " (cutoff:3.500A) removed outlier: 4.447A pdb=" N ASN G 350 " --> pdb=" O GLY G 347 " (cutoff:3.500A) Processing helix chain 'd' and resid 40 through 62 removed outlier: 4.417A pdb=" N TYR d 46 " --> pdb=" O GLU d 42 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N GLU d 55 " --> pdb=" O ARG d 51 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N ARG d 62 " --> pdb=" O LEU d 58 " (cutoff:3.500A) Processing helix chain 'd' and resid 64 through 79 removed outlier: 3.902A pdb=" N TRP d 68 " --> pdb=" O ASP d 64 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N ARG d 70 " --> pdb=" O GLY d 66 " (cutoff:3.500A) removed outlier: 3.604A pdb=" N ILE d 76 " --> pdb=" O ALA d 72 " (cutoff:3.500A) removed outlier: 4.004A pdb=" N HIS d 79 " --> pdb=" O GLU d 75 " (cutoff:3.500A) Processing helix chain 'd' and resid 80 through 96 removed outlier: 3.764A pdb=" N ALA d 84 " --> pdb=" O ASP d 80 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N LEU d 93 " --> pdb=" O GLU d 89 " (cutoff:3.500A) removed outlier: 4.064A pdb=" N VAL d 94 " --> pdb=" O ARG d 90 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ASP d 95 " --> pdb=" O ALA d 91 " (cutoff:3.500A) Processing helix chain 'd' and resid 98 through 113 removed outlier: 4.028A pdb=" N GLU d 109 " --> pdb=" O TYR d 105 " (cutoff:3.500A) removed outlier: 4.106A pdb=" N VAL d 112 " --> pdb=" O ALA d 108 " (cutoff:3.500A) Processing helix chain 'd' and resid 114 through 130 removed outlier: 3.524A pdb=" N ALA d 118 " --> pdb=" O CYS d 114 " (cutoff:3.500A) removed outlier: 3.669A pdb=" N MET d 122 " --> pdb=" O ALA d 118 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N SER d 127 " --> pdb=" O ASN d 123 " (cutoff:3.500A) Proline residue: d 130 - end of helix Processing helix chain 'd' and resid 132 through 147 removed outlier: 4.756A pdb=" N TRP d 136 " --> pdb=" O VAL d 132 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N SER d 145 " --> pdb=" O ILE d 141 " (cutoff:3.500A) Processing helix chain 'd' and resid 148 through 163 removed outlier: 4.159A pdb=" N VAL d 152 " --> pdb=" O ASN d 148 " (cutoff:3.500A) removed outlier: 4.214A pdb=" N GLU d 163 " --> pdb=" O TRP d 159 " (cutoff:3.500A) Processing helix chain 'd' and resid 165 through 180 removed outlier: 3.767A pdb=" N SER d 171 " --> pdb=" O ASN d 167 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N PHE d 172 " --> pdb=" O ALA d 168 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N GLU d 176 " --> pdb=" O PHE d 172 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N ILE d 177 " --> pdb=" O VAL d 173 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N ARG d 178 " --> pdb=" O ASP d 174 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N LYS d 180 " --> pdb=" O GLU d 176 " (cutoff:3.500A) Processing helix chain 'd' and resid 181 through 197 removed outlier: 3.774A pdb=" N ARG d 186 " --> pdb=" O TRP d 182 " (cutoff:3.500A) removed outlier: 3.908A pdb=" N GLU d 187 " --> pdb=" O ASN d 183 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N MET d 194 " --> pdb=" O SER d 190 " (cutoff:3.500A) Proline residue: d 197 - end of helix Processing helix chain 'd' and resid 198 through 213 removed outlier: 3.550A pdb=" N TRP d 202 " --> pdb=" O GLN d 198 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N LYS d 204 " --> pdb=" O GLN d 200 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N ASN d 210 " --> pdb=" O VAL d 206 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N ARG d 211 " --> pdb=" O ARG d 207 " (cutoff:3.500A) removed outlier: 4.178A pdb=" N GLY d 213 " --> pdb=" O GLU d 209 " (cutoff:3.500A) Processing helix chain 'd' and resid 214 through 237 removed outlier: 3.631A pdb=" N THR d 218 " --> pdb=" O ASN d 214 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N VAL d 221 " --> pdb=" O PHE d 217 " (cutoff:3.500A) removed outlier: 3.895A pdb=" N TYR d 222 " --> pdb=" O THR d 218 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N SER d 223 " --> pdb=" O ARG d 219 " (cutoff:3.500A) removed outlier: 4.417A pdb=" N ILE d 237 " --> pdb=" O GLN d 233 " (cutoff:3.500A) Processing helix chain 'd' and resid 243 through 258 removed outlier: 3.569A pdb=" N SER d 249 " --> pdb=" O LYS d 245 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N TRP d 253 " --> pdb=" O SER d 249 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N GLU d 254 " --> pdb=" O PHE d 250 " (cutoff:3.500A) Processing helix chain 'd' and resid 259 through 274 removed outlier: 3.822A pdb=" N SER d 263 " --> pdb=" O GLU d 259 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N LEU d 266 " --> pdb=" O ARG d 262 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LYS d 273 " --> pdb=" O ILE d 269 " (cutoff:3.500A) Processing helix chain 'v' and resid 569 through 580 removed outlier: 4.297A pdb=" N ALA v 573 " --> pdb=" O LYS v 569 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N VAL v 577 " --> pdb=" O ALA v 573 " (cutoff:3.500A) removed outlier: 3.722A pdb=" N ILE v 578 " --> pdb=" O TYR v 574 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N LEU v 580 " --> pdb=" O THR v 576 " (cutoff:3.500A) Processing helix chain 'v' and resid 584 through 599 Processing helix chain 'v' and resid 600 through 616 removed outlier: 4.484A pdb=" N SER v 604 " --> pdb=" O GLU v 600 " (cutoff:3.500A) Proline residue: v 613 - end of helix Proline residue: v 616 - end of helix Processing helix chain 'v' and resid 618 through 636 removed outlier: 3.836A pdb=" N GLU v 622 " --> pdb=" O GLU v 618 " (cutoff:3.500A) removed outlier: 4.599A pdb=" N GLU v 626 " --> pdb=" O GLU v 622 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N GLN v 635 " --> pdb=" O ALA v 631 " (cutoff:3.500A) Processing helix chain 'v' and resid 640 through 653 removed outlier: 4.123A pdb=" N ILE v 644 " --> pdb=" O SER v 640 " (cutoff:3.500A) removed outlier: 4.227A pdb=" N LYS v 653 " --> pdb=" O GLU v 649 " (cutoff:3.500A) Processing helix chain 'v' and resid 663 through 675 removed outlier: 3.682A pdb=" N ILE v 667 " --> pdb=" O LYS v 663 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N ARG v 675 " --> pdb=" O VAL v 671 " (cutoff:3.500A) Processing helix chain 'v' and resid 679 through 689 removed outlier: 3.526A pdb=" N SER v 683 " --> pdb=" O LEU v 679 " (cutoff:3.500A) Processing helix chain 'v' and resid 706 through 721 Processing helix chain 'v' and resid 722 through 733 removed outlier: 4.000A pdb=" N ARG v 726 " --> pdb=" O PRO v 722 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N GLU v 727 " --> pdb=" O SER v 723 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N GLN v 730 " --> pdb=" O ARG v 726 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N GLU v 731 " --> pdb=" O GLU v 727 " (cutoff:3.500A) Processing helix chain 'e' and resid 21 through 30 Processing helix chain 'e' and resid 59 through 70 removed outlier: 3.541A pdb=" N TYR e 65 " --> pdb=" O GLY e 61 " (cutoff:3.500A) Processing helix chain 'e' and resid 120 through 129 Processing helix chain 'e' and resid 157 through 168 removed outlier: 4.621A pdb=" N LYS e 166 " --> pdb=" O ASP e 162 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N SER e 167 " --> pdb=" O LEU e 163 " (cutoff:3.500A) Processing helix chain 'f' and resid 96 through 123 removed outlier: 3.623A pdb=" N ALA f 101 " --> pdb=" O TYR f 97 " (cutoff:3.500A) Processing helix chain 'f' and resid 157 through 190 removed outlier: 4.108A pdb=" N VAL f 161 " --> pdb=" O ASP f 157 " (cutoff:3.500A) removed outlier: 