Starting phenix.real_space_refine on Sun Mar 10 20:25:40 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6v6s_21073/03_2024/6v6s_21073_neut_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6v6s_21073/03_2024/6v6s_21073.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=4.3 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6v6s_21073/03_2024/6v6s_21073.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6v6s_21073/03_2024/6v6s_21073.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6v6s_21073/03_2024/6v6s_21073_neut_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6v6s_21073/03_2024/6v6s_21073_neut_updated.pdb" } resolution = 4.3 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.000 sd= 0.003 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: 5 Type Number sf(0) Gaussians P 30 5.49 5 S 511 5.16 5 C 67698 2.51 5 N 18548 2.21 5 O 19635 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A GLU 286": "OE1" <-> "OE2" Residue "A ARG 325": "NH1" <-> "NH2" Residue "A ARG 343": "NH1" <-> "NH2" Residue "A GLU 402": "OE1" <-> "OE2" Residue "A ARG 425": "NH1" <-> "NH2" Residue "A GLU 439": "OE1" <-> "OE2" Residue "A ARG 510": "NH1" <-> "NH2" Residue "A GLU 534": "OE1" <-> "OE2" Residue "A GLU 565": "OE1" <-> "OE2" Residue "A GLU 566": "OE1" <-> "OE2" Residue "A ARG 578": "NH1" <-> "NH2" Residue "A GLU 580": "OE1" <-> "OE2" Residue "A ARG 660": "NH1" <-> "NH2" Residue "A ARG 671": "NH1" <-> "NH2" Residue "A ARG 713": "NH1" <-> "NH2" Residue "A GLU 731": "OE1" <-> "OE2" Residue "A GLU 738": "OE1" <-> "OE2" Residue "A ARG 886": "NH1" <-> "NH2" Residue "B GLU 247": "OE1" <-> "OE2" Residue "B ARG 285": "NH1" <-> "NH2" Residue "B ARG 337": "NH1" <-> "NH2" Residue "B ARG 366": "NH1" <-> "NH2" Residue "B ARG 391": "NH1" <-> "NH2" Residue "B GLU 440": "OE1" <-> "OE2" Residue "B ARG 619": "NH1" <-> "NH2" Residue "B ARG 624": "NH1" <-> "NH2" Residue "B GLU 627": "OE1" <-> "OE2" Residue "B ARG 654": "NH1" <-> "NH2" Residue "B ARG 692": "NH1" <-> "NH2" Residue "B GLU 725": "OE1" <-> "OE2" Residue "B GLU 784": "OE1" <-> "OE2" Residue "B GLU 798": "OE1" <-> "OE2" Residue "B ARG 802": "NH1" <-> "NH2" Residue "B ARG 803": "NH1" <-> "NH2" Residue "B GLU 827": "OE1" <-> "OE2" Residue "B ARG 879": "NH1" <-> "NH2" Residue "C ARG 325": "NH1" <-> "NH2" Residue "C ARG 343": "NH1" <-> "NH2" Residue "C ARG 425": "NH1" <-> "NH2" Residue "C GLU 439": "OE1" <-> "OE2" Residue "C GLU 502": "OE1" <-> "OE2" Residue "C ARG 510": "NH1" <-> "NH2" Residue "C TYR 512": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C GLU 534": "OE1" <-> "OE2" Residue "C GLU 565": "OE1" <-> "OE2" Residue "C ARG 578": "NH1" <-> "NH2" Residue "C GLU 580": "OE1" <-> "OE2" Residue "C ARG 660": "NH1" <-> "NH2" Residue "C ARG 671": "NH1" <-> "NH2" Residue "C ARG 713": "NH1" <-> "NH2" Residue "C GLU 728": "OE1" <-> "OE2" Residue "C GLU 731": "OE1" <-> "OE2" Residue "C GLU 738": "OE1" <-> "OE2" Residue "C ARG 886": "NH1" <-> "NH2" Residue "D GLU 247": "OE1" <-> "OE2" Residue "D ARG 285": "NH1" <-> "NH2" Residue "D ARG 337": "NH1" <-> "NH2" Residue "D ARG 366": "NH1" <-> "NH2" Residue "D ARG 391": "NH1" <-> "NH2" Residue "D GLU 440": "OE1" <-> "OE2" Residue "D ARG 619": "NH1" <-> "NH2" Residue "D ARG 624": "NH1" <-> "NH2" Residue "D GLU 627": "OE1" <-> "OE2" Residue "D ARG 654": "NH1" <-> "NH2" Residue "D ARG 692": "NH1" <-> "NH2" Residue "D GLU 725": "OE1" <-> "OE2" Residue "D GLU 784": "OE1" <-> "OE2" Residue "D GLU 798": "OE1" <-> "OE2" Residue "D ARG 802": "NH1" <-> "NH2" Residue "D ARG 803": "NH1" <-> "NH2" Residue "D GLU 827": "OE1" <-> "OE2" Residue "D ARG 879": "NH1" <-> "NH2" Residue "E GLU 286": "OE1" <-> "OE2" Residue "E PHE 304": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ARG 325": "NH1" <-> "NH2" Residue "E ARG 343": "NH1" <-> "NH2" Residue "E GLU 402": "OE1" <-> "OE2" Residue "E ARG 425": "NH1" <-> "NH2" Residue "E GLU 439": "OE1" <-> "OE2" Residue "E ARG 510": "NH1" <-> "NH2" Residue "E GLU 534": "OE1" <-> "OE2" Residue "E GLU 565": "OE1" <-> "OE2" Residue "E GLU 566": "OE1" <-> "OE2" Residue "E ARG 578": "NH1" <-> "NH2" Residue "E GLU 580": "OE1" <-> "OE2" Residue "E ARG 660": "NH1" <-> "NH2" Residue "E ARG 671": "NH1" <-> "NH2" Residue "E ARG 713": "NH1" <-> "NH2" Residue "E GLU 731": "OE1" <-> "OE2" Residue "E GLU 738": "OE1" <-> "OE2" Residue "E ARG 886": "NH1" <-> "NH2" Residue "F GLU 247": "OE1" <-> "OE2" Residue "F ARG 285": "NH1" <-> "NH2" Residue "F ARG 337": "NH1" <-> "NH2" Residue "F ARG 366": "NH1" <-> "NH2" Residue "F ARG 391": "NH1" <-> "NH2" Residue "F TYR 403": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 440": "OE1" <-> "OE2" Residue "F ARG 619": "NH1" <-> "NH2" Residue "F ARG 624": "NH1" <-> "NH2" Residue "F GLU 627": "OE1" <-> "OE2" Residue "F ARG 654": "NH1" <-> "NH2" Residue "F ARG 692": "NH1" <-> "NH2" Residue "F GLU 725": "OE1" <-> "OE2" Residue "F GLU 784": "OE1" <-> "OE2" Residue "F GLU 798": "OE1" <-> "OE2" Residue "F ARG 802": "NH1" <-> "NH2" Residue "F ARG 803": "NH1" <-> "NH2" Residue "F GLU 827": "OE1" <-> "OE2" Residue "F ARG 879": "NH1" <-> "NH2" Residue "G ARG 325": "NH1" <-> "NH2" Residue "G ARG 343": "NH1" <-> "NH2" Residue "G ARG 425": "NH1" <-> "NH2" Residue "G GLU 439": "OE1" <-> "OE2" Residue "G ARG 510": "NH1" <-> "NH2" Residue "G TYR 512": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 534": "OE1" <-> "OE2" Residue "G GLU 565": "OE1" <-> "OE2" Residue "G ARG 578": "NH1" <-> "NH2" Residue "G GLU 580": "OE1" <-> "OE2" Residue "G ARG 660": "NH1" <-> "NH2" Residue "G ARG 671": "NH1" <-> "NH2" Residue "G ARG 713": "NH1" <-> "NH2" Residue "G GLU 728": "OE1" <-> "OE2" Residue "G GLU 731": "OE1" <-> "OE2" Residue "G GLU 738": "OE1" <-> "OE2" Residue "G ARG 886": "NH1" <-> "NH2" Residue "H GLU 247": "OE1" <-> "OE2" Residue "H ARG 252": "NH1" <-> "NH2" Residue "H ARG 285": "NH1" <-> "NH2" Residue "H ARG 315": "NH1" <-> "NH2" Residue "H ARG 337": "NH1" <-> "NH2" Residue "H ARG 366": "NH1" <-> "NH2" Residue "H ARG 391": "NH1" <-> "NH2" Residue "H GLU 440": "OE1" <-> "OE2" Residue "H ARG 606": "NH1" <-> "NH2" Residue "H ARG 619": "NH1" <-> "NH2" Residue "H ARG 624": "NH1" <-> "NH2" Residue "H GLU 627": "OE1" <-> "OE2" Residue "H ARG 654": "NH1" <-> "NH2" Residue "H ARG 692": "NH1" <-> "NH2" Residue "H GLU 725": "OE1" <-> "OE2" Residue "H GLU 784": "OE1" <-> "OE2" Residue "H GLU 798": "OE1" <-> "OE2" Residue "H ARG 802": "NH1" <-> "NH2" Residue "H ARG 803": "NH1" <-> "NH2" Residue "H GLU 827": "OE1" <-> "OE2" Residue "H ARG 879": "NH1" <-> "NH2" Residue "I GLU 108": "OE1" <-> "OE2" Residue "I GLU 201": "OE1" <-> "OE2" Residue "I ARG 271": "NH1" <-> "NH2" Residue "I GLU 472": "OE1" <-> "OE2" Residue "I ARG 501": "NH1" <-> "NH2" Residue "I ARG 515": "NH1" <-> "NH2" Residue "I ARG 517": "NH1" <-> "NH2" Residue "I ARG 606": "NH1" <-> "NH2" Residue "I ARG 647": "NH1" <-> "NH2" Residue "J ARG 272": "NH1" <-> "NH2" Residue "J GLU 381": "OE1" <-> "OE2" Residue "J ARG 405": "NH1" <-> "NH2" Residue "J ARG 428": "NH1" <-> "NH2" Residue "J ARG 432": "NH1" <-> "NH2" Residue "J GLU 467": "OE1" <-> "OE2" Residue "J ARG 715": "NH1" <-> "NH2" Residue "J ARG 724": "NH1" <-> "NH2" Residue "J ARG 887": "NH1" <-> "NH2" Residue "J GLU 912": "OE1" <-> "OE2" Residue "J ARG 944": "NH1" <-> "NH2" Residue "K GLU 38": "OE1" <-> "OE2" Residue "K GLU 108": "OE1" <-> "OE2" Residue "K GLU 173": "OE1" <-> "OE2" Residue "K GLU 201": "OE1" <-> "OE2" Residue "K ARG 271": "NH1" <-> "NH2" Residue "K GLU 274": "OE1" <-> "OE2" Residue "K GLU 281": "OE1" <-> "OE2" Residue "K GLU 490": "OE1" <-> "OE2" Residue "K ARG 501": "NH1" <-> "NH2" Residue "K ARG 515": "NH1" <-> "NH2" Residue "K ARG 517": "NH1" <-> "NH2" Residue "K GLU 584": "OE1" <-> "OE2" Residue "K ARG 606": "NH1" <-> "NH2" Residue "K ARG 647": "NH1" <-> "NH2" Residue "L GLU 508": "OE1" <-> "OE2" Residue "L ARG 1478": "NH1" <-> "NH2" Residue "L GLU 1502": "OE1" <-> "OE2" Residue "L GLU 1510": "OE1" <-> "OE2" Residue "L ARG 1513": "NH1" <-> "NH2" Residue "L GLU 1533": "OE1" <-> "OE2" Residue "L GLU 1595": "OE1" <-> "OE2" Residue "L ARG 1801": "NH1" <-> "NH2" Residue "M ARG 325": "NH1" <-> "NH2" Residue "M ARG 343": "NH1" <-> "NH2" Residue "M ARG 425": "NH1" <-> "NH2" Residue "M GLU 439": "OE1" <-> "OE2" Residue "M ARG 510": "NH1" <-> "NH2" Residue "M GLU 534": "OE1" <-> "OE2" Residue "M GLU 565": "OE1" <-> "OE2" Residue "M ARG 578": "NH1" <-> "NH2" Residue "M GLU 580": "OE1" <-> "OE2" Residue "M ARG 660": "NH1" <-> "NH2" Residue "M ARG 671": "NH1" <-> "NH2" Residue "M ARG 713": "NH1" <-> "NH2" Residue "M GLU 728": "OE1" <-> "OE2" Residue "M GLU 731": "OE1" <-> "OE2" Residue "M GLU 738": "OE1" <-> "OE2" Residue "M ARG 886": "NH1" <-> "NH2" Residue "a ARG 3": "NH1" <-> "NH2" Residue "a GLU 20": "OE1" <-> "OE2" Residue "a GLU 34": "OE1" <-> "OE2" Residue "a GLU 116": "OE1" <-> "OE2" Residue "a GLU 342": "OE1" <-> "OE2" Residue "a ARG 343": "NH1" <-> "NH2" Residue "a ARG 362": "NH1" <-> "NH2" Residue "a TYR 366": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ARG 393": "NH1" <-> "NH2" Residue "a ARG 440": "NH1" <-> "NH2" Residue "b ARG 3": "NH1" <-> "NH2" Residue "b GLU 116": "OE1" <-> "OE2" Residue "b GLU 155": "OE1" <-> "OE2" Residue "b ARG 343": "NH1" <-> "NH2" Residue "b ARG 362": "NH1" <-> "NH2" Residue "b ARG 393": "NH1" <-> "NH2" Residue "b ARG 440": "NH1" <-> "NH2" Residue "c ARG 3": "NH1" <-> "NH2" Residue "c GLU 34": "OE1" <-> "OE2" Residue "c TYR 248": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c GLU 327": "OE1" <-> "OE2" Residue "c ARG 343": "NH1" <-> "NH2" Residue "c PHE 348": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ARG 362": "NH1" <-> "NH2" Residue "c GLU 389": "OE1" <-> "OE2" Residue "c ARG 393": "NH1" <-> "NH2" Residue "c GLU 434": "OE1" <-> "OE2" Residue "c ARG 440": "NH1" <-> "NH2" Residue "d ARG 3": "NH1" <-> "NH2" Residue "d GLU 116": "OE1" <-> "OE2" Residue "d GLU 155": "OE1" <-> "OE2" Residue "d ARG 343": "NH1" <-> "NH2" Residue "d ARG 362": "NH1" <-> "NH2" Residue "d ARG 393": "NH1" <-> "NH2" Residue "d ARG 440": "NH1" <-> "NH2" Residue "e ARG 3": "NH1" <-> "NH2" Residue "e GLU 20": "OE1" <-> "OE2" Residue "e GLU 34": "OE1" <-> "OE2" Residue "e TYR 248": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 342": "OE1" <-> "OE2" Residue "e ARG 343": "NH1" <-> "NH2" Residue "e ARG 362": "NH1" <-> "NH2" Residue "e ARG 393": "NH1" <-> "NH2" Residue "e ARG 440": "NH1" <-> "NH2" Residue "f ARG 3": "NH1" <-> "NH2" Residue "f GLU 116": "OE1" <-> "OE2" Residue "f GLU 155": "OE1" <-> "OE2" Residue "f TYR 248": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ARG 343": "NH1" <-> "NH2" Residue "f ARG 362": "NH1" <-> "NH2" Residue "f ARG 393": "NH1" <-> "NH2" Residue "f ARG 440": "NH1" <-> "NH2" Residue "g ARG 3": "NH1" <-> "NH2" Residue "g GLU 34": "OE1" <-> "OE2" Residue "g GLU 327": "OE1" <-> "OE2" Residue "g ARG 343": "NH1" <-> "NH2" Residue "g ARG 362": "NH1" <-> "NH2" Residue "g GLU 389": "OE1" <-> "OE2" Residue "g ARG 393": "NH1" <-> "NH2" Residue "g GLU 434": "OE1" <-> "OE2" Residue "g ARG 440": "NH1" <-> "NH2" Residue "h ARG 3": "NH1" <-> "NH2" Residue "h GLU 116": "OE1" <-> "OE2" Residue "h GLU 155": "OE1" <-> "OE2" Residue "h ARG 343": "NH1" <-> "NH2" Residue "h ARG 362": "NH1" <-> "NH2" Residue "h ARG 393": "NH1" <-> "NH2" Residue "h ARG 440": "NH1" <-> "NH2" Residue "i ARG 3": "NH1" <-> "NH2" Residue "i GLU 28": "OE1" <-> "OE2" Residue "i ARG 339": "NH1" <-> "NH2" Residue "i ARG 343": "NH1" <-> "NH2" Residue "i ARG 362": "NH1" <-> "NH2" Residue "i GLU 389": "OE1" <-> "OE2" Residue "i ARG 393": "NH1" <-> "NH2" Residue "i ARG 440": "NH1" <-> "NH2" Residue "j ARG 3": "NH1" <-> "NH2" Residue "j GLU 28": "OE1" <-> "OE2" Residue "j GLU 116": "OE1" <-> "OE2" Residue "j GLU 155": "OE1" <-> "OE2" Residue "j ARG 343": "NH1" <-> "NH2" Residue "j ARG 362": "NH1" <-> "NH2" Residue "j ARG 393": "NH1" <-> "NH2" Residue "j ARG 440": "NH1" <-> "NH2" Residue "k ARG 3": "NH1" <-> "NH2" Residue "k GLU 34": "OE1" <-> "OE2" Residue "k GLU 342": "OE1" <-> "OE2" Residue "k ARG 343": "NH1" <-> "NH2" Residue "k ARG 362": "NH1" <-> "NH2" Residue "k ARG 393": "NH1" <-> "NH2" Residue "k ARG 440": "NH1" <-> "NH2" Residue "l ARG 3": "NH1" <-> "NH2" Residue "l GLU 116": "OE1" <-> "OE2" Residue "l GLU 342": "OE1" <-> "OE2" Residue "l ARG 343": "NH1" <-> "NH2" Residue "l ARG 362": "NH1" <-> "NH2" Residue "l ARG 393": "NH1" <-> "NH2" Residue "l ARG 440": "NH1" <-> "NH2" Residue "m ARG 3": "NH1" <-> "NH2" Residue "m GLU 34": "OE1" <-> "OE2" Residue "m TYR 248": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m GLU 327": "OE1" <-> "OE2" Residue "m ARG 343": "NH1" <-> "NH2" Residue "m PHE 348": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m ARG 362": "NH1" <-> "NH2" Residue "m GLU 389": "OE1" <-> "OE2" Residue "m ARG 393": "NH1" <-> "NH2" Residue "m GLU 434": "OE1" <-> "OE2" Residue "m ARG 440": "NH1" <-> "NH2" Time to flip residues: 0.25s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib" Total number of atoms: 106422 Number of models: 1 Model: "" Number of chains: 53 Chain: "A" Number of atoms: 4371 Number of conformers: 1 Conformer: "" Number of residues, atoms: 539, 4371 Classifications: {'peptide': 539} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 16, 'TRANS': 522} Chain breaks: 8 Unresolved non-hydrogen bonds: 17 Unresolved non-hydrogen angles: 22 Unresolved non-hydrogen dihedrals: 15 Unresolved non-hydrogen chiralities: 2 Planarities with less than four sites: {'TYR:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "B" Number of atoms: 4744 Number of conformers: 1 Conformer: "" Number of residues, atoms: 572, 4744 Classifications: {'peptide': 572} Link IDs: {'PTRANS': 11, 'TRANS': 560} Chain breaks: 9 Chain: "C" Number of atoms: 4371 Number of conformers: 1 Conformer: "" Number of residues, atoms: 539, 4371 Classifications: {'peptide': 539} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 16, 'TRANS': 522} Chain breaks: 8 Unresolved non-hydrogen bonds: 17 Unresolved non-hydrogen angles: 22 Unresolved non-hydrogen dihedrals: 15 Unresolved non-hydrogen chiralities: 2 Planarities with less than four sites: {'TYR:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "D" Number of atoms: 4744 Number of conformers: 1 Conformer: "" Number of residues, atoms: 572, 4744 Classifications: {'peptide': 572} Link IDs: {'PTRANS': 11, 'TRANS': 560} Chain breaks: 9 Chain: "E" Number of atoms: 4371 Number of conformers: 1 Conformer: "" Number of residues, atoms: 539, 4371 Classifications: {'peptide': 539} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 16, 'TRANS': 522} Chain breaks: 8 Unresolved non-hydrogen bonds: 17 Unresolved non-hydrogen angles: 22 Unresolved non-hydrogen dihedrals: 15 Unresolved non-hydrogen chiralities: 2 Planarities with less than four sites: {'TYR:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "F" Number of atoms: 4744 Number of conformers: 1 Conformer: "" Number of residues, atoms: 572, 4744 Classifications: {'peptide': 572} Link IDs: {'PTRANS': 11, 'TRANS': 560} Chain breaks: 9 Chain: "G" Number of atoms: 4371 Number of conformers: 1 Conformer: "" Number of residues, atoms: 539, 4371 Classifications: {'peptide': 539} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 16, 'TRANS': 522} Chain breaks: 8 Unresolved non-hydrogen bonds: 17 Unresolved non-hydrogen angles: 22 Unresolved non-hydrogen dihedrals: 15 Unresolved non-hydrogen chiralities: 2 Planarities with less than four sites: {'TYR:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "H" Number of atoms: 4744 Number of conformers: 1 Conformer: "" Number of residues, atoms: 572, 4744 Classifications: {'peptide': 572} Link IDs: {'PTRANS': 11, 'TRANS': 560} Chain breaks: 9 Chain: "I" Number of atoms: 4376 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 543, 4361 Classifications: {'peptide': 543} Incomplete info: {'truncation_to_alanine': 12} Link IDs: {'PTRANS': 18, 'TRANS': 524} Chain breaks: 6 Unresolved non-hydrogen bonds: 77 Unresolved non-hydrogen angles: 94 Unresolved non-hydrogen dihedrals: 68 Unresolved non-hydrogen chiralities: 2 Planarities with less than four sites: {'GLN:plan1': 2, 'TYR:plan': 1, 'ASN:plan1': 2, 'HIS:plan': 1, 'GLU:plan': 3, 'ARG:plan': 2} Unresolved non-hydrogen planarities: 47 Conformer: "B" Number of residues, atoms: 543, 4361 Classifications: {'peptide': 543} Incomplete info: {'truncation_to_alanine': 12} Link IDs: {'PTRANS': 18, 'TRANS': 524} Chain breaks: 6 Unresolved non-hydrogen bonds: 77 Unresolved non-hydrogen angles: 94 Unresolved non-hydrogen dihedrals: 68 Unresolved non-hydrogen chiralities: 2 Planarities with less than four sites: {'GLN:plan1': 2, 'TYR:plan': 1, 'ASN:plan1': 2, 'HIS:plan': 1, 'GLU:plan': 3, 'ARG:plan': 2} Unresolved non-hydrogen planarities: 47 bond proxies already assigned to first conformer: 4443 Chain: "J" Number of atoms: 3977 Number of conformers: 1 Conformer: "" Number of residues, atoms: 484, 3977 Classifications: {'peptide': 484} Incomplete info: {'truncation_to_alanine': 6} Link IDs: {'PTRANS': 9, 'TRANS': 474} Chain breaks: 13 Unresolved non-hydrogen bonds: 27 Unresolved non-hydrogen angles: 34 Unresolved non-hydrogen dihedrals: 22 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 1, 'ARG:plan': 1, 'PHE:plan': 1, 'ASP:plan': 2} Unresolved non-hydrogen planarities: 25 Chain: "K" Number of atoms: 4376 Number of conformers: 2 Conformer: "A" Number of residues, atoms: 543, 4361 Classifications: {'peptide': 543} Incomplete info: {'truncation_to_alanine': 12} Link IDs: {'PTRANS': 18, 'TRANS': 524} Chain breaks: 6 Unresolved non-hydrogen bonds: 77 Unresolved non-hydrogen angles: 94 Unresolved non-hydrogen dihedrals: 68 Unresolved non-hydrogen chiralities: 2 Planarities with less than four sites: {'GLN:plan1': 2, 'TYR:plan': 1, 'ASN:plan1': 2, 'HIS:plan': 1, 'GLU:plan': 3, 'ARG:plan': 2} Unresolved non-hydrogen planarities: 47 Conformer: "B" Number of residues, atoms: 543, 4361 Classifications: {'peptide': 543} Incomplete info: {'truncation_to_alanine': 12} Link IDs: {'PTRANS': 18, 'TRANS': 524} Chain breaks: 6 Unresolved non-hydrogen bonds: 77 Unresolved non-hydrogen angles: 94 Unresolved non-hydrogen dihedrals: 68 Unresolved non-hydrogen chiralities: 2 Planarities with less than four sites: {'GLN:plan1': 2, 'TYR:plan': 1, 'ASN:plan1': 2, 'HIS:plan': 1, 'GLU:plan': 3, 'ARG:plan': 2} Unresolved non-hydrogen planarities: 47 bond proxies already assigned to first conformer: 4443 Chain: "L" Number of atoms: 4007 Number of conformers: 1 Conformer: "" Number of residues, atoms: 497, 4007 Classifications: {'peptide': 497} Incomplete info: {'backbone_only': 1, 'truncation_to_alanine': 8} Link IDs: {'PTRANS': 17, 'TRANS': 479} Chain breaks: 12 Unresolved non-hydrogen bonds: 31 Unresolved non-hydrogen angles: 38 Unresolved non-hydrogen dihedrals: 24 Unresolved non-hydrogen chiralities: 5 Planarities with less than four sites: {'GLN:plan1': 1, 'ARG:plan': 1} Unresolved non-hydrogen planarities: 9 Chain: "M" Number of atoms: 4371 Number of conformers: 1 Conformer: "" Number of residues, atoms: 539, 4371 Classifications: {'peptide': 539} Incomplete info: {'truncation_to_alanine': 4} Link IDs: {'PTRANS': 16, 'TRANS': 522} Chain breaks: 8 Unresolved non-hydrogen bonds: 17 Unresolved non-hydrogen angles: 22 Unresolved non-hydrogen dihedrals: 15 Unresolved non-hydrogen chiralities: 2 Planarities with less than four sites: {'TYR:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "N" Number of atoms: 175 Number of conformers: 1 Conformer: "" Number of residues, atoms: 35, 175 Classifications: {'peptide': 35} Incomplete info: {'truncation_to_alanine': 35} Link IDs: {'TRANS': 34} Chain breaks: 1 Unresolved non-hydrogen bonds: 70 Unresolved non-hydrogen angles: 105 Unresolved non-hydrogen dihedrals: 35 Planarities with less than four sites: {'UNK:plan-1': 35} Unresolved non-hydrogen planarities: 35 Chain: "O" Number of atoms: 200 Number of conformers: 1 Conformer: "" Number of residues, atoms: 40, 200 Classifications: {'peptide': 40} Incomplete info: {'truncation_to_alanine': 40} Link IDs: {'TRANS': 39} Chain breaks: 1 Unresolved non-hydrogen bonds: 80 Unresolved non-hydrogen angles: 120 Unresolved non-hydrogen dihedrals: 40 Planarities with less than four sites: {'UNK:plan-1': 40} Unresolved non-hydrogen planarities: 40 Chain: "Q" Number of atoms: 190 Number of conformers: 1 Conformer: "" Number of residues, atoms: 38, 190 Classifications: {'peptide': 38} Incomplete info: {'truncation_to_alanine': 38} Link IDs: {'TRANS': 37} Chain breaks: 1 Unresolved non-hydrogen bonds: 76 Unresolved non-hydrogen angles: 114 Unresolved non-hydrogen dihedrals: 38 Planarities with less than four sites: {'UNK:plan-1': 38} Unresolved non-hydrogen planarities: 38 Chain: "R" Number of atoms: 195 Number of conformers: 1 Conformer: "" Number of residues, atoms: 39, 195 Classifications: {'peptide': 39} Incomplete info: {'truncation_to_alanine': 39} Link IDs: {'TRANS': 38} Chain breaks: 1 Unresolved non-hydrogen bonds: 78 Unresolved non-hydrogen angles: 117 Unresolved non-hydrogen dihedrals: 39 Planarities with less than four sites: {'UNK:plan-1': 39} Unresolved non-hydrogen planarities: 39 Chain: "S" Number of atoms: 200 Number of conformers: 1 Conformer: "" Number of residues, atoms: 40, 200 Classifications: {'peptide': 40} Incomplete info: {'truncation_to_alanine': 40} Link IDs: {'TRANS': 39} Chain breaks: 1 Unresolved non-hydrogen bonds: 80 Unresolved non-hydrogen angles: 120 Unresolved non-hydrogen dihedrals: 40 Planarities with less than four sites: {'UNK:plan-1': 40} Unresolved non-hydrogen planarities: 40 Chain: "T" Number of atoms: 2840 Number of conformers: 1 Conformer: "" Number of residues, atoms: 572, 2840 Classifications: {'peptide': 572} Incomplete info: {'truncation_to_alanine': 519} Link IDs: {'PTRANS': 11, 'TRANS': 560} Chain breaks: 9 Unresolved