5.937A pdb=" N LYS f 163 " --> pdb=" O LYS f 159 " (cutoff:3.500A) removed outlier: 4.258A pdb=" N TYR f 190 " --> pdb=" O ALA f 186 " (cutoff:3.500A) Processing helix chain 'f' and resid 197 through 211 removed outlier: 3.597A pdb=" N SER f 211 " --> pdb=" O LEU f 207 " (cutoff:3.500A) Processing helix chain 'o' and resid 24 through 35 removed outlier: 3.725A pdb=" N GLN o 30 " --> pdb=" O SER o 26 " (cutoff:3.500A) Processing helix chain 'o' and resid 46 through 51 removed outlier: 5.290A pdb=" N VAL o 51 " --> pdb=" O ILE o 47 " (cutoff:3.500A) Processing helix chain 'o' and resid 77 through 139 removed outlier: 3.723A pdb=" N LEU o 93 " --> pdb=" O ASP o 89 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N PHE o 96 " --> pdb=" O MET o 92 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N LEU o 98 " --> pdb=" O GLU o 94 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N THR o 101 " --> pdb=" O LYS o 97 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N SER o 104 " --> pdb=" O SER o 100 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N LYS o 107 " --> pdb=" O ASP o 103 " (cutoff:3.500A) removed outlier: 4.217A pdb=" N LEU o 121 " --> pdb=" O ASP o 117 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N VAL o 122 " --> pdb=" O ALA o 118 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N ASN o 131 " --> pdb=" O LEU o 127 " (cutoff:3.500A) Proline residue: o 138 - end of helix Processing helix chain 'p' and resid 24 through 35 removed outlier: 3.591A pdb=" N LYS p 33 " --> pdb=" O GLU p 29 " (cutoff:3.500A) Processing helix chain 'p' and resid 84 through 142 removed outlier: 3.593A pdb=" N GLU p 94 " --> pdb=" O ALA p 90 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N MET p 128 " --> pdb=" O ALA p 124 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N ASN p 131 " --> pdb=" O LEU p 127 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N GLU p 132 " --> pdb=" O MET p 128 " (cutoff:3.500A) Proline residue: p 138 - end of helix removed outlier: 3.648A pdb=" N SER p 141 " --> pdb=" O LEU p 137 " (cutoff:3.500A) removed outlier: 4.392A pdb=" N GLN p 142 " --> pdb=" O PRO p 138 " (cutoff:3.500A) Processing helix chain 'p' and resid 78 through 83 Processing helix chain 'q' and resid 24 through 35 Processing helix chain 'q' and resid 77 through 142 removed outlier: 3.652A pdb=" N LEU q 81 " --> pdb=" O ILE q 77 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N ALA q 90 " --> pdb=" O ASN q 86 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N LYS q 97 " --> pdb=" O LEU q 93 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N THR q 101 " --> pdb=" O LYS q 97 " (cutoff:3.500A) removed outlier: 3.811A pdb=" N LYS q 108 " --> pdb=" O SER q 104 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N VAL q 122 " --> pdb=" O ALA q 118 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N ALA q 123 " --> pdb=" O ALA q 119 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N MET q 128 " --> pdb=" O ALA q 124 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N LYS q 135 " --> pdb=" O ASN q 131 " (cutoff:3.500A) Proline residue: q 138 - end of helix Processing helix chain 'q' and resid 471 through 476 removed outlier: 6.798A pdb=" N ASP q 476 " --> pdb=" O THR q 471 " (cutoff:3.500A) No H-bonds generated for 'chain 'q' and resid 471 through 476' Processing helix chain 'r' and resid 24 through 35 Processing helix chain 'r' and resid 77 through 138 removed outlier: 3.717A pdb=" N THR r 82 " --> pdb=" O PRO r 78 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N LEU r 93 " --> pdb=" O ASP r 89 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N LEU r 98 " --> pdb=" O GLU r 94 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N ARG r 99 " --> pdb=" O ASN r 95 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N THR r 101 " --> pdb=" O LYS r 97 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N LEU r 102 " --> pdb=" O LEU r 98 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N GLU r 115 " --> pdb=" O THR r 111 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N LYS r 120 " --> pdb=" O ARG r 116 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N LEU r 121 " --> pdb=" O ASP r 117 " (cutoff:3.500A) removed outlier: 4.101A pdb=" N ALA r 124 " --> pdb=" O LYS r 120 " (cutoff:3.500A) removed outlier: 3.707A pdb=" N GLN r 125 " --> pdb=" O LEU r 121 " (cutoff:3.500A) Proline residue: r 138 - end of helix Processing helix chain 't' and resid 13 through 32 Processing helix chain 't' and resid 52 through 65 removed outlier: 4.245A pdb=" N THR t 56 " --> pdb=" O ASN t 52 " (cutoff:3.500A) Processing helix chain 't' and resid 72 through 77 removed outlier: 6.009A pdb=" N THR t 76 " --> pdb=" O LYS t 72 " (cutoff:3.500A) Proline residue: t 77 - end of helix No H-bonds generated for 'chain 't' and resid 72 through 77' Processing helix chain 't' and resid 82 through 110 removed outlier: 3.580A pdb=" N LYS t 94 " --> pdb=" O GLU t 90 " (cutoff:3.500A) Proline residue: t 96 - end of helix Proline residue: t 105 - end of helix removed outlier: 4.054A pdb=" N SER t 109 " --> pdb=" O PRO t 105 " (cutoff:3.500A) Processing helix chain 't' and resid 112 through 175 removed outlier: 3.655A pdb=" N VAL t 117 " --> pdb=" O LEU t 113 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N TYR t 120 " --> pdb=" O ILE t 116 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N VAL t 127 " --> pdb=" O HIS t 123 " (cutoff:3.500A) removed outlier: 3.936A pdb=" N LEU t 128 " --> pdb=" O GLN t 124 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N ASP t 129 " --> pdb=" O GLU t 125 " (cutoff:3.500A) Proline residue: t 133 - end of helix removed outlier: 3.741A pdb=" N ARG t 148 " --> pdb=" O ASN t 144 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N GLU t 155 " --> pdb=" O CYS t 151 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N ARG t 172 " --> pdb=" O LEU t 168 " (cutoff:3.500A) Processing helix chain 'n' and resid 52 through 63 removed outlier: 4.061A pdb=" N LYS n 61 " --> pdb=" O LYS n 57 " (cutoff:3.500A) removed outlier: 4.465A pdb=" N THR n 62 " --> pdb=" O ARG n 58 " (cutoff:3.500A) removed outlier: 4.768A pdb=" N ARG n 63 " --> pdb=" O ARG n 59 " (cutoff:3.500A) Processing helix chain 'k' and resid 11 through 16 removed outlier: 4.035A pdb=" N LEU k 15 " --> pdb=" O ARG k 11 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N ILE k 16 " --> pdb=" O LEU k 12 " (cutoff:3.500A) No H-bonds generated for 'chain 'k' and resid 11 through 16' Processing helix chain 'k' and resid 88 through 93 removed outlier: 5.235A pdb=" N LEU k 93 " --> pdb=" O GLY k 89 " (cutoff:3.500A) Processing helix chain 'i' and resid 12 through 24 Processing helix chain 'i' and resid 83 through 88 removed outlier: 3.599A pdb=" N ILE i 87 " --> pdb=" O LYS i 83 " (cutoff:3.500A) removed outlier: 5.998A pdb=" N THR i 88 " --> pdb=" O GLY i 84 " (cutoff:3.500A) No H-bonds generated for 'chain 'i' and resid 83 through 88' Processing helix chain 'h' and resid 14 through 23 removed outlier: 3.667A pdb=" N PHE h 18 " --> pdb=" O ASN h 14 " (cutoff:3.500A) Processing helix chain 'l' and resid 5 through 15 Processing helix chain 'l' and resid 65 through 70 removed outlier: 5.251A pdb=" N LYS l 70 " --> pdb=" O GLY l 66 " (cutoff:3.500A) Processing helix chain 'l' and resid 75 through 82 removed outlier: 4.528A pdb=" N LYS l 79 " --> pdb=" O PRO l 75 " (cutoff:3.500A) removed outlier: 4.388A pdb=" N ASN l 80 " --> pdb=" O ASP l 76 " (cutoff:3.500A) removed outlier: 4.258A pdb=" N ALA l 81 " --> pdb=" O LEU l 77 " (cutoff:3.500A) Proline residue: l 82 - end of helix No H-bonds generated for 'chain 'l' and resid 75 through 82' Processing helix chain 'm' and resid 2 through 11 removed outlier: 3.878A pdb=" N PHE m 6 " --> pdb=" O LYS m 2 " (cutoff:3.500A) removed outlier: 4.919A pdb=" N ARG m 11 " --> pdb=" O LEU m 7 " (cutoff:3.500A) Processing helix chain 'm' and resid 88 through 93 removed outlier: 3.587A pdb=" N ILE m 92 " --> pdb=" O ARG m 88 " (cutoff:3.500A) removed outlier: 5.687A pdb=" N ARG m 93 " --> pdb=" O GLY m 89 " (cutoff:3.500A) No H-bonds generated for 'chain 'm' and resid 88 through 93' Processing helix chain 'm' and resid 102 through 108 Processing helix chain 'g' and resid 15 through 29 Processing helix chain 'g' and resid 31 through 41 removed outlier: 3.781A pdb=" N ASN g 35 " --> pdb=" O MET g 31 " (cutoff:3.500A) Processing helix chain 'g' and resid 97 through 102 removed outlier: 4.130A pdb=" N VAL g 101 " --> pdb=" O ARG g 97 " (cutoff:3.500A) removed outlier: 5.538A pdb=" N ILE g 102 " --> pdb=" O GLY g 98 " (cutoff:3.500A) No H-bonds generated for 'chain 'g' and resid 97 through 102' Processing sheet with id= 1, first strand: chain 'A' and resid 200 through 203 removed outlier: 6.591A pdb=" N LYS A 190 " --> pdb=" O ASN A 203 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 299 through 303 removed outlier: 7.364A pdb=" N LYS A 299 " --> pdb=" O MET A 493 " (cutoff:3.500A) removed outlier: 6.007A pdb=" N MET A 493 " --> pdb=" O LYS A 299 " (cutoff:3.500A) removed outlier: 5.818A pdb=" N THR A 489 " --> pdb=" O PHE A 303 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'A' and resid 967 through 973 Processing sheet with id= 4, first strand: chain 'A' and resid 1159 through 1163 removed outlier: 3.779A pdb=" N LEU A1160 " --> pdb=" O LEU A1171 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N SER A1249 " --> pdb=" O LEU A1049 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'A' and resid 1257 through 1261 removed outlier: 3.638A pdb=" N ALA A1298 " --> pdb=" O LEU A1288 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'A' and resid 1405 through 1410 removed outlier: 7.309A pdb=" N ILE A1405 " --> pdb=" O GLY A1428 " (cutoff:3.500A) removed outlier: 4.687A pdb=" N GLY A1428 " --> pdb=" O ILE A1405 " (cutoff:3.500A) removed outlier: 6.165A pdb=" N HIS A1424 " --> pdb=" O ALA A1409 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'A' and resid 1572 through 1575 removed outlier: 6.349A pdb=" N GLY A1572 " --> pdb=" O SER A1828 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'A' and resid 1624 through 1627 removed outlier: 5.662A pdb=" N ILE A1632 " --> pdb=" O LEU A1627 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'A' and resid 1679 through 1683 removed outlier: 3.911A pdb=" N SER A1680 " --> pdb=" O GLU A1704 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N GLU A1704 " --> pdb=" O SER A1680 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N ILE A1701 " --> pdb=" O PHE A1734 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N MET A1732 " --> pdb=" O MET A1703 " (cutoff:3.500A) removed outlier: 5.180A pdb=" N THR A1771 " --> pdb=" O LYS A1731 " (cutoff:3.500A) removed outlier: 3.553A pdb=" N TRP A1733 " --> pdb=" O THR A1771 " (cutoff:3.500A) removed outlier: 4.744A pdb=" N GLY A1772 " --> pdb=" O ASN A1789 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'A' and resid 1708 through 1712 removed outlier: 3.799A pdb=" N LEU A1727 " --> pdb=" O VAL A1711 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'A' and resid 1859 through 1864 removed outlier: 4.274A pdb=" N ARG A1859 " --> pdb=" O ILE A1875 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N LYS A1873 " --> pdb=" O THR A1861 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'A' and resid 1879 through 1883 removed outlier: 3.697A pdb=" N PHE A1880 " --> pdb=" O ASP A1853 " (cutoff:3.500A) removed outlier: 8.429A pdb=" N ASP A1854 " --> pdb=" O THR A1936 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'A' and resid 2217 through 2221 removed outlier: 4.543A pdb=" N GLN A2338 " --> pdb=" O ASN A2181 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'A' and resid 2228 through 2232 removed outlier: 4.216A pdb=" N SER A2235 " --> pdb=" O HIS A2232 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'A' and resid 2253 through 2256 removed outlier: 6.676A pdb=" N ILE A2207 " --> pdb=" O LEU A2256 " (cutoff:3.500A) removed outlier: 3.680A pdb=" N THR A2223 " --> pdb=" O TYR A2208 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'A' and resid 2289 through 2296 Processing sheet with id= 17, first strand: chain 'A' and resid 2202 through 2207 removed outlier: 4.832A pdb=" N VAL A2203 " --> pdb=" O THR A2261 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N GLY A2257 " --> pdb=" O ILE A2207 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'B' and resid 452 through 457 removed outlier: 3.584A pdb=" N TYR B 460 " --> pdb=" O LYS B 457 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'B' and resid 585 through 588 removed outlier: 3.719A pdb=" N LEU B 630 " --> pdb=" O LYS B 556 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ASP B 634 " --> pdb=" O ILE B 560 " (cutoff:3.500A) removed outlier: 4.284A pdb=" N GLY B 690 " --> pdb=" O ASN B 516 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N LEU B 518 " --> pdb=" O GLY B 690 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'B' and resid 701 through 710 Processing sheet with id= 21, first strand: chain 'B' and resid 850 through 855 No H-bonds generated for sheet with id= 21 Processing sheet with id= 22, first strand: chain 'B' and resid 987 through 991 Processing sheet with id= 23, first strand: chain 'B' and resid 1201 through 1211 removed outlier: 3.819A pdb=" N LYS B1201 " --> pdb=" O ASP B1225 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N ASN B1207 " --> pdb=" O ASN B1219 " (cutoff:3.500A) removed outlier: 6.619A pdb=" N VAL B1215 " --> pdb=" O ILE B1211 " (cutoff:3.500A) removed outlier: 5.898A pdb=" N SER B1214 " --> pdb=" O LEU B1276 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'B' and resid 1253 through 1260 removed outlier: 3.645A pdb=" N TYR B1253 " --> pdb=" O LEU B1243 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'B' and resid 1364 through 1370 removed outlier: 7.537A pdb=" N ASP B1364 " --> pdb=" O ILE B1506 " (cutoff:3.500A) removed outlier: 5.490A pdb=" N PHE B1508 " --> pdb=" O ASP B1364 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'B' and resid 1423 through 1427 removed outlier: 3.778A pdb=" N ILE B1425 " --> pdb=" O VAL B1444 " (cutoff:3.500A) removed outlier: 4.863A pdb=" N LEU B1446 " --> pdb=" O ILE B1425 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'B' and resid 1543 through 1550 removed outlier: 8.682A pdb=" N ASP B1678 " --> pdb=" O ALA B1717 " (cutoff:3.500A) removed outlier: 4.529A pdb=" N LYS B1719 " --> pdb=" O ASP B1678 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N VAL B1680 " --> pdb=" O LYS B1719 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N GLU B1679 " --> pdb=" O SER B1580 " (cutoff:3.500A) removed outlier: 3.599A pdb=" N LEU B1683 " --> pdb=" O PHE B1584 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N SER B1581 " --> pdb=" O SER B1662 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'B' and resid 1685 through 1690 removed outlier: 8.026A pdb=" N THR B1685 " --> pdb=" O TYR B1698 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'B' and resid 1820 through 1824 removed outlier: 3.745A pdb=" N ILE B1843 " --> pdb=" O ASP B1823 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'B' and resid 2050 through 2057 removed outlier: 7.862A pdb=" N ASN B2050 " --> pdb=" O ASP B2078 " (cutoff:3.500A) removed outlier: 4.582A pdb=" N ASP B2078 " --> pdb=" O ASN B2050 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N THR B2076 " --> pdb=" O GLU B2052 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'B' and resid 2113 through 2118 removed outlier: 6.819A pdb=" N SER B2098 " --> pdb=" O ASP B2147 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'C' and resid 193 through 199 removed outlier: 3.807A pdb=" N ASN C 194 " --> pdb=" O ASP C 214 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N MET C 209 " --> pdb=" O ARG C 132 " (cutoff:3.500A) removed outlier: 5.593A pdb=" N GLY C 140 " --> pdb=" O ALA C 215 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N LEU C 234 " --> pdb=" O ASN C 135 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N GLY C 137 " --> pdb=" O LEU C 234 " (cutoff:3.500A) removed outlier: 6.604A pdb=" N ASN C 310 " --> pdb=" O MET C 263 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'C' and resid 474 through 477 removed outlier: 3.749A pdb=" N LYS C 474 " --> pdb=" O LEU C 485 " (cutoff:3.500A) removed outlier: 6.947A pdb=" N LEU C 485 " --> pdb=" O LEU C 473 " (cutoff:3.500A) removed outlier: 6.794A pdb=" N VAL C 580 " --> pdb=" O THR C 498 " (cutoff:3.500A) removed outlier: 10.269A pdb=" N THR C 498 " --> pdb=" O VAL C 580 " (cutoff:3.500A) removed outlier: 4.076A pdb=" N ASP C 497 " --> pdb=" O VAL C 539 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'C' and resid 542 through 546 removed outlier: 3.965A pdb=" N ILE C 542 " --> pdb=" O VAL C 553 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N TYR C 549 " --> pdb=" O GLY C 546 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'C' and resid 632 through 636 removed outlier: 5.613A pdb=" N VAL C 606 " --> pdb=" O SER C 671 " (cutoff:3.500A) removed outlier: 8.161A pdb=" N GLU C 667 " --> pdb=" O LEU C 610 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'C' and resid 677 through 681 removed outlier: 4.883A pdb=" N LEU C 899 " --> pdb=" O VAL C 894 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N VAL C 894 " --> pdb=" O LEU C 899 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N LYS C 890 " --> pdb=" O ARG C 903 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'C' and resid 698 through 701 removed outlier: 6.357A pdb=" N LEU C 706 " --> pdb=" O GLU C 701 " (cutoff:3.500A) removed outlier: 6.965A pdb=" N SER C 709 " --> pdb=" O LEU C 821 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N MET C 715 " --> pdb=" O GLY C 815 " (cutoff:3.500A) removed outlier: 7.391A pdb=" N GLY C 815 " --> pdb=" O MET C 715 " (cutoff:3.500A) removed outlier: 4.068A pdb=" N VAL C 773 " --> pdb=" O VAL C 816 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'C' and resid 705 through 709 removed outlier: 8.459A pdb=" N GLY C 705 " --> pdb=" O PRO C 826 " (cutoff:3.500A) removed outlier: 4.103A pdb=" N SER C 707 " --> pdb=" O SER C 824 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'C' and resid 862 through 868 removed outlier: 3.936A pdb=" N TYR C 931 " --> pdb=" O GLU C 863 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'C' and resid 857 through 860 No H-bonds generated for sheet with id= 40 Processing sheet with id= 41, first strand: chain 'F' and resid 59 through 65 removed outlier: 5.080A pdb=" N TYR F 59 " --> pdb=" O LEU F1231 " (cutoff:3.500A) removed outlier: 6.320A pdb=" N VAL F1225 " --> pdb=" O LEU F 65 " (cutoff:3.500A) removed outlier: 5.948A pdb=" N LEU F1221 " --> pdb=" O GLN F1222 " (cutoff:3.500A) removed outlier: 6.403A pdb=" N THR F1224 " --> pdb=" O MET F1219 " (cutoff:3.500A) removed outlier: 4.968A pdb=" N MET F1219 " --> pdb=" O THR F1224 " (cutoff:3.500A) removed outlier: 6.182A pdb=" N GLY F1226 " --> pdb=" O ILE F1217 " (cutoff:3.500A) removed outlier: 4.494A pdb=" N ILE F1217 " --> pdb=" O GLY F1226 " (cutoff:3.500A) removed outlier: 6.720A pdb=" N PHE F1228 " --> pdb=" O GLY F1215 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N GLY F1215 " --> pdb=" O PHE F1228 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N GLY F1215 " --> pdb=" O LEU F1205 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'F' and resid 73 through 77 removed outlier: 3.650A pdb=" N GLY F 77 " --> pdb=" O GLN F 92 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N GLN F 92 " --> pdb=" O GLY F 77 " (cutoff:3.500A) removed outlier: 6.818A pdb=" N SER F 91 " --> pdb=" O THR F 106 " (cutoff:3.500A) removed outlier: 4.318A pdb=" N THR F 106 " --> pdb=" O SER F 91 " (cutoff:3.500A) removed outlier: 6.966A pdb=" N LEU F 103 " --> pdb=" O ILE F 114 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'F' and resid 126 through 129 removed outlier: 6.617A pdb=" N ILE F 159 " --> pdb=" O LEU F 174 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'F' and resid 192 through 196 removed outlier: 4.104A pdb=" N TYR F 192 " --> pdb=" O SER F 205 " (cutoff:3.500A) removed outlier: 5.262A pdb=" N CYS F 201 " --> pdb=" O ASP F 196 " (cutoff:3.500A) removed outlier: 5.674A pdb=" N ARG F 200 " --> pdb=" O VAL F 216 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N GLN F 209 " --> pdb=" O ARG F 232 " (cutoff:3.500A) removed outlier: 4.076A pdb=" N ARG F 232 " --> pdb=" O GLN F 209 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'F' and resid 235 through 238 removed outlier: 4.636A pdb=" N CYS F 251 " --> pdb=" O VAL F 243 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N VAL F 243 " --> pdb=" O CYS F 251 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N LEU F 255 " --> pdb=" O ASP F 239 " (cutoff:3.500A) removed outlier: 4.861A pdb=" N ASP F 239 " --> pdb=" O LEU F 255 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'F' and resid 278 through 282 removed outlier: 3.528A pdb=" N HIS F 279 " --> pdb=" O GLU F 274 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N ALA F 284 " --> pdb=" O PHE F 270 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'F' and resid 294 through 298 removed outlier: 4.242A pdb=" N PHE F 326 " --> pdb=" O LEU F 298 " (cutoff:3.500A) removed outlier: 5.675A pdb=" N PHE F 344 " --> pdb=" O ASP F 339 " (cutoff:3.500A) removed outlier: 5.763A pdb=" N LEU F 464 " --> pdb=" O ILE F 350 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'F' and resid 367 through 370 removed outlier: 3.606A pdb=" N SER F 367 " --> pdb=" O GLN F 382 " (cutoff:3.500A) removed outlier: 5.931A pdb=" N GLN F 382 " --> pdb=" O SER F 367 " (cutoff:3.500A) removed outlier: 4.506A pdb=" N ASP F 387 " --> pdb=" O SER F 383 " (cutoff:3.500A) removed outlier: 4.843A pdb=" N LEU F 388 " --> pdb=" O PHE F 410 " (cutoff:3.500A) removed outlier: 3.698A pdb=" N THR F 392 " --> pdb=" O GLN F 406 " (cutoff:3.500A) removed outlier: 6.443A pdb=" N VAL F 405 " --> pdb=" O SER F 457 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LEU F 407 " --> pdb=" O LEU F 455 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'F' and resid 417 through 422 removed outlier: 3.590A pdb=" N GLN F 418 " --> pdb=" O LEU F 430 " (cutoff:3.500A) removed outlier: 5.183A pdb=" N TYR F 426 " --> pdb=" O PHE F 422 " (cutoff:3.500A) removed outlier: 5.329A pdb=" N SER F 431 " --> pdb=" O ASN F 435 " (cutoff:3.500A) removed