chain link angles: 11 Unresolved non-hydrogen bonds: 2009 Unresolved non-hydrogen angles: 2577 Unresolved non-hydrogen dihedrals: 1689 Unresolved non-hydrogen chiralities: 172 Planarities with less than four sites: {'GLN:plan1': 32, 'HIS:plan': 25, 'TYR:plan': 25, 'ASN:plan1': 17, 'TRP:plan': 8, 'ASP:plan': 36, 'PHE:plan': 28, 'GLU:plan': 37, 'ARG:plan': 42} Unresolved non-hydrogen planarities: 1185 Chain: "U" Number of atoms: 1795 Number of conformers: 1 Conformer: "" Number of residues, atoms: 364, 1795 Classifications: {'peptide': 364} Incomplete info: {'truncation_to_alanine': 310} Link IDs: {'PTRANS': 18, 'TRANS': 345} Chain breaks: 1 Unresolved chain link angles: 18 Unresolved non-hydrogen bonds: 1119 Unresolved non-hydrogen angles: 1433 Unresolved non-hydrogen dihedrals: 939 Unresolved non-hydrogen chiralities: 101 Planarities with less than four sites: {'GLN:plan1': 10, 'HIS:plan': 8, 'TYR:plan': 16, 'ASN:plan1': 9, 'TRP:plan': 4, 'ASP:plan': 21, 'PHE:plan': 12, 'GLU:plan': 29, 'ARG:plan': 18} Unresolved non-hydrogen planarities: 596 Chain: "V" Number of atoms: 310 Number of conformers: 1 Conformer: "" Number of residues, atoms: 62, 310 Classifications: {'peptide': 62} Incomplete info: {'truncation_to_alanine': 62} Link IDs: {'TRANS': 61} Chain breaks: 1 Unresolved non-hydrogen bonds: 124 Unresolved non-hydrogen angles: 186 Unresolved non-hydrogen dihedrals: 62 Planarities with less than four sites: {'UNK:plan-1': 62} Unresolved non-hydrogen planarities: 62 Chain: "W" Number of atoms: 775 Number of conformers: 1 Conformer: "" Number of residues, atoms: 155, 775 Classifications: {'peptide': 155} Incomplete info: {'truncation_to_alanine': 155} Link IDs: {'TRANS': 154} Chain breaks: 8 Unresolved non-hydrogen bonds: 310 Unresolved non-hydrogen angles: 465 Unresolved non-hydrogen dihedrals: 155 Planarities with less than four sites: {'UNK:plan-1': 155} Unresolved non-hydrogen planarities: 155 Chain: "X" Number of atoms: 1270 Number of conformers: 1 Conformer: "" Number of residues, atoms: 254, 1270 Classifications: {'peptide': 254} Incomplete info: {'truncation_to_alanine': 254} Link IDs: {'TRANS': 253} Chain breaks: 15 Unresolved non-hydrogen bonds: 508 Unresolved non-hydrogen angles: 762 Unresolved non-hydrogen dihedrals: 254 Planarities with less than four sites: {'UNK:plan-1': 254} Unresolved non-hydrogen planarities: 254 Chain: "Y" Number of atoms: 285 Number of conformers: 1 Conformer: "" Number of residues, atoms: 57, 285 Classifications: {'peptide': 57} Incomplete info: {'truncation_to_alanine': 57} Link IDs: {'TRANS': 56} Unresolved non-hydrogen bonds: 114 Unresolved non-hydrogen angles: 171 Unresolved non-hydrogen dihedrals: 57 Planarities with less than four sites: {'UNK:plan-1': 57} Unresolved non-hydrogen planarities: 57 Chain: "a" Number of atoms: 2951 Number of conformers: 1 Conformer: "" Number of residues, atoms: 369, 2951 Classifications: {'peptide': 369} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 16, 'TRANS': 352} Chain breaks: 11 Unresolved non-hydrogen bonds: 10 Unresolved non-hydrogen angles: 13 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLN:plan1': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "b" Number of atoms: 2951 Number of conformers: 1 Conformer: "" Number of residues, atoms: 369, 2951 Classifications: {'peptide': 369} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 16, 'TRANS': 352} Chain breaks: 11 Unresolved non-hydrogen bonds: 10 Unresolved non-hydrogen angles: 13 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLN:plan1': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "c" Number of atoms: 2951 Number of conformers: 1 Conformer: "" Number of residues, atoms: 369, 2951 Classifications: {'peptide': 369} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 16, 'TRANS': 352} Chain breaks: 11 Unresolved non-hydrogen bonds: 10 Unresolved non-hydrogen angles: 13 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLN:plan1': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "d" Number of atoms: 2951 Number of conformers: 1 Conformer: "" Number of residues, atoms: 369, 2951 Classifications: {'peptide': 369} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 16, 'TRANS': 352} Chain breaks: 11 Unresolved non-hydrogen bonds: 10 Unresolved non-hydrogen angles: 13 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLN:plan1': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "e" Number of atoms: 2951 Number of conformers: 1 Conformer: "" Number of residues, atoms: 369, 2951 Classifications: {'peptide': 369} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 16, 'TRANS': 352} Chain breaks: 11 Unresolved non-hydrogen bonds: 10 Unresolved non-hydrogen angles: 13 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLN:plan1': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "f" Number of atoms: 2951 Number of conformers: 1 Conformer: "" Number of residues, atoms: 369, 2951 Classifications: {'peptide': 369} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 16, 'TRANS': 352} Chain breaks: 11 Unresolved non-hydrogen bonds: 10 Unresolved non-hydrogen angles: 13 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLN:plan1': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "g" Number of atoms: 2951 Number of conformers: 1 Conformer: "" Number of residues, atoms: 369, 2951 Classifications: {'peptide': 369} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 16, 'TRANS': 352} Chain breaks: 11 Unresolved non-hydrogen bonds: 10 Unresolved non-hydrogen angles: 13 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLN:plan1': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "h" Number of atoms: 2951 Number of conformers: 1 Conformer: "" Number of residues, atoms: 369, 2951 Classifications: {'peptide': 369} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 16, 'TRANS': 352} Chain breaks: 11 Unresolved non-hydrogen bonds: 10 Unresolved non-hydrogen angles: 13 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLN:plan1': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "i" Number of atoms: 2951 Number of conformers: 1 Conformer: "" Number of residues, atoms: 369, 2951 Classifications: {'peptide': 369} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 16, 'TRANS': 352} Chain breaks: 11 Unresolved non-hydrogen bonds: 10 Unresolved non-hydrogen angles: 13 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLN:plan1': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "j" Number of atoms: 2951 Number of conformers: 1 Conformer: "" Number of residues, atoms: 369, 2951 Classifications: {'peptide': 369} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 16, 'TRANS': 352} Chain breaks: 11 Unresolved non-hydrogen bonds: 10 Unresolved non-hydrogen angles: 13 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLN:plan1': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "k" Number of atoms: 2955 Number of conformers: 1 Conformer: "" Number of residues, atoms: 370, 2955 Classifications: {'peptide': 370} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 16, 'TRANS': 353} Chain breaks: 10 Unresolved non-hydrogen bonds: 10 Unresolved non-hydrogen angles: 13 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLN:plan1': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "l" Number of atoms: 2955 Number of conformers: 1 Conformer: "" Number of residues, atoms: 370, 2955 Classifications: {'peptide': 370} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 16, 'TRANS': 353} Chain breaks: 10 Unresolved non-hydrogen bonds: 10 Unresolved non-hydrogen angles: 13 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLN:plan1': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "m" Number of atoms: 2951 Number of conformers: 1 Conformer: "" Number of residues, atoms: 369, 2951 Classifications: {'peptide': 369} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 16, 'TRANS': 352} Chain breaks: 11 Unresolved non-hydrogen bonds: 10 Unresolved non-hydrogen angles: 13 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLN:plan1': 1, 'ASP:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "t" Number of atoms: 1830 Number of conformers: 1 Conformer: "" Number of residues, atoms: 370, 1830 Classifications: {'peptide': 370} Incomplete info: {'truncation_to_alanine': 331} Link IDs: {'PTRANS': 16, 'TRANS': 353} Chain breaks: 10 Unresolved chain link angles: 16 Unresolved non-hydrogen bonds: 1197 Unresolved non-hydrogen angles: 1540 Unresolved non-hydrogen dihedrals: 987 Unresolved non-hydrogen chiralities: 115 Planarities with less than four sites: {'GLN:plan1': 20, 'ASP:plan': 20, 'TYR:plan': 16, 'ASN:plan1': 18, 'TRP:plan': 3, 'HIS:plan': 10, 'PHE:plan': 14, 'GLU:plan': 18, 'ARG:plan': 25} Unresolved non-hydrogen planarities: 664 Chain: "U" Number of atoms: 27 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 27 Unusual residues: {'ADP': 1} Classifications: {'undetermined': 1} Chain: "a" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "b" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "c" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "d" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "e" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "f" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "g" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "h" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "i" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "j" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "k" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "l" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "m" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Chain: "t" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 28 Unusual residues: {'GDP': 1} Classifications: {'undetermined': 1} Residues with excluded nonbonded symmetry interactions: 4 residue: pdb=" CD GLU I 367 " occ=0.50 ... (13 atoms not shown) pdb=" CG BGLU I 367 " occ=0.50 residue: pdb=" N AGLU I 472 " occ=0.50 ... (16 atoms not shown) pdb=" OE2BGLU I 472 " occ=0.50 residue: pdb=" CD GLU K 367 " occ=0.50 ... (13 atoms not shown) pdb=" CG BGLU K 367 " occ=0.50 residue: pdb=" N AGLU K 472 " occ=0.50 ... (16 atoms not shown) pdb=" OE2BGLU K 472 " occ=0.50 Time building chain proxies: 43.53, per 1000 atoms: 0.41 Number of scatterers: 106422 At special positions: 0 Unit cell: (329.745, 279.015, 291.03, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 5 Type Number sf(0) S 511 16.00 P 30 15.00 O 19635 8.00 N 18548 7.00 C 67698 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=0, symmetry=0 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 29.41 Conformation dependent library (CDL) restraints added in 14.7 seconds 25122 Ramachandran restraints generated. 