outlier: 5.559A pdb=" N ASN F 435 " --> pdb=" O SER F 431 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N ASN F 436 " --> pdb=" O GLN F 481 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N LEU F 438 " --> pdb=" O SER F 479 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N SER F 479 " --> pdb=" O LEU F 438 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'F' and resid 490 through 493 removed outlier: 7.538A pdb=" N LEU F 498 " --> pdb=" O ASN F 515 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LYS F 509 " --> pdb=" O HIS F 504 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'F' and resid 518 through 522 removed outlier: 6.047A pdb=" N ASN F 518 " --> pdb=" O SER F 877 " (cutoff:3.500A) removed outlier: 3.913A pdb=" N ILE F 873 " --> pdb=" O ILE F 523 " (cutoff:3.500A) removed outlier: 5.195A pdb=" N ILE F 523 " --> pdb=" O ILE F 873 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'F' and resid 532 through 538 removed outlier: 4.375A pdb=" N LYS F 533 " --> pdb=" O THR F 553 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N THR F 553 " --> pdb=" O LYS F 533 " (cutoff:3.500A) removed outlier: 3.765A pdb=" N MET F 559 " --> pdb=" O ILE F 552 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N LYS F 557 " --> pdb=" O PHE F 554 " (cutoff:3.500A) removed outlier: 4.883A pdb=" N ILE F 560 " --> pdb=" O LEU F 571 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N LEU F 571 " --> pdb=" O ILE F 560 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'F' and resid 590 through 594 removed outlier: 3.928A pdb=" N SER F 598 " --> pdb=" O MET F 594 " (cutoff:3.500A) removed outlier: 6.918A pdb=" N HIS F 609 " --> pdb=" O LYS F 621 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N SER F 619 " --> pdb=" O VAL F 611 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain 'F' and resid 634 through 637 removed outlier: 5.442A pdb=" N TYR F 653 " --> pdb=" O LEU F 666 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LYS F 655 " --> pdb=" O ILE F 664 " (cutoff:3.500A) removed outlier: 4.550A pdb=" N SER F 662 " --> pdb=" O ASP F 657 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain 'F' and resid 677 through 681 removed outlier: 4.251A pdb=" N LYS F 678 " --> pdb=" O ALA F 694 " (cutoff:3.500A) removed outlier: 4.818A pdb=" N MET F 699 " --> pdb=" O ASP F 695 " (cutoff:3.500A) removed outlier: 6.301A pdb=" N ILE F 702 " --> pdb=" O VAL F 715 " (cutoff:3.500A) removed outlier: 4.300A pdb=" N VAL F 715 " --> pdb=" O ILE F 702 " (cutoff:3.500A) removed outlier: 6.048A pdb=" N SER F 704 " --> pdb=" O LEU F 713 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain 'F' and resid 726 through 732 removed outlier: 4.116A pdb=" N ASP F 727 " --> pdb=" O GLY F 744 " (cutoff:3.500A) removed outlier: 4.139A pdb=" N LEU F 739 " --> pdb=" O ILE F 755 " (cutoff:3.500A) removed outlier: 4.636A pdb=" N VAL F 749 " --> pdb=" O LEU F 745 " (cutoff:3.500A) removed outlier: 5.342A pdb=" N GLY F 748 " --> pdb=" O LEU F 770 " (cutoff:3.500A) removed outlier: 4.126A pdb=" N HIS F 754 " --> pdb=" O ASP F 764 " (cutoff:3.500A) removed outlier: 5.345A pdb=" N ASP F 764 " --> pdb=" O HIS F 754 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain 'F' and resid 776 through 781 removed outlier: 4.471A pdb=" N SER F 776 " --> pdb=" O HIS F 822 " (cutoff:3.500A) removed outlier: 3.880A pdb=" N HIS F 822 " --> pdb=" O SER F 776 " (cutoff:3.500A) removed outlier: 3.829A pdb=" N CYS F 818 " --> pdb=" O LEU F 780 " (cutoff:3.500A) removed outlier: 6.203A pdb=" N SER F 817 " --> pdb=" O THR F 831 " (cutoff:3.500A) removed outlier: 4.559A pdb=" N THR F 831 " --> pdb=" O SER F 817 " (cutoff:3.500A) removed outlier: 4.056A pdb=" N VAL F 819 " --> pdb=" O SER F 829 " (cutoff:3.500A) removed outlier: 4.366A pdb=" N SER F 829 " --> pdb=" O VAL F 819 " (cutoff:3.500A) removed outlier: 5.508A pdb=" N THR F 826 " --> pdb=" O LEU F 841 " (cutoff:3.500A) removed outlier: 3.605A pdb=" N VAL F 828 " --> pdb=" O ARG F 839 " (cutoff:3.500A) removed outlier: 6.439A pdb=" N ARG F 839 " --> pdb=" O VAL F 828 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N TYR F 830 " --> pdb=" O THR F 837 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'F' and resid 848 through 852 removed outlier: 3.725A pdb=" N SER F 848 " --> pdb=" O ILE F 865 " (cutoff:3.500A) removed outlier: 4.374A pdb=" N GLY F 861 " --> pdb=" O PHE F 852 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'F' and resid 924 through 927 removed outlier: 6.863A pdb=" N ILE F 942 " --> pdb=" O ARG F 927 " (cutoff:3.500A) removed outlier: 4.065A pdb=" N ARG F 952 " --> pdb=" O ASP F 943 " (cutoff:3.500A) removed outlier: 5.218A pdb=" N GLN F 950 " --> pdb=" O HIS F 945 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'F' and resid 981 through 986 removed outlier: 4.193A pdb=" N SER F 981 " --> pdb=" O CYS F 997 " (cutoff:3.500A) removed outlier: 4.866A pdb=" N ASP F 992 " --> pdb=" O ILE F1008 " (cutoff:3.500A) removed outlier: 4.052A pdb=" N ARG F1002 " --> pdb=" O ALA F 998 " (cutoff:3.500A) removed outlier: 6.265A pdb=" N LEU F1003 " --> pdb=" O GLN F1024 " (cutoff:3.500A) removed outlier: 4.621A pdb=" N GLN F1024 " --> pdb=" O LEU F1003 " (cutoff:3.500A) removed outlier: 6.677A pdb=" N THR F1005 " --> pdb=" O LEU F1022 " (cutoff:3.500A) removed outlier: 6.753A pdb=" N SER F1016 " --> pdb=" O ASN F1011 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain 'F' and resid 1033 through 1036 removed outlier: 4.537A pdb=" N ALA F1033 " --> pdb=" O ALA F1044 " (cutoff:3.500A) removed outlier: 6.376A pdb=" N LEU F1051 " --> pdb=" O ARG F1062 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N LEU F1060 " --> pdb=" O GLY F1053 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain 'F' and resid 1076 through 1080 removed outlier: 4.466A pdb=" N SER F1076 " --> pdb=" O GLY F1088 " (cutoff:3.500A) removed outlier: 6.788A pdb=" N GLU F1083 " --> pdb=" O TRP F1099 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N LEU F1085 " --> pdb=" O PHE F1097 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N ASP F1089 " --> pdb=" O SER F1093 " (cutoff:3.500A) removed outlier: 5.919A pdb=" N SER F1093 " --> pdb=" O ASP F1089 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N VAL F1105 " --> pdb=" O ASP F1100 " (cutoff:3.500A) Processing sheet with id= 63, first strand: chain 'F' and resid 1120 through 1123 removed outlier: 4.774A pdb=" N VAL F1120 " --> pdb=" O ALA F1132 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N ILE F1130 " --> pdb=" O LYS F1122 " (cutoff:3.500A) removed outlier: 6.951A pdb=" N ALA F1127 " --> pdb=" O SER F1143 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N TRP F1139 " --> pdb=" O GLY F1131 " (cutoff:3.500A) removed outlier: 4.987A pdb=" N ASN F1137 " --> pdb=" O ASP F1133 " (cutoff:3.500A) removed outlier: 4.767A pdb=" N GLY F1136 " --> pdb=" O VAL F1195 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain 'F' and resid 156 through 159 removed outlier: 3.616A pdb=" N VAL F 175 " --> pdb=" O ILE F 159 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain 'F' and resid 249 through 257 Processing sheet with id= 66, first strand: chain 'F' and resid 606 through 609 removed outlier: 3.907A pdb=" N TRP F 624 " --> pdb=" O LEU F 607 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N LEU F 622 " --> pdb=" O HIS F 609 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain 'F' and resid 649 through 652 removed outlier: 6.345A pdb=" N TYR F 649 " --> pdb=" O LEU F 672 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'F' and resid 699 through 702 removed outlier: 3.521A pdb=" N ILE F 702 " --> pdb=" O SER F 717 " (cutoff:3.500A) removed outlier: 4.534A pdb=" N SER F 717 " --> pdb=" O ILE F 702 " (cutoff:3.500A) Processing sheet with id= 69, first strand: chain 'F' and resid 860 through 865 removed outlier: 5.654A pdb=" N ASN F 860 " --> pdb=" O VAL F 876 " (cutoff:3.500A) removed outlier: 3.797A pdb=" N VAL F 876 " --> pdb=" O ASN F 860 " (cutoff:3.500A) Processing sheet with id= 70, first strand: chain 'F' and resid 1048 through 1051 Processing sheet with id= 71, first strand: chain 'O' and resid 129 through 132 removed outlier: 6.769A pdb=" N ILE O 425 " --> pdb=" O SER O 132 " (cutoff:3.500A) Processing sheet with id= 72, first strand: chain 'O' and resid 143 through 148 removed outlier: 4.110A pdb=" N CYS O 144 " --> pdb=" O GLY O 158 " (cutoff:3.500A) removed outlier: 6.174A pdb=" N TRP O 154 " --> pdb=" O ASP O 148 " (cutoff:3.500A) Processing sheet with id= 73, first strand: chain 'O' and resid 172 through 175 removed outlier: 3.812A pdb=" N LYS O 173 " --> pdb=" O ASP O 168 " (cutoff:3.500A) removed outlier: 6.744A pdb=" N VAL O 166 " --> pdb=" O LYS O 175 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N THR O 176 " --> pdb=" O VAL O 166 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'O' and resid 186 through 191 removed outlier: 3.712A pdb=" N ASP O 187 " --> pdb=" O VAL O 200 " (cutoff:3.500A) removed outlier: 5.456A pdb=" N TYR O 196 " --> pdb=" O SER O 191 " (cutoff:3.500A) removed outlier: 4.591A pdb=" N THR O 205 " --> pdb=" O SER O 201 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N VAL O 206 " --> pdb=" O TYR O 220 " (cutoff:3.500A) removed outlier: 4.221A pdb=" N ARG O 218 " --> pdb=" O CYS O 208 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain 'O' and resid 228 through 233 removed outlier: 4.816A pdb=" N LEU O 238 " --> pdb=" O HIS O 233 " (cutoff:3.500A) removed outlier: 9.060A pdb=" N ASP O 237 " --> pdb=" O MET O 253 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N GLY O 243 " --> pdb=" O VAL O 247 " (cutoff:3.500A) removed outlier: 4.540A pdb=" N VAL O 247 " --> pdb=" O GLY O 243 " (cutoff:3.500A) Processing sheet with id= 76, first strand: chain 'O' and resid 270 through 275 removed outlier: 4.304A pdb=" N GLN O 280 " --> pdb=" O THR O 275 " (cutoff:3.500A) removed outlier: 4.194A pdb=" N VAL O 281 " --> pdb=" O TRP O 293 " (cutoff:3.500A) removed outlier: 6.731A pdb=" N LEU O 292 " --> pdb=" O MET O 301 " (cutoff:3.500A) Processing sheet with id= 77, first strand: chain 'O' and resid 313 through 317 removed outlier: 4.233A pdb=" N ALA O 313 " --> pdb=" O ALA O 326 " (cutoff:3.500A) removed outlier: 4.938A pdb=" N SER O 322 " --> pdb=" O HIS O 317 " (cutoff:3.500A) removed outlier: 4.583A pdb=" N ILE O 331 " --> pdb=" O PHE O 345 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N SER O 333 " --> pdb=" O THR O 343 " (cutoff:3.500A) removed outlier: 4.621A pdb=" N THR O 343 " --> pdb=" O SER O 333 " (cutoff:3.500A) Processing sheet with id= 78, first strand: chain 'O' and resid 354 through 359 removed outlier: 3.627A pdb=" N THR O 355 " --> pdb=" O GLY O 367 " (cutoff:3.500A) removed outlier: 4.066A pdb=" N VAL O 363 " --> pdb=" O ASN O 359 " (cutoff:3.500A) removed outlier: 8.157A pdb=" N ASP O 362 " --> pdb=" O TYR O 378 " (cutoff:3.500A) removed outlier: 5.108A pdb=" N VAL O 372 " --> pdb=" O GLY O 368 " (cutoff:3.500A) removed outlier: 7.220A pdb=" N GLY O 371 " --> pdb=" O THR O 389 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N PHE O 375 " --> pdb=" O GLN O 385 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N GLN O 385 " --> pdb=" O PHE O 375 " (cutoff:3.500A) Processing sheet with id= 79, first strand: chain 'O' and resid 403 through 407 removed outlier: 3.720A pdb=" N CYS O 404 " --> pdb=" O GLY O 417 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N GLY O 417 " --> pdb=" O CYS O 404 " (cutoff:3.500A) Processing sheet with id= 80, first strand: chain 'O' and resid 289 through 292 Processing sheet with id= 81, first strand: chain 'O' and resid 413 through 418 removed outlier: 3.650A pdb=" N SER O 422 " --> pdb=" O GLU O 418 " (cutoff:3.500A) Processing sheet with id= 82, first strand: chain 'Q' and resid 25 through 29 removed outlier: 3.516A pdb=" N THR Q 26 " --> pdb=" O HIS Q 45 " (cutoff:3.500A) removed outlier: 5.270A pdb=" N TYR Q 44 " --> pdb=" O THR Q 58 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain 'Q' and resid 239 through 244 removed outlier: 4.215A pdb=" N SER Q 239 " --> pdb=" O ARG Q 252 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N SER Q 204 " --> pdb=" O SER Q 294 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N TYR Q 208 " --> pdb=" O ILE Q 290 " (cutoff:3.500A) Processing sheet with id= 84, first strand: chain 'R' and resid 171 through 177 removed outlier: 4.021A pdb=" N CYS R 181 " --> pdb=" O VAL R 176 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N GLY R 182 " --> pdb=" O VAL R 139 " (cutoff:3.500A) removed outlier: 5.989A pdb=" N THR R 136 " --> pdb=" O ALA R 226 " (cutoff:3.500A) Processing sheet with id= 85, first strand: chain 'U' and resid 93 through 98 removed outlier: 3.792A pdb=" N LYS U 94 " --> pdb=" O ILE U 82 " (cutoff:3.500A) removed outlier: 6.061A pdb=" N TYR U 78 " --> pdb=" O LEU U 98 " (cutoff:3.500A) removed outlier: 4.107A pdb=" N GLU U 79 " --> pdb=" O MET U 202 " (cutoff:3.500A) removed outlier: 3.708A pdb=" N MET U 202 " --> pdb=" O GLU U 79 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N ASP U 184 " --> pdb=" O PHE U 201 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain 'U' and resid 102 through 107 removed outlier: 6.467A pdb=" N SER U 102 " --> pdb=" O PHE U 145 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N CYS U 141 " --> pdb=" O VAL U 106 " (cutoff:3.500A) removed outlier: 6.751A pdb=" N HIS U 140 " --> pdb=" O LEU U 159 " (cutoff:3.500A) removed outlier: 5.458A pdb=" N CYS U 154 " --> pdb=" O LEU U 180 " (cutoff:3.500A) Processing sheet with id= 87, first strand: chain 'V' and resid 59 through 63 removed outlier: 4.569A pdb=" N PHE V 74 " --> pdb=" O SER V 63 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N LEU V 77 " --> pdb=" O ILE V 33 " (cutoff:3.500A) removed outlier: 4.206A pdb=" N TYR V 79 " --> pdb=" O ALA V 31 " (cutoff:3.500A) removed outlier: 6.294A pdb=" N ALA V 31 " --> pdb=" O TYR V 79 " (cutoff:3.500A) removed outlier: 4.594A pdb=" N TYR V 32 " --> pdb=" O THR V 107 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N ARG V 100 " --> pdb=" O ILE V 97 " (cutoff:3.500A) removed outlier: 4.082A pdb=" N PHE V 95 " --> pdb=" O LEU V 102 " (cutoff:3.500A) Processing sheet with id= 88, first strand: chain 'Y' and resid 301 through 305 removed outlier: 4.180A pdb=" N GLN Y 305 " --> pdb=" O TYR Y 321 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ILE Y 273 " --> pdb=" O VAL Y 318 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N LYS Y 320 " --> pdb=" O ILE Y 273 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N CYS Y 342 " --> pdb=" O GLN Y 272 " (cutoff:3.500A) removed outlier: 3.830A pdb=" N LEU Y 375 " --> pdb=" O ILE Y 343 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLN Y 240 " --> pdb=" O LEU Y 372 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N PHE Y 396 " --> pdb=" O ILE Y 243 " (cutoff:3.500A) Processing sheet with id= 89, first strand: chain 