12561 Oldfield, 0 Emsley, 12561 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 26626 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: 524 helices and 40 sheets defined 69.6% alpha, 7.7% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 29.88 Creating SS restraints... Processing helix chain 'A' and resid 232 through 237 removed outlier: 4.279A pdb=" N LEU A 236 " --> pdb=" O LEU A 232 " (cutoff:3.500A) Proline residue: A 237 - end of helix No H-bonds generated for 'chain 'A' and resid 232 through 237' Processing helix chain 'A' and resid 239 through 255 removed outlier: 4.698A pdb=" N SER A 243 " --> pdb=" O ALA A 239 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA A 244 " --> pdb=" O SER A 240 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N GLU A 247 " --> pdb=" O SER A 243 " (cutoff:3.500A) removed outlier: 4.323A pdb=" N TYR A 251 " --> pdb=" O GLU A 247 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N VAL A 252 " --> pdb=" O ASP A 248 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N LEU A 253 " --> pdb=" O LEU A 249 " (cutoff:3.500A) removed outlier: 5.102A pdb=" N VAL A 254 " --> pdb=" O LEU A 250 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLY A 255 " --> pdb=" O TYR A 251 " (cutoff:3.500A) Processing helix chain 'A' and resid 281 through 310 removed outlier: 3.515A pdb=" N GLU A 286 " --> pdb=" O LEU A 282 " (cutoff:3.500A) removed outlier: 5.002A pdb=" N LEU A 287 " --> pdb=" O SER A 283 " (cutoff:3.500A) removed outlier: 4.040A pdb=" N ARG A 290 " --> pdb=" O GLU A 286 " (cutoff:3.500A) Proline residue: A 293 - end of helix removed outlier: 3.630A pdb=" N SER A 297 " --> pdb=" O PRO A 293 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N ALA A 300 " --> pdb=" O ALA A 296 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N VAL A 301 " --> pdb=" O SER A 297 " (cutoff:3.500A) removed outlier: 4.365A pdb=" N ARG A 303 " --> pdb=" O SER A 299 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N PHE A 304 " --> pdb=" O ALA A 300 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLU A 306 " --> pdb=" O THR A 302 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N GLU A 307 " --> pdb=" O ARG A 303 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N SER A 309 " --> pdb=" O ILE A 305 " (cutoff:3.500A) removed outlier: 5.853A pdb=" N SER A 310 " --> pdb=" O GLU A 306 " (cutoff:3.500A) Processing helix chain 'A' and resid 314 through 345 removed outlier: 3.864A pdb=" N HIS A 318 " --> pdb=" O GLY A 314 " (cutoff:3.500A) removed outlier: 4.277A pdb=" N ALA A 319 " --> pdb=" O GLN A 315 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ALA A 321 " --> pdb=" O ASN A 317 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N THR A 326 " --> pdb=" O ALA A 322 " (cutoff:3.500A) removed outlier: 4.515A pdb=" N LEU A 327 " --> pdb=" O ALA A 323 " (cutoff:3.500A) removed outlier: 4.239A pdb=" N VAL A 328 " --> pdb=" O MET A 324 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N LEU A 338 " --> pdb=" O LEU A 334 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLN A 344 " --> pdb=" O GLN A 340 " (cutoff:3.500A) removed outlier: 4.144A pdb=" N GLY A 345 " --> pdb=" O LEU A 341 " (cutoff:3.500A) Processing helix chain 'A' and resid 348 through 357 removed outlier: 4.053A pdb=" N PHE A 354 " --> pdb=" O GLN A 350 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N TYR A 355 " --> pdb=" O LYS A 351 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N GLN A 357 " --> pdb=" O TRP A 353 " (cutoff:3.500A) Processing helix chain 'A' and resid 358 through 377 removed outlier: 3.761A pdb=" N ASP A 364 " --> pdb=" O MET A 360 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N ALA A 367 " --> pdb=" O MET A 363 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N SER A 368 " --> pdb=" O ASP A 364 " (cutoff:3.500A) removed outlier: 4.066A pdb=" N THR A 371 " --> pdb=" O ALA A 367 " (cutoff:3.500A) removed outlier: 4.282A pdb=" N ASP A 374 " --> pdb=" O ALA A 370 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N LYS A 375 " --> pdb=" O THR A 371 " (cutoff:3.500A) removed outlier: 4.608A pdb=" N GLY A 376 " --> pdb=" O SER A 372 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLU A 377 " --> pdb=" O VAL A 373 " (cutoff:3.500A) Processing helix chain 'A' and resid 380 through 395 removed outlier: 3.960A pdb=" N LEU A 386 " --> pdb=" O SER A 382 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N LEU A 387 " --> pdb=" O THR A 383 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N HIS A 388 " --> pdb=" O LEU A 384 " (cutoff:3.500A) removed outlier: 3.908A pdb=" N SER A 391 " --> pdb=" O LEU A 387 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N PHE A 392 " --> pdb=" O HIS A 388 " (cutoff:3.500A) removed outlier: 4.375A pdb=" N TYR A 394 " --> pdb=" O ARG A 390 " (cutoff:3.500A) removed outlier: 4.709A pdb=" N THR A 395 " --> pdb=" O SER A 391 " (cutoff:3.500A) Processing helix chain 'A' and resid 397 through 424 removed outlier: 5.890A pdb=" N GLN A 401 " --> pdb=" O ASP A 397 " (cutoff:3.500A) removed outlier: 4.429A pdb=" N GLU A 402 " --> pdb=" O SER A 398 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N LEU A 403 " --> pdb=" O GLN A 399 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N CYS A 404 " --> pdb=" O ALA A 400 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N LEU A 405 " --> pdb=" O GLN A 401 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N THR A 408 " --> pdb=" O CYS A 404 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N ALA A 410 " --> pdb=" O TYR A 406 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N SER A 412 " --> pdb=" O THR A 408 " (cutoff:3.500A) removed outlier: 4.394A pdb=" N ALA A 413 " --> pdb=" O LYS A 409 " (cutoff:3.500A) Proline residue: A 414 - end of helix removed outlier: 3.969A pdb=" N GLU A 420 " --> pdb=" O PHE A 416 " (cutoff:3.500A) removed outlier: 4.252A pdb=" N LYS A 421 " --> pdb=" O GLU A 417 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N TYR A 424 " --> pdb=" O GLU A 420 " (cutoff:3.500A) Processing helix chain 'A' and resid 455 through 461 removed outlier: 5.226A pdb=" N ARG A 459 " --> pdb=" O TYR A 455 " (cutoff:3.500A) removed outlier: 4.692A pdb=" N TYR A 460 " --> pdb=" O TRP A 456 " (cutoff:3.500A) removed outlier: 5.369A pdb=" N THR A 461 " --> pdb=" O ASP A 457 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 455 through 461' Processing helix chain 'A' and resid 468 through 473 removed outlier: 6.066A pdb=" N GLN A 472 " --> pdb=" O PRO A 468 " (cutoff:3.500A) removed outlier: 6.313A pdb=" N LYS A 473 " --> pdb=" O SER A 469 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 468 through 473' Processing helix chain 'A' and resid 474 through 492 removed outlier: 3.529A pdb=" N ILE A 478 " --> pdb=" O MET A 474 " (cutoff:3.500A) removed outlier: 4.150A pdb=" N LEU A 479 " --> pdb=" O ALA A 475 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N TYR A 484 " --> pdb=" O SER A 480 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N LEU A 485 " --> pdb=" O THR A 481 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N VAL A 487 " --> pdb=" O LYS A 483 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N VAL A 488 " --> pdb=" O TYR A 484 " (cutoff:3.500A) removed outlier: 4.605A pdb=" N CYS A 491 " --> pdb=" O VAL A 487 " (cutoff:3.500A) Processing helix chain 'A' and resid 510 through 533 removed outlier: 3.689A pdb=" N GLU A 517 " --> pdb=" O VAL A 513 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N ALA A 519 " --> pdb=" O GLN A 515 " (cutoff:3.500A) removed outlier: 4.205A pdb=" N TYR A 522 " --> pdb=" O LYS A 518 " (cutoff:3.500A) removed outlier: 4.265A pdb=" N LYS A 525 " --> pdb=" O ASN A 521 " (cutoff:3.500A) removed outlier: 3.767A pdb=" N LEU A 527 " --> pdb=" O ALA A 523 " (cutoff:3.500A) removed outlier: 3.941A pdb=" N ASP A 529 " --> pdb=" O LYS A 525 " (cutoff:3.500A) Processing helix chain 'A' and resid 536 through 548 removed outlier: 4.167A pdb=" N HIS A 540 " --> pdb=" O GLU A 536 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N ARG A 542 " --> pdb=" O VAL A 538 " (cutoff:3.500A) removed outlier: 4.578A pdb=" N SER A 543 " --> pdb=" O ALA A 539 " (cutoff:3.500A) removed outlier: 4.076A pdb=" N ILE A 544 " --> pdb=" O HIS A 540 " (cutoff:3.500A) removed outlier: 4.496A pdb=" N TYR A 547 " --> pdb=" O SER A 543 " (cutoff:3.500A) Processing helix chain 'A' and resid 552 through 564 removed outlier: 4.310A pdb=" N PHE A 556 " --> pdb=" O GLN A 552 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N HIS A 558 " --> pdb=" O ASP A 554 " (cutoff:3.500A) removed outlier: 4.096A pdb=" N ASP A 561 " --> pdb=" O VAL A 557 " (cutoff:3.500A) removed outlier: 3.845A pdb=" N LEU A 562 " --> pdb=" O HIS A 558 " (cutoff:3.500A) Processing helix chain 'A' and resid 575 through 590 removed outlier: 3.609A pdb=" N LEU A 579 " --> pdb=" O THR A 575 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N ALA A 581 " --> pdb=" O PRO A 577 " (cutoff:3.500A) removed outlier: 3.835A pdb=" N LEU A 585 " --> pdb=" O ALA A 581 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N ARG A 588 " --> pdb=" O GLU A 584 " (cutoff:3.500A) Processing helix chain 'A' and resid 639 through 644 removed outlier: 5.888A pdb=" N ALA A 643 " --> pdb=" O SER A 639 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N PHE A 644 " --> pdb=" O GLY A 640 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 639 through 644' Processing helix chain 'A' and resid 652 through 658 removed outlier: 3.754A pdb=" N LEU A 656 " --> pdb=" O TRP A 652 " (cutoff:3.500A) removed outlier: 5.000A pdb=" N ILE A 657 " --> pdb=" O PRO A 653 " (cutoff:3.500A) Processing helix chain 'A' and resid 661 through 692 removed outlier: 4.542A pdb=" N ARG A 665 " --> pdb=" O LYS A 661 " (cutoff:3.500A) removed outlier: 4.487A pdb=" N TYR A 666 " --> pdb=" O ALA A 662 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N ARG A 671 " --> pdb=" O GLN A 667 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N HIS A 672 " --> pdb=" O MET A 668 " (cutoff:3.500A) removed outlier: 4.169A pdb=" N MET A 673 " --> pdb=" O LEU A 669 " (cutoff:3.500A) removed outlier: 3.965A pdb=" N CYS A 676 " --> pdb=" O HIS A 672 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N CYS A 684 " --> pdb=" O GLU A 680 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N SER A 685 " --> pdb=" O ARG A 681 " (cutoff:3.500A) removed outlier: 4.286A pdb=" N TRP A 687 " --> pdb=" O LEU A 683 " (cutoff:3.500A) removed outlier: 4.391A pdb=" N ILE A 688 " --> pdb=" O CYS A 684 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N SER A 689 " --> pdb=" O SER A 685 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N LYS A 691 " --> pdb=" O TRP A 687 " (cutoff:3.500A) removed outlier: 5.546A pdb=" N THR A 692 " --> pdb=" O ILE A 688 " (cutoff:3.500A) Processing helix chain 'A' and resid 706 through 727 removed outlier: 4.258A pdb=" N LEU A 710 " --> pdb=" O GLY A 706 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N ARG A 713 " --> pdb=" O THR A 709 " (cutoff:3.500A) removed outlier: 3.806A pdb=" N PHE A 717 " --> pdb=" O ARG A 713 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N ASN A 720 " --> pdb=" O ASN A 716 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N TYR A 723 " --> pdb=" O GLN A 719 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N TYR A 724 " --> pdb=" O ASN A 720 " (cutoff:3.500A) Processing helix chain 'A' and resid 729 through 744 removed outlier: 3.596A pdb=" N TRP A 734 " --> pdb=" O MET A 730 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N LYS A 742 " --> pdb=" O GLU A 738 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N SER A 743 " --> pdb=" O LYS A 739 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N ALA A 744 " --> pdb=" O ASN A 740 " (cutoff:3.500A) Processing helix chain 'A' and resid 746 through 766 removed outlier: 4.072A pdb=" N GLY A 752 " --> pdb=" O ASP A 748 " (cutoff:3.500A) removed outlier: 3.845A pdb=" N THR A 755 " --> pdb=" O LEU A 751 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N PHE A 757 " --> pdb=" O HIS A 753 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N THR A 760 " --> pdb=" O GLY A 756 " (cutoff:3.500A) removed outlier: 3.894A pdb=" N LYS A 763 " --> pdb=" O ASP A 759 " (cutoff:3.500A) removed outlier: 5.450A pdb=" N MET A 766 " --> pdb=" O LEU A 762 " (cutoff:3.500A) Processing helix chain 'A' and resid 773 through 793 removed outlier: 4.707A pdb=" N SER A 777 " --> pdb=" O LEU A 773 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N LYS A 778 " --> pdb=" O LYS A 774 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N VAL A 782 " --> pdb=" O LYS A 778 " (cutoff:3.500A) removed outlier: 3.852A pdb=" N CYS A 783 " --> pdb=" O LEU A 779 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LYS A 792 " --> pdb=" O ASN A 788 " (cutoff:3.500A) removed outlier: 4.718A pdb=" N PHE A 793 " --> pdb=" O CYS A 789 " (cutoff:3.500A) Processing helix chain 'A' and resid 846 through 871 removed outlier: 4.698A pdb=" N ASN A 851 " --> pdb=" O GLU A 847 " (cutoff:3.500A) removed outlier: 4.031A pdb=" N LYS A 852 " --> pdb=" O ALA A 848 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N ALA A 859 " --> pdb=" O LYS A 855 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N SER A 869 " --> pdb=" O LEU A 865 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ILE A 870 " --> pdb=" O ALA A 866 " (cutoff:3.500A) removed outlier: 5.167A pdb=" N TYR A 871 " --> pdb=" O ARG A 867 " (cutoff:3.500A) Processing helix chain 'A' and resid 879 through 888 removed outlier: 4.544A pdb=" N VAL A 883 " --> pdb=" O GLY A 879 " (cutoff:3.500A) removed outlier: 5.400A pdb=" N ILE A 884 " --> pdb=" O MET A 880 " (cutoff:3.500A) removed outlier: 4.492A pdb=" N SER A 885 " --> pdb=" O ALA A 881 " (cutoff:3.500A) Processing helix chain 'C' and resid 232 through 237 removed outlier: 3.918A pdb=" N LEU C 236 " --> pdb=" O LEU C 232 " (cutoff:3.500A) Proline residue: C 237 - end of helix No H-bonds generated for 'chain 'C' and resid 232 through 237' Processing helix chain 'C' and resid 239 through 255 removed outlier: 4.526A pdb=" N SER C 243 " --> pdb=" O ALA C 239 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N ALA C 244 " --> pdb=" O SER C 240 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N GLU C 247 " --> pdb=" O SER C 243 " (cutoff:3.500A) Processing helix chain 'C' and resid 281 through 310 removed outlier: 4.812A pdb=" N LEU C 287 " --> pdb=" O SER C 283 " (cutoff:3.500A) removed outlier: 4.305A pdb=" N ARG C 290 " --> pdb=" O GLU C 286 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N ILE C 291 " --> pdb=" O LEU C 287 " (cutoff:3.500A) Proline residue: C 293 - end of helix removed outlier: 3.786A pdb=" N SER C 297 " --> pdb=" O PRO C 293 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N TYR C 298 " --> pdb=" O VAL C 294 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N VAL C 301 " --> pdb=" O SER C 297 " (cutoff:3.500A) removed outlier: 4.862A pdb=" N ARG C 303 " --> pdb=" O SER C 299 " (cutoff:3.500A) removed outlier: 4.250A pdb=" N PHE C 304 " --> pdb=" O ALA C 300 " (cutoff:3.500A) removed outlier: 3.982A pdb=" N GLU C 307 " --> pdb=" O ARG C 303 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N SER C 309 " --> pdb=" O ILE C 305 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N SER C 310 " --> pdb=" O GLU C 306 " (cutoff:3.500A) Processing helix chain 'C' and resid 314 through 345 removed outlier: 3.900A pdb=" N HIS C 318 " --> pdb=" O GLY C 314 " (cutoff:3.500A) removed outlier: 4.203A pdb=" N ALA C 319 " --> pdb=" O GLN C 315 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ALA C 321 " --> pdb=" O ASN C 317 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N ARG C 325 " --> pdb=" O ALA C 321 " (cutoff:3.500A) removed outlier: 4.348A pdb=" N LEU C 327 " --> pdb=" O ALA C 323 " (cutoff:3.500A) removed outlier: 4.258A pdb=" N VAL C 328 " --> pdb=" O MET C 324 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N LEU C 334 " --> pdb=" O GLU C 330 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N SER C 336 " --> pdb=" O LEU C 332 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N LEU C 338 " --> pdb=" O LEU C 334 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N ARG C 343 " --> pdb=" O GLU C 339 " (cutoff:3.500A) removed outlier: 4.207A pdb=" N GLN C 344 " --> pdb=" O GLN C 340 " (cutoff:3.500A) removed outlier: 4.303A pdb=" N GLY C 345 " --> pdb=" O LEU C 341 " (cutoff:3.500A) Processing helix chain 'C' and resid 348 through 357 removed outlier: 4.067A pdb=" N PHE C 354 " --> pdb=" O GLN C 350 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N TYR C 355 " --> pdb=" O LYS C 351 " (cutoff:3.500A) removed outlier: 4.761A pdb=" N GLN C 357 " --> pdb=" O TRP C 353 " (cutoff:3.500A) Processing helix chain 'C' and resid 358 through 377 removed outlier: 3.703A pdb=" N MET C 363 " --> pdb=" O ALA C 359 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N ASP C 364 " --> pdb=" O MET C 360 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ILE C 365 " --> pdb=" O ARG C 361 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ALA C 367 " --> pdb=" O MET C 363 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N SER C 368 " --> pdb=" O ASP C 364 " (cutoff:3.500A) removed outlier: 4.354A pdb=" N THR C 371 " --> pdb=" O ALA C 367 " (cutoff:3.500A) removed outlier: 4.499A pdb=" N ASP C 374 " --> pdb=" O ALA C 370 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N LYS C 375 " --> pdb=" O THR C 371 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N GLY C 376 " --> pdb=" O SER C 372 " (cutoff:3.500A) removed outlier: 4.370A pdb=" N GLU C 377 " --> pdb=" O VAL C 373 " (cutoff:3.500A) Processing helix chain 'C' and resid 380 through 395 removed outlier: 4.066A pdb=" N LEU C 384 " --> pdb=" O GLY C 380 " (cutoff:3.500A) removed outlier: 4.750A pdb=" N LEU C 387 " --> pdb=" O THR C 383 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N HIS C 388 " --> pdb=" O LEU C 384 " (cutoff:3.500A) removed outlier: 4.338A pdb=" N SER C 391 " --> pdb=" O LEU C 387 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N PHE C 392 " --> pdb=" O HIS C 388 " (cutoff:3.500A) removed outlier: 4.414A pdb=" N TYR C 394 " --> pdb=" O ARG C 390 " (cutoff:3.500A) removed outlier: 4.700A pdb=" N THR C 395 " --> pdb=" O SER C 391 " (cutoff:3.500A) Processing helix chain 'C' and resid 397 through 424 removed outlier: 5.887A pdb=" N GLN C 401 " --> pdb=" O ASP C 397 " (cutoff:3.500A) removed outlier: 4.379A pdb=" N GLU C 402 " --> pdb=" O SER C 398 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N LEU C 403 " --> pdb=" O GLN C 399 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N CYS C 404 " --> pdb=" O ALA C 400 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N TYR C 406 " --> pdb=" O GLU C 402 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N THR C 408 " --> pdb=" O CYS C 404 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N LYS C 409 " --> pdb=" O LEU C 405 " (cutoff:3.500A) removed outlier: 4.730A pdb=" N ALA C 413 " --> pdb=" O LYS C 409 " (cutoff:3.500A) Proline residue: C 414 - end of helix removed outlier: 3.700A pdb=" N VAL C 418 " --> pdb=" O PRO C 414 " (cutoff:3.500A) removed outlier: 4.007A pdb=" N LYS C 421 " --> pdb=" O GLU C 417 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N TYR C 424 " --> pdb=" O GLU C 420 " (cutoff:3.500A) Processing helix chain 'C' and resid 455 through 461 removed outlier: 5.085A pdb=" N ARG C 459 " --> pdb=" O TYR C 455 " (cutoff:3.500A) removed outlier: 4.572A pdb=" N TYR C 460 " --> pdb=" O TRP C 456 " (cutoff:3.500A) removed outlier: 5.953A pdb=" N THR C 461 " --> pdb=" O ASP C 457 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 455 through 461' Processing helix chain 'C' and resid 468 through 473 removed outlier: 6.193A pdb=" N GLN C 472 " --> pdb=" O PRO C 468 " (cutoff:3.500A) removed outlier: 6.375A pdb=" N LYS C 473 " --> pdb=" O SER C 469 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 468 through 473' Processing helix chain 'C' and resid 474 through 492 removed outlier: 3.514A pdb=" N ILE C 478 " --> pdb=" O MET C 474 " (cutoff:3.500A) removed outlier: 4.364A pdb=" N LEU C 479 " --> pdb=" O ALA C 475 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLY C 482 " --> pdb=" O ILE C 478 " (cutoff:3.500A) removed outlier: 4.017A pdb=" N TYR C 484 " --> pdb=" O SER C 480 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N VAL C 487 " --> pdb=" O LYS C 483 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N VAL C 488 " --> pdb=" O TYR C 484 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N CYS C 491 " --> pdb=" O VAL C 487 " (cutoff:3.500A) Processing helix chain 'C' and resid 510 through 533 removed outlier: 4.091A pdb=" N GLN C 515 " --> pdb=" O ALA C 511 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N GLU C 517 " --> pdb=" O VAL C 513 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N ALA C 519 " --> pdb=" O GLN C 515 " (cutoff:3.500A) removed outlier: 4.153A pdb=" N TYR C 522 " --> pdb=" O LYS C 518 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N LYS C 525 " --> pdb=" O ASN C 521 " (cutoff:3.500A) removed outlier: 3.973A pdb=" N LEU C 527 " --> pdb=" O ALA C 523 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ASP C 529 " --> pdb=" O LYS C 525 " (cutoff:3.500A) Processing helix chain 'C' and resid 536 through 548 removed outlier: 4.140A pdb=" N HIS C 540 " --> pdb=" O GLU C 536 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N ARG C 542 " --> pdb=" O VAL C 538 " (cutoff:3.500A) removed outlier: 4.761A pdb=" N SER C 543 " --> pdb=" O ALA C 539 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N ILE C 544 " --> pdb=" O HIS C 540 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N TYR C 547 " --> pdb=" O SER C 543 " (cutoff:3.500A) Processing helix chain 'C' and