'Y' and resid 496 through 501 Processing sheet with id= 90, first strand: chain 'Y' and resid 523 through 529 Processing sheet with id= 91, first strand: chain 'Y' and resid 807 through 810 removed outlier: 4.076A pdb=" N LYS Y 840 " --> pdb=" O THR Y 838 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N THR Y 838 " --> pdb=" O LYS Y 840 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N GLN Y 834 " --> pdb=" O ARG Y 844 " (cutoff:3.500A) Processing sheet with id= 92, first strand: chain 'Y' and resid 829 through 833 removed outlier: 4.111A pdb=" N TYR Y 829 " --> pdb=" O ILE Y 849 " (cutoff:3.500A) removed outlier: 7.494A pdb=" N ASP Y 845 " --> pdb=" O GLN Y 833 " (cutoff:3.500A) Processing sheet with id= 93, first strand: chain 'b' and resid 21 through 26 removed outlier: 6.747A pdb=" N LYS b 12 " --> pdb=" O THR b 160 " (cutoff:3.500A) Processing sheet with id= 94, first strand: chain 'b' and resid 99 through 102 removed outlier: 3.558A pdb=" N THR b 102 " --> pdb=" O LEU b 89 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N LEU b 89 " --> pdb=" O THR b 102 " (cutoff:3.500A) removed outlier: 6.320A pdb=" N LEU b 90 " --> pdb=" O PHE b 117 " (cutoff:3.500A) Processing sheet with id= 95, first strand: chain 'e' and resid 37 through 40 removed outlier: 5.619A pdb=" N ASN e 9 " --> pdb=" O PHE e 57 " (cutoff:3.500A) Processing sheet with id= 96, first strand: chain 'e' and resid 150 through 155 removed outlier: 4.506A pdb=" N ALA e 108 " --> pdb=" O PHE e 155 " (cutoff:3.500A) Processing sheet with id= 97, first strand: chain 'f' and resid 142 through 146 removed outlier: 4.431A pdb=" N LYS f 142 " --> pdb=" O ALA f 155 " (cutoff:3.500A) removed outlier: 3.694A pdb=" N ALA f 155 " --> pdb=" O LYS f 142 " (cutoff:3.500A) removed outlier: 5.057A pdb=" N LYS f 151 " --> pdb=" O ASP f 146 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain 'p' and resid 13 through 16 Processing sheet with id= 99, first strand: chain 'q' and resid 162 through 165 removed outlier: 4.009A pdb=" N ILE q 489 " --> pdb=" O GLY q 482 " (cutoff:3.500A) Processing sheet with id=100, first strand: chain 'q' and resid 177 through 181 removed outlier: 5.743A pdb=" N LYS q 193 " --> pdb=" O GLU q 181 " (cutoff:3.500A) removed outlier: 4.211A pdb=" N TRP q 209 " --> pdb=" O LYS q 198 " (cutoff:3.500A) removed outlier: 6.666A pdb=" N MET q 212 " --> pdb=" O HIS q 221 " (cutoff:3.500A) Processing sheet with id=101, first strand: chain 'q' and resid 231 through 236 removed outlier: 5.341A pdb=" N THR q 241 " --> pdb=" O THR q 236 " (cutoff:3.500A) removed outlier: 4.088A pdb=" N LEU q 257 " --> pdb=" O PRO q 246 " (cutoff:3.500A) Processing sheet with id=102, first strand: chain 'q' and resid 292 through 296 removed outlier: 3.595A pdb=" N TYR q 292 " --> pdb=" O ALA q 305 " (cutoff:3.500A) removed outlier: 5.302A pdb=" N TYR q 301 " --> pdb=" O GLU q 296 " (cutoff:3.500A) Processing sheet with id=103, first strand: chain 'q' and resid 310 through 313 Processing sheet with id=104, first strand: chain 'q' and resid 335 through 339 removed outlier: 3.837A pdb=" N SER q 335 " --> pdb=" O TYR q 348 " (cutoff:3.500A) removed outlier: 5.430A pdb=" N LEU q 344 " --> pdb=" O HIS q 339 " (cutoff:3.500A) removed outlier: 8.562A pdb=" N LEU q 343 " --> pdb=" O LEU q 359 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N ILE q 353 " --> pdb=" O SER q 349 " (cutoff:3.500A) removed outlier: 6.924A pdb=" N VAL q 356 " --> pdb=" O ALA q 365 " (cutoff:3.500A) Processing sheet with id=105, first strand: chain 'q' and resid 379 through 383 removed outlier: 5.249A pdb=" N TRP q 388 " --> pdb=" O ALA q 383 " (cutoff:3.500A) removed outlier: 7.632A pdb=" N TYR q 387 " --> pdb=" O LEU q 402 " (cutoff:3.500A) removed outlier: 6.943A pdb=" N CYS q 399 " --> pdb=" O THR q 408 " (cutoff:3.500A) Processing sheet with id=106, first strand: chain 'q' and resid 425 through 429 removed outlier: 5.708A pdb=" N ALA q 437 " --> pdb=" O ASP q 429 " (cutoff:3.500A) removed outlier: 8.168A pdb=" N ILE q 436 " --> pdb=" O PHE q 450 " (cutoff:3.500A) Processing sheet with id=107, first strand: chain 'q' and resid 209 through 212 Processing sheet with id=108, first strand: chain 'q' and resid 353 through 356 Processing sheet with id=109, first strand: chain 'q' and resid 396 through 399 removed outlier: 3.759A pdb=" N LEU q 409 " --> pdb=" O CYS q 399 " (cutoff:3.500A) Processing sheet with id=110, first strand: chain 'r' and resid 13 through 16 Processing sheet with id=111, first strand: chain 'k' and resid 43 through 46 Processing sheet with id=112, first strand: chain 'k' and resid 77 through 83 removed outlier: 6.283A pdb=" N CYS k 48 " --> pdb=" O LEU k 82 " (cutoff:3.500A) removed outlier: 4.971A pdb=" N GLU k 47 " --> pdb=" O GLN k 33 " (cutoff:3.500A) removed outlier: 4.418A pdb=" N GLN k 33 " --> pdb=" O GLU k 47 " (cutoff:3.500A) removed outlier: 4.636A pdb=" N TYR k 18 " --> pdb=" O LEU k 34 " (cutoff:3.500A) removed outlier: 7.070A pdb=" N LYS k 19 " --> pdb=" O GLU k 98 " (cutoff:3.500A) Processing sheet with id=113, first strand: chain 'i' and resid 27 through 30 removed outlier: 6.720A pdb=" N GLY i 36 " --> pdb=" O VAL i 62 " (cutoff:3.500A) Processing sheet with id=114, first strand: chain 'h' and resid 56 through 59 removed outlier: 4.758A pdb=" N THR h 36 " --> pdb=" O LEU h 31 " (cutoff:3.500A) removed outlier: 3.760A pdb=" N LEU h 31 " --> pdb=" O THR h 36 " (cutoff:3.500A) removed outlier: 3.593A pdb=" N VAL h 29 " --> pdb=" O TYR h 38 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N TYR h 80 " --> pdb=" O LYS h 30 " (cutoff:3.500A) Processing sheet with id=115, first strand: chain 'j' and resid 43 through 46 removed outlier: 4.789A pdb=" N MET j 44 " --> pdb=" O ALA j 26 " (cutoff:3.500A) removed outlier: 4.022A pdb=" N ILE j 46 " --> pdb=" O LYS j 24 " (cutoff:3.500A) removed outlier: 5.734A pdb=" N LYS j 24 " --> pdb=" O ILE j 46 " (cutoff:3.500A) removed outlier: 7.296A pdb=" N LYS j 14 " --> pdb=" O LEU j 74 " (cutoff:3.500A) Processing sheet with id=116, first strand: chain 'l' and resid 42 through 45 Processing sheet with id=117, first strand: chain 'l' and resid 55 through 60 removed outlier: 4.601A pdb=" N ALA l 55 " --> pdb=" O GLU l 51 " (cutoff:3.500A) removed outlier: 5.772A pdb=" N ASP l 46 " --> pdb=" O LYS l 32 " (cutoff:3.500A) removed outlier: 5.565A pdb=" N LYS l 32 " --> pdb=" O ASP l 46 " (cutoff:3.500A) removed outlier: 4.897A pdb=" N HIS l 17 " --> pdb=" O LEU l 33 " (cutoff:3.500A) Processing sheet with id=118, first strand: chain 'm' and resid 79 through 82 removed outlier: 4.686A pdb=" N THR m 23 " --> pdb=" O LEU m 19 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N LEU m 19 " --> pdb=" O THR m 23 " (cutoff:3.500A) Processing sheet with id=119, first strand: chain 'g' and resid 86 through 91 removed outlier: 3.577A pdb=" N ARG g 89 " --> pdb=" O GLU g 74 " (cutoff:3.500A) removed outlier: 4.208A pdb=" N HIS g 52 " --> pdb=" O LEU g 48 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N LEU g 48 " --> pdb=" O HIS g 52 " (cutoff:3.500A) 4420 hydrogen bonds defined for protein. 