resid 552 through 564 removed outlier: 4.284A pdb=" N PHE C 556 " --> pdb=" O GLN C 552 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N HIS C 558 " --> pdb=" O ASP C 554 " (cutoff:3.500A) removed outlier: 3.904A pdb=" N ASP C 561 " --> pdb=" O VAL C 557 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N LEU C 562 " --> pdb=" O HIS C 558 " (cutoff:3.500A) Processing helix chain 'C' and resid 575 through 590 removed outlier: 4.074A pdb=" N ALA C 581 " --> pdb=" O PRO C 577 " (cutoff:3.500A) Processing helix chain 'C' and resid 639 through 644 removed outlier: 5.878A pdb=" N ALA C 643 " --> pdb=" O SER C 639 " (cutoff:3.500A) removed outlier: 4.659A pdb=" N PHE C 644 " --> pdb=" O GLY C 640 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 639 through 644' Processing helix chain 'C' and resid 652 through 658 removed outlier: 3.849A pdb=" N LEU C 656 " --> pdb=" O TRP C 652 " (cutoff:3.500A) removed outlier: 4.949A pdb=" N ILE C 657 " --> pdb=" O PRO C 653 " (cutoff:3.500A) Processing helix chain 'C' and resid 661 through 692 removed outlier: 4.668A pdb=" N ARG C 665 " --> pdb=" O LYS C 661 " (cutoff:3.500A) removed outlier: 4.633A pdb=" N TYR C 666 " --> pdb=" O ALA C 662 " (cutoff:3.500A) removed outlier: 3.926A pdb=" N ARG C 671 " --> pdb=" O GLN C 667 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N HIS C 672 " --> pdb=" O MET C 668 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N MET C 673 " --> pdb=" O LEU C 669 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N CYS C 676 " --> pdb=" O HIS C 672 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N GLU C 680 " --> pdb=" O CYS C 676 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N CYS C 684 " --> pdb=" O GLU C 680 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N TRP C 687 " --> pdb=" O LEU C 683 " (cutoff:3.500A) removed outlier: 4.565A pdb=" N ILE C 688 " --> pdb=" O CYS C 684 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N SER C 689 " --> pdb=" O SER C 685 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N ASN C 690 " --> pdb=" O VAL C 686 " (cutoff:3.500A) removed outlier: 4.022A pdb=" N LYS C 691 " --> pdb=" O TRP C 687 " (cutoff:3.500A) removed outlier: 5.065A pdb=" N THR C 692 " --> pdb=" O ILE C 688 " (cutoff:3.500A) Processing helix chain 'C' and resid 706 through 727 removed outlier: 4.284A pdb=" N LEU C 710 " --> pdb=" O GLY C 706 " (cutoff:3.500A) removed outlier: 4.062A pdb=" N ARG C 713 " --> pdb=" O THR C 709 " (cutoff:3.500A) removed outlier: 4.006A pdb=" N PHE C 717 " --> pdb=" O ARG C 713 " (cutoff:3.500A) removed outlier: 4.095A pdb=" N ASN C 720 " --> pdb=" O ASN C 716 " (cutoff:3.500A) removed outlier: 4.375A pdb=" N TYR C 723 " --> pdb=" O GLN C 719 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N TYR C 724 " --> pdb=" O ASN C 720 " (cutoff:3.500A) Processing helix chain 'C' and resid 729 through 744 removed outlier: 3.719A pdb=" N LYS C 742 " --> pdb=" O GLU C 738 " (cutoff:3.500A) removed outlier: 3.913A pdb=" N SER C 743 " --> pdb=" O LYS C 739 " (cutoff:3.500A) removed outlier: 4.348A pdb=" N ALA C 744 " --> pdb=" O ASN C 740 " (cutoff:3.500A) Processing helix chain 'C' and resid 746 through 766 removed outlier: 4.085A pdb=" N GLY C 752 " --> pdb=" O ASP C 748 " (cutoff:3.500A) removed outlier: 4.060A pdb=" N THR C 755 " --> pdb=" O LEU C 751 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N PHE C 757 " --> pdb=" O HIS C 753 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N THR C 760 " --> pdb=" O GLY C 756 " (cutoff:3.500A) removed outlier: 5.262A pdb=" N MET C 766 " --> pdb=" O LEU C 762 " (cutoff:3.500A) Processing helix chain 'C' and resid 773 through 793 removed outlier: 4.633A pdb=" N SER C 777 " --> pdb=" O LEU C 773 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N SER C 781 " --> pdb=" O SER C 777 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N VAL C 782 " --> pdb=" O LYS C 778 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N CYS C 783 " --> pdb=" O LEU C 779 " (cutoff:3.500A) removed outlier: 4.606A pdb=" N PHE C 793 " --> pdb=" O CYS C 789 " (cutoff:3.500A) Processing helix chain 'C' and resid 846 through 871 removed outlier: 4.226A pdb=" N ASN C 851 " --> pdb=" O GLU C 847 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N LYS C 852 " --> pdb=" O ALA C 848 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ALA C 859 " --> pdb=" O LYS C 855 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N LEU C 864 " --> pdb=" O HIS C 860 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N ILE C 870 " --> pdb=" O ALA C 866 " (cutoff:3.500A) removed outlier: 5.237A pdb=" N TYR C 871 " --> pdb=" O ARG C 867 " (cutoff:3.500A) Processing helix chain 'C' and resid 879 through 888 removed outlier: 4.054A pdb=" N VAL C 883 " --> pdb=" O GLY C 879 " (cutoff:3.500A) removed outlier: 5.401A pdb=" N ILE C 884 " --> pdb=" O MET C 880 " (cutoff:3.500A) removed outlier: 4.250A pdb=" N SER C 885 " --> pdb=" O ALA C 881 " (cutoff:3.500A) Processing helix chain 'E' and resid 232 through 237 removed outlier: 4.279A pdb=" N LEU E 236 " --> pdb=" O LEU E 232 " (cutoff:3.500A) Proline residue: E 237 - end of helix No H-bonds generated for 'chain 'E' and resid 232 through 237' Processing helix chain 'E' and resid 239 through 255 removed outlier: 4.698A pdb=" N SER E 243 " --> pdb=" O ALA E 239 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA E 244 " --> pdb=" O SER E 240 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N GLU E 247 " --> pdb=" O SER E 243 " (cutoff:3.500A) removed outlier: 4.323A pdb=" N TYR E 251 " --> pdb=" O GLU E 247 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N VAL E 252 " --> pdb=" O ASP E 248 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N LEU E 253 " --> pdb=" O LEU E 249 " (cutoff:3.500A) removed outlier: 5.101A pdb=" N VAL E 254 " --> pdb=" O LEU E 250 " (cutoff:3.500A) removed outlier: 3.619A pdb=" N GLY E 255 " --> pdb=" O TYR E 251 " (cutoff:3.500A) Processing helix chain 'E' and resid 281 through 310 removed outlier: 3.744A pdb=" N ILE E 291 " --> pdb=" O LEU E 287 " (cutoff:3.500A) Proline residue: E 293 - end of helix removed outlier: 3.697A pdb=" N ALA E 300 " --> pdb=" O ALA E 296 " (cutoff:3.500A) removed outlier: 4.168A pdb=" N VAL E 301 " --> pdb=" O SER E 297 " (cutoff:3.500A) removed outlier: 4.150A pdb=" N ARG E 303 " --> pdb=" O SER E 299 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N SER E 309 " --> pdb=" O ILE E 305 " (cutoff:3.500A) removed outlier: 4.961A pdb=" N SER E 310 " --> pdb=" O GLU E 306 " (cutoff:3.500A) Processing helix chain 'E' and resid 314 through 345 removed outlier: 3.866A pdb=" N HIS E 318 " --> pdb=" O GLY E 314 " (cutoff:3.500A) removed outlier: 4.277A pdb=" N ALA E 319 " --> pdb=" O GLN E 315 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N ALA E 321 " --> pdb=" O ASN E 317 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N THR E 326 " --> pdb=" O ALA E 322 " (cutoff:3.500A) removed outlier: 4.516A pdb=" N LEU E 327 " --> pdb=" O ALA E 323 " (cutoff:3.500A) removed outlier: 4.137A pdb=" N VAL E 328 " --> pdb=" O MET E 324 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N LEU E 338 " --> pdb=" O LEU E 334 " (cutoff:3.500A) removed outlier: 4.430A pdb=" N GLN E 344 " --> pdb=" O GLN E 340 " (cutoff:3.500A) removed outlier: 4.144A pdb=" N GLY E 345 " --> pdb=" O LEU E 341 " (cutoff:3.500A) Processing helix chain 'E' and resid 348 through 357 removed outlier: 4.491A pdb=" N GLN E 357 " --> pdb=" O TRP E 353 " (cutoff:3.500A) Processing helix chain 'E' and resid 358 through 377 removed outlier: 3.760A pdb=" N ASP E 364 " --> pdb=" O MET E 360 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA E 367 " --> pdb=" O MET E 363 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N SER E 368 " --> pdb=" O ASP E 364 " (cutoff:3.500A) removed outlier: 4.066A pdb=" N THR E 371 " --> pdb=" O ALA E 367 " (cutoff:3.500A) removed outlier: 4.132A pdb=" N ASP E 374 " --> pdb=" O ALA E 370 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N LYS E 375 " --> pdb=" O THR E 371 " (cutoff:3.500A) removed outlier: 4.608A pdb=" N GLY E 376 " --> pdb=" O SER E 372 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N GLU E 377 " --> pdb=" O VAL E 373 " (cutoff:3.500A) Processing helix chain 'E' and resid 380 through 395 removed outlier: 3.961A pdb=" N LEU E 386 " --> pdb=" O SER E 382 " (cutoff:3.500A) removed outlier: 3.970A pdb=" N LEU E 387 " --> pdb=" O THR E 383 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N HIS E 388 " --> pdb=" O LEU E 384 " (cutoff:3.500A) removed outlier: 3.908A pdb=" N SER E 391 " --> pdb=" O LEU E 387 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N PHE E 392 " --> pdb=" O HIS E 388 " (cutoff:3.500A) removed outlier: 4.375A pdb=" N TYR E 394 " --> pdb=" O ARG E 390 " (cutoff:3.500A) removed outlier: 4.708A pdb=" N THR E 395 " --> pdb=" O SER E 391 " (cutoff:3.500A) Processing helix chain 'E' and resid 397 through 424 removed outlier: 5.710A pdb=" N GLN E 401 " --> pdb=" O ASP E 397 " (cutoff:3.500A) removed outlier: 4.428A pdb=" N GLU E 402 " --> pdb=" O SER E 398 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU E 403 " --> pdb=" O GLN E 399 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N CYS E 404 " --> pdb=" O ALA E 400 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N LEU E 405 " --> pdb=" O GLN E 401 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N THR E 408 " --> pdb=" O CYS E 404 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N ALA E 410 " --> pdb=" O TYR E 406 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N SER E 412 " --> pdb=" O THR E 408 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N ALA E 413 " --> pdb=" O LYS E 409 " (cutoff:3.500A) Proline residue: E 414 - end of helix removed outlier: 3.968A pdb=" N GLU E 420 " --> pdb=" O PHE E 416 " (cutoff:3.500A) removed outlier: 4.252A pdb=" N LYS E 421 " --> pdb=" O GLU E 417 " (cutoff:3.500A) removed outlier: 3.939A pdb=" N TYR E 424 " --> pdb=" O GLU E 420 " (cutoff:3.500A) Processing helix chain 'E' and resid 455 through 461 removed outlier: 5.225A pdb=" N ARG E 459 " --> pdb=" O TYR E 455 " (cutoff:3.500A) removed outlier: 4.693A pdb=" N TYR E 460 " --> pdb=" O TRP E 456 " (cutoff:3.500A) removed outlier: 5.369A pdb=" N THR E 461 " --> pdb=" O ASP E 457 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 455 through 461' Processing helix chain 'E' and resid 468 through 473 removed outlier: 6.066A pdb=" N GLN E 472 " --> pdb=" O PRO E 468 " (cutoff:3.500A) removed outlier: 6.313A pdb=" N LYS E 473 " --> pdb=" O SER E 469 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 468 through 473' Processing helix chain 'E' and resid 474 through 492 removed outlier: 3.529A pdb=" N ILE E 478 " --> pdb=" O MET E 474 " (cutoff:3.500A) removed outlier: 4.150A pdb=" N LEU E 479 " --> pdb=" O ALA E 475 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N TYR E 484 " --> pdb=" O SER E 480 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N LEU E 485 " --> pdb=" O THR E 481 " (cutoff:3.500A) removed outlier: 3.666A pdb=" N VAL E 487 " --> pdb=" O LYS E 483 " (cutoff:3.500A) removed outlier: 3.938A pdb=" N VAL E 488 " --> pdb=" O TYR E 484 " (cutoff:3.500A) removed outlier: 4.604A pdb=" N CYS E 491 " --> pdb=" O VAL E 487 " (cutoff:3.500A) Processing helix chain 'E' and resid 510 through 533 removed outlier: 3.689A pdb=" N GLU E 517 " --> pdb=" O VAL E 513 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N ALA E 519 " --> pdb=" O GLN E 515 " (cutoff:3.500A) removed outlier: 4.205A pdb=" N TYR E 522 " --> pdb=" O LYS E 518 " (cutoff:3.500A) removed outlier: 4.264A pdb=" N LYS E 525 " --> pdb=" O ASN E 521 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N LEU E 527 " --> pdb=" O ALA E 523 " (cutoff:3.500A) removed outlier: 3.941A pdb=" N ASP E 529 " --> pdb=" O LYS E 525 " (cutoff:3.500A) Processing helix chain 'E' and resid 536 through 548 removed outlier: 4.167A pdb=" N HIS E 540 " --> pdb=" O GLU E 536 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N ARG E 542 " --> pdb=" O VAL E 538 " (cutoff:3.500A) removed outlier: 4.578A pdb=" N SER E 543 " --> pdb=" O ALA E 539 " (cutoff:3.500A) removed outlier: 4.076A pdb=" N ILE E 544 " --> pdb=" O HIS E 540 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N TYR E 547 " --> pdb=" O SER E 543 " (cutoff:3.500A) Processing helix chain 'E' and resid 552 through 564 removed outlier: 4.342A pdb=" N PHE E 556 " --> pdb=" O GLN E 552 " (cutoff:3.500A) removed outlier: 4.761A pdb=" N ASP E 561 " --> pdb=" O VAL E 557 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N LEU E 562 " --> pdb=" O HIS E 558 " (cutoff:3.500A) Processing helix chain 'E' and resid 575 through 590 removed outlier: 3.609A pdb=" N LEU E 579 " --> pdb=" O THR E 575 " (cutoff:3.500A) removed outlier: 3.742A pdb=" N ALA E 581 " --> pdb=" O PRO E 577 " (cutoff:3.500A) removed outlier: 3.836A pdb=" N LEU E 585 " --> pdb=" O ALA E 581 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N ARG E 588 " --> pdb=" O GLU E 584 " (cutoff:3.500A) Processing helix chain 'E' and resid 639 through 644 removed outlier: 5.888A pdb=" N ALA E 643 " --> pdb=" O SER E 639 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N PHE E 644 " --> pdb=" O GLY E 640 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 639 through 644' Processing helix chain 'E' and resid 652 through 658 removed outlier: 3.754A pdb=" N LEU E 656 " --> pdb=" O TRP E 652 " (cutoff:3.500A) removed outlier: 5.000A pdb=" N ILE E 657 " --> pdb=" O PRO E 653 " (cutoff:3.500A) Processing helix chain 'E' and resid 661 through 692 removed outlier: 4.542A pdb=" N ARG E 665 " --> pdb=" O LYS E 661 " (cutoff:3.500A) removed outlier: 4.487A pdb=" N TYR E 666 " --> pdb=" O ALA E 662 " (cutoff:3.500A) removed outlier: 3.991A pdb=" N ARG E 671 " --> pdb=" O GLN E 667 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N HIS E 672 " --> pdb=" O MET E 668 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N MET E 673 " --> pdb=" O LEU E 669 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N CYS E 676 " --> pdb=" O HIS E 672 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N CYS E 684 " --> pdb=" O GLU E 680 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N SER E 685 " --> pdb=" O ARG E 681 " (cutoff:3.500A) removed outlier: 4.286A pdb=" N TRP E 687 " --> pdb=" O LEU E 683 " (cutoff:3.500A) removed outlier: 4.392A pdb=" N ILE E 688 " --> pdb=" O CYS E 684 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N SER E 689 " --> pdb=" O SER E 685 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N LYS E 691 " --> pdb=" O TRP E 687 " (cutoff:3.500A) removed outlier: 5.546A pdb=" N THR E 692 " --> pdb=" O ILE E 688 " (cutoff:3.500A) Processing helix chain 'E' and resid 706 through 727 removed outlier: 4.259A pdb=" N LEU E 710 " --> pdb=" O GLY E 706 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N ARG E 713 " --> pdb=" O THR E 709 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N PHE E 717 " --> pdb=" O ARG E 713 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N ASN E 720 " --> pdb=" O ASN E 716 " (cutoff:3.500A) removed outlier: 3.541A pdb=" N TYR E 723 " --> pdb=" O GLN E 719 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N TYR E 724 " --> pdb=" O ASN E 720 " (cutoff:3.500A) Processing helix chain 'E' and resid 729 through 744 removed outlier: 3.596A pdb=" N TRP E 734 " --> pdb=" O MET E 730 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N LYS E 742 " --> pdb=" O GLU E 738 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N SER E 743 " --> pdb=" O LYS E 739 " (cutoff:3.500A) removed outlier: 4.356A pdb=" N ALA E 744 " --> pdb=" O ASN E 740 " (cutoff:3.500A) Processing helix chain 'E' and resid 746 through 766 removed outlier: 4.072A pdb=" N GLY E 752 " --> pdb=" O ASP E 748 " (cutoff:3.500A) removed outlier: 3.845A pdb=" N THR E 755 " --> pdb=" O LEU E 751 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N PHE E 757 " --> pdb=" O HIS E 753 " (cutoff:3.500A) removed outlier: 4.070A pdb=" N THR E 760 " --> pdb=" O GLY E 756 " (cutoff:3.500A) removed outlier: 3.894A pdb=" N LYS E 763 " --> pdb=" O ASP E 759 " (cutoff:3.500A) removed outlier: 5.449A pdb=" N MET E 766 " --> pdb=" O LEU E 762 " (cutoff:3.500A) Processing helix chain 'E' and resid 773 through 793 removed outlier: 4.707A pdb=" N SER E 777 " --> pdb=" O LEU E 773 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N LYS E 778 " --> pdb=" O LYS E 774 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N VAL E 782 " --> pdb=" O LYS E 778 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N CYS E 783 " --> pdb=" O LEU E 779 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LYS E 792 " --> pdb=" O ASN E 788 " (cutoff:3.500A) removed outlier: 4.719A pdb=" N PHE E 793 " --> pdb=" O CYS E 789 " (cutoff:3.500A) Processing helix chain 'E' and resid 846 through 871 removed outlier: 4.698A pdb=" N ASN E 851 " --> pdb=" O GLU E 847 " (cutoff:3.500A) removed outlier: 4.031A pdb=" N LYS E 852 " --> pdb=" O ALA E 848 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N ALA E 859 " --> pdb=" O LYS E 855 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N SER E 869 " --> pdb=" O LEU E 865 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ILE E 870 " --> pdb=" O ALA E 866 " (cutoff:3.500A) removed outlier: 5.167A pdb=" N TYR E 871 " --> pdb=" O ARG E 867 " (cutoff:3.500A) Processing helix chain 'E' and resid 879 through 888 removed outlier: 4.544A pdb=" N VAL E 883 " --> pdb=" O GLY E 879 " (cutoff:3.500A) removed outlier: 5.401A pdb=" N ILE E 884 " --> pdb=" O MET E 880 " (cutoff:3.500A) removed outlier: 4.493A pdb=" N SER E 885 " --> pdb=" O ALA E 881 " (cutoff:3.500A) Processing helix chain 'G' and resid 232 through 237 removed outlier: 3.919A pdb=" N LEU G 236 " --> pdb=" O LEU G 232 " (cutoff:3.500A) Proline residue: G 237 - end of helix No H-bonds generated for 'chain 'G' and resid 232 through 237' Processing helix chain 'G' and resid 239 through 255 removed outlier: 4.526A pdb=" N SER G 243 " --> pdb=" O ALA G 239 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N ALA G 244 " --> pdb=" O SER G 240 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N GLU G 247 " --> pdb=" O SER G 243 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N TYR G 251 " --> pdb=" O GLU G 247 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N VAL G 252 " --> pdb=" O ASP G 248 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N LEU G 253 " --> pdb=" O LEU G 249 " (cutoff:3.500A) removed outlier: 5.496A pdb=" N VAL G 254 " --> pdb=" O LEU G 250 " (cutoff:3.500A) Processing helix chain 'G' and resid 281 through 310 removed outlier: 4.812A pdb=" N LEU G 287 " --> pdb=" O SER G 283 " (cutoff:3.500A) removed outlier: 4.306A pdb=" N ARG G 290 " --> pdb=" O GLU G 286 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N ILE G 291 " --> pdb=" O LEU G 287 " (cutoff:3.500A) Proline residue: G 293 - end of helix removed outlier: 3.787A pdb=" N SER G 297 " --> pdb=" O PRO G 293 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N TYR G 298 " --> pdb=" O VAL G 294 " (cutoff:3.500A) removed outlier: 4.289A pdb=" N VAL G 301 " --> pdb=" O SER G 297 " (cutoff:3.500A) removed outlier: 4.863A pdb=" N ARG G 303 " --> pdb=" O SER G 299 " (cutoff:3.500A) removed outlier: 4.251A pdb=" N PHE G 304 " --> pdb=" O ALA G 300 " (cutoff:3.500A) removed outlier: 3.983A pdb=" N GLU G 307 " --> pdb=" O ARG G 303 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N SER G 309 " --> pdb=" O ILE G 305 " (cutoff:3.500A) removed outlier: 6.480A pdb=" N SER G 310 " --> pdb=" O GLU G 306 " (cutoff:3.500A) Processing helix chain 'G' and resid 314 through 345 removed outlier: 3.901A pdb=" N HIS G 318 " --> pdb=" O GLY G 314 " (cutoff:3.500A) removed outlier: 4.202A pdb=" N ALA G 319 " --> pdb=" O GLN G 315 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N ALA G 321 " --> pdb=" O ASN G 317 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ARG G 325 " --> pdb=" O ALA G 321 " (cutoff:3.500A) removed outlier: 4.347A pdb=" N LEU G 327 " --> pdb=" O ALA G 323 " (cutoff:3.500A) removed outlier: 4.257A pdb=" N VAL G 328 " --> pdb=" O MET G 324 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N LEU G 334 " --> pdb=" O GLU G 330 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N SER G 336 " --> pdb=" O LEU G 332 " (cutoff:3.500A) removed outlier: 4.437A pdb=" N LEU G 338 " --> pdb=" O LEU G 334 " (cutoff:3.500A) removed outlier: 3.968A pdb=" N GLN G 344 " --> pdb=" O GLN G 340 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N GLY G 345 " --> pdb=" O LEU G 341 " (cutoff:3.500A) Processing helix chain 'G' and resid 348 through 357 removed outlier: 4.067A pdb=" N PHE G 354 " --> pdb=" O GLN G 350 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N TYR G 355 " --> pdb=" O LYS G 351 " (cutoff:3.500A) removed outlier: 4.761A pdb=" N GLN G 357 " --> pdb=" O TRP G 353 " (cutoff:3.500A) Processing helix chain 'G' and resid 358 through 377 removed outlier: 3.704A pdb=" N MET G 363 " --> pdb=" O ALA G 359 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N ASP G 364 " --> pdb=" O MET G 360 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ILE G 365 " --> pdb=" O ARG G 361 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N ALA G 367 " --> pdb=" O MET G 363 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N SER G 368 " --> pdb=" O ASP G 364 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N THR G 371 " --> pdb=" O ALA G 367 " (cutoff:3.500A) removed outlier: 4.500A pdb=" N ASP G 374 " --> pdb=" O ALA G 370 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N LYS G 375 " --> pdb=" O THR G 371 " (cutoff:3.500A) removed outlier: 4.790A