13083 hydrogen bond angles defined for protein. Restraints generated for nucleic acids: 223 hydrogen bonds 400 hydrogen bond angles 0 basepair planarities 93 basepair parallelities 172 stacking parallelities Total time for adding SS restraints: 62.12 Time building geometry restraints manager: 37.08 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.15 - 1.52: 81358 1.52 - 1.89: 33389 1.89 - 2.25: 0 2.25 - 2.62: 0 2.62 - 2.99: 1 Bond restraints: 114748 Sorted by residual: bond pdb=" C ALA q 247 " pdb=" N ARG q 256 " ideal model delta sigma weight residual 1.335 2.989 -1.653 1.97e-02 2.58e+03 7.04e+03 bond pdb=" CA GLY F1226 " pdb=" C GLY F1226 " ideal model delta sigma weight residual 1.513 1.427 0.086 1.09e-02 8.42e+03 6.25e+01 bond pdb=" C ILE T 121 " pdb=" O ILE T 121 " ideal model delta sigma weight residual 1.236 1.158 0.078 1.19e-02 7.06e+03 4.35e+01 bond pdb=" C PRO A1384 " pdb=" O PRO A1384 " ideal model delta sigma weight residual 1.243 1.188 0.055 8.50e-03 1.38e+04 4.23e+01 bond pdb=" C3' A M 468 " pdb=" O3' A M 468 " ideal model delta sigma weight residual 1.417 1.513 -0.096 1.50e-02 4.44e+03 4.07e+01 ... (remaining 114743 not shown) Histogram of bond angle deviations from ideal: 84.57 - 95.87: 15 95.87 - 107.17: 6791 107.17 - 118.47: 87144 118.47 - 129.77: 62041 129.77 - 141.07: 897 Bond angle restraints: 156888 Sorted by residual: angle pdb=" O ALA q 247 " pdb=" C ALA q 247 " pdb=" N ARG q 256 " ideal model delta sigma weight residual 122.59 84.57 38.02 1.33e+00 5.65e-01 8.17e+02 angle pdb=" C4' A M 468 " pdb=" C3' A M 468 " pdb=" O3' A M 468 " ideal model delta sigma weight residual 113.00 89.89 23.11 1.50e+00 4.44e-01 2.37e+02 angle pdb=" C LEU Z 397 " pdb=" N PRO Z 398 " pdb=" CA PRO Z 398 " ideal model delta sigma weight residual 119.84 137.12 -17.28 1.25e+00 6.40e-01 1.91e+02 angle pdb=" C ALA q 247 " pdb=" N ARG q 256 " pdb=" CA ARG q 256 " ideal model delta sigma weight residual 120.17 141.07 -20.90 1.54e+00 4.22e-01 1.84e+02 angle pdb=" C PRO G 680 " pdb=" N PRO G 681 " pdb=" CA PRO G 681 " ideal model delta sigma weight residual 119.84 136.32 -16.48 1.25e+00 6.40e-01 1.74e+02 ... (remaining 156883 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 35.68: 68281 35.68 - 71.36: 1725 71.36 - 107.04: 133 107.04 - 142.72: 38 142.72 - 178.40: 17 Dihedral angle restraints: 70194 sinusoidal: 30208 harmonic: 39986 Sorted by residual: dihedral pdb=" CA GLY O 351 " pdb=" C GLY O 351 " pdb=" N ILE O 352 " pdb=" CA ILE O 352 " ideal model delta harmonic sigma weight residual 180.00 47.96 132.04 0 5.00e+00 4.00e-02 6.97e+02 dihedral pdb=" CA GLY n 67 " pdb=" C GLY n 67 " pdb=" N PRO n 68 " pdb=" CA PRO n 68 " ideal model delta harmonic sigma weight residual -180.00 -50.89 -129.11 0 5.00e+00 4.00e-02 6.67e+02 dihedral pdb=" CA LYS F1014 " pdb=" C LYS F1014 " pdb=" N LEU F1015 " pdb=" CA LEU F1015 " ideal model delta harmonic sigma weight residual -180.00 -51.41 -128.59 0 5.00e+00 4.00e-02 6.61e+02 ... (remaining 70191 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.116: 15577 0.116 - 0.232: 2471 0.232 - 0.347: 210 0.347 - 0.463: 29 0.463 - 0.579: 9 Chirality restraints: 18296 Sorted by residual: chirality pdb=" CA GLU R 217 " pdb=" N GLU R 217 " pdb=" C GLU R 217 " pdb=" CB GLU R 217 " both_signs ideal model delta sigma weight residual False 2.51 1.93 0.58 2.00e-01 2.50e+01 8.38e+00 chirality pdb=" CA LYS g 82 " pdb=" N LYS g 82 " pdb=" C LYS g 82 " pdb=" CB LYS g 82 " both_signs ideal model delta sigma weight residual False 2.51 1.94 0.57 2.00e-01 2.50e+01 8.16e+00 chirality pdb=" CA ILE I 16 " pdb=" N ILE I 16 " pdb=" C ILE I 16 " pdb=" CB ILE I 16 " both_signs ideal model delta sigma weight residual False 2.43 1.89 0.55 2.00e-01 2.50e+01 7.51e+00 ... (remaining 18293 not shown) Planarity restraints: 18704 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CA ALA q 247 " 0.167 2.00e-02 2.50e+03 2.29e-01 5.23e+02 pdb=" C ALA q 247 " -0.387 2.00e-02 2.50e+03 pdb=" O ALA q 247 " 0.171 2.00e-02 2.50e+03 pdb=" N ARG q 256 " 0.049 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" C ASN I 55 " -0.143 5.00e-02 4.00e+02 2.24e-01 8.05e+01 pdb=" N PRO I 56 " 0.387 5.00e-02 4.00e+02 pdb=" CA PRO I 56 " -0.151 5.00e-02 4.00e+02 pdb=" CD PRO I 56 " -0.092 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" CA PRO G 680 " 0.038 2.00e-02 2.50e+03 7.90e-02 6.24e+01 pdb=" C PRO G 680 " -0.137 2.00e-02 2.50e+03 pdb=" O PRO G 680 " 0.051 2.00e-02 2.50e+03 pdb=" N PRO G 681 " 0.047 2.00e-02 2.50e+03 ... (remaining 18701 not shown) Histogram of nonbonded interaction distances: 1.30 - 2.02: 35 2.02 - 2.74: 12120 2.74 - 3.46: 160788 3.46 - 4.18: 268827 4.18 - 4.90: 458419 Nonbonded interactions: 900189 Sorted by model distance: nonbonded pdb=" CB ALA Y 658 " pdb=" CB CYS Y 778 " model vdw 1.303 3.860 nonbonded pdb=" O ARG R 63 " pdb=" OD1 ASP R 67 " model vdw 1.434 3.040 nonbonded pdb=" OE1 GLU A2405 " pdb=" OG1 THR B 833 " model vdw 1.593 2.440 nonbonded pdb=" O LEU A 330 " pdb=" OG SER A 335 " model vdw 1.629 2.440 nonbonded pdb=" O THR W 207 " pdb=" CD1 LEU W 214 " model vdw 1.684 3.460 ... (remaining 900184 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 'o' and (resid 1 through 58 or (resid 59 through 60 and (name N or name C \ A or name C or name O or name CB )) or resid 61 through 63 or (resid 64 through \ 65 and (name N or name CA or name C or name O or name CB )) or resid 77 through \ 139)) selection = (chain 'p' and (resid 1 through 51 or resid 57 through 58 or (resid 59 through 6 \ 0 and (name N or name CA or name C or name O or name CB )) or resid 61 through 6 \ 3 or (resid 64 through 65 and (name N or name CA or name C or name O or name CB \ )) or resid 77 through 139)) selection = (chain 'r' and (resid 1 through 51 or resid 57 through 139)) } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as 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: 2.270 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.010 Construct map_model_manager: 0.060 Extract box with map and model: 17.590 Check model and map are aligned: 1.210 Set scattering table: 0.780 Process input model: 323.430 Find NCS groups from input model: 3.150 Set up NCS constraints: 0.390 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: 0.030 Load rotamer database and sin/cos tables:2.420 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 351.340 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8032 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 1.653 114748 Z= 0.800 Angle : 1.328 38.017 156888 Z= 0.806 Chirality : 0.084 0.579 18296 Planarity : 0.008 0.229 18704 Dihedral : 15.146 178.396 44090 Min Nonbonded Distance : 1.303 Molprobity Statistics. All-atom Clashscore : 18.95 Ramachandran Plot: Outliers : 1.24 % Allowed : 6.62 % Favored : 92.13 % Rotamer: Outliers : 3.36 % Allowed : 3.85 % Favored : 92.79 % Cbeta Deviations : 0.08 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 2.40 % Twisted General : 0.30 % 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: -3.54 (0.06), residues: 12546 helix: -2.67 (0.06), residues: 4942 sheet: -1.92 (0.10), residues: 1816 loop : -2.06 (0.07), residues: 5788 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.066 0.007 TRP I 78 HIS 0.031 0.003 HIS A 194 PHE 0.061 0.006 PHE F1194 TYR 0.057 0.006 TYR a 155 ARG 0.033 0.002 ARG F 952 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25092 Ramachandran restraints generated. 12546 Oldfield, 0 Emsley, 12546 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25092 Ramachandran restraints generated. 12546 Oldfield, 0 Emsley, 12546 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2910 residues out of total 11568 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 390 poor density : 2520 time to evaluate : 9.068 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 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