pdb=" N GLY G 376 " --> pdb=" O SER G 372 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N GLU G 377 " --> pdb=" O VAL G 373 " (cutoff:3.500A) Processing helix chain 'G' and resid 380 through 395 removed outlier: 4.067A pdb=" N LEU G 384 " --> pdb=" O GLY G 380 " (cutoff:3.500A) removed outlier: 4.750A pdb=" N LEU G 387 " --> pdb=" O THR G 383 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N HIS G 388 " --> pdb=" O LEU G 384 " (cutoff:3.500A) removed outlier: 4.337A pdb=" N SER G 391 " --> pdb=" O LEU G 387 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N PHE G 392 " --> pdb=" O HIS G 388 " (cutoff:3.500A) removed outlier: 4.414A pdb=" N TYR G 394 " --> pdb=" O ARG G 390 " (cutoff:3.500A) removed outlier: 4.699A pdb=" N THR G 395 " --> pdb=" O SER G 391 " (cutoff:3.500A) Processing helix chain 'G' and resid 397 through 424 removed outlier: 5.887A pdb=" N GLN G 401 " --> pdb=" O ASP G 397 " (cutoff:3.500A) removed outlier: 4.379A pdb=" N GLU G 402 " --> pdb=" O SER G 398 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N LEU G 403 " --> pdb=" O GLN G 399 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N CYS G 404 " --> pdb=" O ALA G 400 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N TYR G 406 " --> pdb=" O GLU G 402 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N THR G 408 " --> pdb=" O CYS G 404 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N LYS G 409 " --> pdb=" O LEU G 405 " (cutoff:3.500A) removed outlier: 4.730A pdb=" N ALA G 413 " --> pdb=" O LYS G 409 " (cutoff:3.500A) Proline residue: G 414 - end of helix removed outlier: 3.701A pdb=" N VAL G 418 " --> pdb=" O PRO G 414 " (cutoff:3.500A) removed outlier: 4.006A pdb=" N LYS G 421 " --> pdb=" O GLU G 417 " (cutoff:3.500A) removed outlier: 4.091A pdb=" N TYR G 424 " --> pdb=" O GLU G 420 " (cutoff:3.500A) Processing helix chain 'G' and resid 455 through 461 removed outlier: 5.085A pdb=" N ARG G 459 " --> pdb=" O TYR G 455 " (cutoff:3.500A) removed outlier: 4.573A pdb=" N TYR G 460 " --> pdb=" O TRP G 456 " (cutoff:3.500A) removed outlier: 5.952A pdb=" N THR G 461 " --> pdb=" O ASP G 457 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 455 through 461' Processing helix chain 'G' and resid 468 through 473 removed outlier: 6.193A pdb=" N GLN G 472 " --> pdb=" O PRO G 468 " (cutoff:3.500A) removed outlier: 6.374A pdb=" N LYS G 473 " --> pdb=" O SER G 469 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 468 through 473' Processing helix chain 'G' and resid 474 through 492 removed outlier: 3.514A pdb=" N ILE G 478 " --> pdb=" O MET G 474 " (cutoff:3.500A) removed outlier: 4.364A pdb=" N LEU G 479 " --> pdb=" O ALA G 475 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N GLY G 482 " --> pdb=" O ILE G 478 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N TYR G 484 " --> pdb=" O SER G 480 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL G 487 " --> pdb=" O LYS G 483 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N VAL G 488 " --> pdb=" O TYR G 484 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N CYS G 491 " --> pdb=" O VAL G 487 " (cutoff:3.500A) Processing helix chain 'G' and resid 510 through 533 removed outlier: 4.124A pdb=" N GLN G 515 " --> pdb=" O ALA G 511 " (cutoff:3.500A) removed outlier: 3.687A pdb=" N GLU G 517 " --> pdb=" O VAL G 513 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N ALA G 519 " --> pdb=" O GLN G 515 " (cutoff:3.500A) removed outlier: 4.153A pdb=" N TYR G 522 " --> pdb=" O LYS G 518 " (cutoff:3.500A) removed outlier: 3.818A pdb=" N LYS G 525 " --> pdb=" O ASN G 521 " (cutoff:3.500A) removed outlier: 3.973A pdb=" N LEU G 527 " --> pdb=" O ALA G 523 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N ASP G 529 " --> pdb=" O LYS G 525 " (cutoff:3.500A) Processing helix chain 'G' and resid 536 through 548 removed outlier: 3.799A pdb=" N TYR G 547 " --> pdb=" O SER G 543 " (cutoff:3.500A) Processing helix chain 'G' and resid 552 through 564 removed outlier: 4.285A pdb=" N PHE G 556 " --> pdb=" O GLN G 552 " (cutoff:3.500A) removed outlier: 4.181A pdb=" N HIS G 558 " --> pdb=" O ASP G 554 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N ASP G 561 " --> pdb=" O VAL G 557 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N LEU G 562 " --> pdb=" O HIS G 558 " (cutoff:3.500A) Processing helix chain 'G' and resid 575 through 590 removed outlier: 4.125A pdb=" N ALA G 581 " --> pdb=" O PRO G 577 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N LEU G 582 " --> pdb=" O ARG G 578 " (cutoff:3.500A) Processing helix chain 'G' and resid 639 through 644 removed outlier: 5.878A pdb=" N ALA G 643 " --> pdb=" O SER G 639 " (cutoff:3.500A) removed outlier: 4.659A pdb=" N PHE G 644 " --> pdb=" O GLY G 640 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 639 through 644' Processing helix chain 'G' and resid 652 through 658 removed outlier: 3.849A pdb=" N LEU G 656 " --> pdb=" O TRP G 652 " (cutoff:3.500A) removed outlier: 4.925A pdb=" N ILE G 657 " --> pdb=" O PRO G 653 " (cutoff:3.500A) Processing helix chain 'G' and resid 661 through 692 removed outlier: 4.668A pdb=" N ARG G 665 " --> pdb=" O LYS G 661 " (cutoff:3.500A) removed outlier: 4.633A pdb=" N TYR G 666 " --> pdb=" O ALA G 662 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N ARG G 671 " --> pdb=" O GLN G 667 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N HIS G 672 " --> pdb=" O MET G 668 " (cutoff:3.500A) removed outlier: 3.992A pdb=" N MET G 673 " --> pdb=" O LEU G 669 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N CYS G 676 " --> pdb=" O HIS G 672 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N GLU G 680 " --> pdb=" O CYS G 676 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N CYS G 684 " --> pdb=" O GLU G 680 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N TRP G 687 " --> pdb=" O LEU G 683 " (cutoff:3.500A) removed outlier: 4.566A pdb=" N ILE G 688 " --> pdb=" O CYS G 684 " (cutoff:3.500A) removed outlier: 4.001A pdb=" N SER G 689 " --> pdb=" O SER G 685 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N ASN G 690 " --> pdb=" O VAL G 686 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N LYS G 691 " --> pdb=" O TRP G 687 " (cutoff:3.500A) removed outlier: 5.065A pdb=" N THR G 692 " --> pdb=" O ILE G 688 " (cutoff:3.500A) Processing helix chain 'G' and resid 706 through 727 removed outlier: 4.285A pdb=" N LEU G 710 " --> pdb=" O GLY G 706 " (cutoff:3.500A) removed outlier: 4.062A pdb=" N ARG G 713 " --> pdb=" O THR G 709 " (cutoff:3.500A) removed outlier: 4.006A pdb=" N PHE G 717 " --> pdb=" O ARG G 713 " (cutoff:3.500A) removed outlier: 4.095A pdb=" N ASN G 720 " --> pdb=" O ASN G 716 " (cutoff:3.500A) removed outlier: 4.374A pdb=" N TYR G 723 " --> pdb=" O GLN G 719 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N TYR G 724 " --> pdb=" O ASN G 720 " (cutoff:3.500A) Processing helix chain 'G' and resid 729 through 744 removed outlier: 3.773A pdb=" N LYS G 742 " --> pdb=" O GLU G 738 " (cutoff:3.500A) removed outlier: 3.913A pdb=" N SER G 743 " --> pdb=" O LYS G 739 " (cutoff:3.500A) removed outlier: 4.348A pdb=" N ALA G 744 " --> pdb=" O ASN G 740 " (cutoff:3.500A) Processing helix chain 'G' and resid 746 through 766 removed outlier: 4.086A pdb=" N GLY G 752 " --> pdb=" O ASP G 748 " (cutoff:3.500A) removed outlier: 4.060A pdb=" N THR G 755 " --> pdb=" O LEU G 751 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N PHE G 757 " --> pdb=" O HIS G 753 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N THR G 760 " --> pdb=" O GLY G 756 " (cutoff:3.500A) removed outlier: 5.262A pdb=" N MET G 766 " --> pdb=" O LEU G 762 " (cutoff:3.500A) Processing helix chain 'G' and resid 773 through 793 removed outlier: 4.633A pdb=" N SER G 777 " --> pdb=" O LEU G 773 " (cutoff:3.500A) removed outlier: 3.617A pdb=" N SER G 781 " --> pdb=" O SER G 777 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N VAL G 782 " --> pdb=" O LYS G 778 " (cutoff:3.500A) removed outlier: 3.880A pdb=" N CYS G 783 " --> pdb=" O LEU G 779 " (cutoff:3.500A) removed outlier: 4.607A pdb=" N PHE G 793 " --> pdb=" O CYS G 789 " (cutoff:3.500A) Processing helix chain 'G' and resid 846 through 871 removed outlier: 4.226A pdb=" N ASN G 851 " --> pdb=" O GLU G 847 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N LYS G 852 " --> pdb=" O ALA G 848 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ALA G 859 " --> pdb=" O LYS G 855 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N LEU G 864 " --> pdb=" O HIS G 860 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N ILE G 870 " --> pdb=" O ALA G 866 " (cutoff:3.500A) removed outlier: 5.237A pdb=" N TYR G 871 " --> pdb=" O ARG G 867 " (cutoff:3.500A) Processing helix chain 'G' and resid 879 through 888 removed outlier: 4.054A pdb=" N VAL G 883 " --> pdb=" O GLY G 879 " (cutoff:3.500A) removed outlier: 5.401A pdb=" N ILE G 884 " --> pdb=" O MET G 880 " (cutoff:3.500A) removed outlier: 4.250A pdb=" N SER G 885 " --> pdb=" O ALA G 881 " (cutoff:3.500A) Processing helix chain 'M' and resid 232 through 237 removed outlier: 3.918A pdb=" N LEU M 236 " --> pdb=" O LEU M 232 " (cutoff:3.500A) Proline residue: M 237 - end of helix No H-bonds generated for 'chain 'M' and resid 232 through 237' Processing helix chain 'M' and resid 239 through 255 removed outlier: 4.527A pdb=" N SER M 243 " --> pdb=" O ALA M 239 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N ALA M 244 " --> pdb=" O SER M 240 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N GLU M 247 " --> pdb=" O SER M 243 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N TYR M 251 " --> pdb=" O GLU M 247 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N VAL M 252 " --> pdb=" O ASP M 248 " (cutoff:3.500A) removed outlier: 3.720A pdb=" N LEU M 253 " --> pdb=" O LEU M 249 " (cutoff:3.500A) removed outlier: 4.811A pdb=" N VAL M 254 " --> pdb=" O LEU M 250 " (cutoff:3.500A) Processing helix chain 'M' and resid 281 through 310 removed outlier: 4.812A pdb=" N LEU M 287 " --> pdb=" O SER M 283 " (cutoff:3.500A) removed outlier: 4.304A pdb=" N ARG M 290 " --> pdb=" O GLU M 286 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N ILE M 291 " --> pdb=" O LEU M 287 " (cutoff:3.500A) Proline residue: M 293 - end of helix removed outlier: 3.786A pdb=" N SER M 297 " --> pdb=" O PRO M 293 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N TYR M 298 " --> pdb=" O VAL M 294 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N VAL M 301 " --> pdb=" O SER M 297 " (cutoff:3.500A) removed outlier: 4.863A pdb=" N ARG M 303 " --> pdb=" O SER M 299 " (cutoff:3.500A) removed outlier: 4.251A pdb=" N PHE M 304 " --> pdb=" O ALA M 300 " (cutoff:3.500A) removed outlier: 3.982A pdb=" N GLU M 307 " --> pdb=" O ARG M 303 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N SER M 309 " --> pdb=" O ILE M 305 " (cutoff:3.500A) removed outlier: 6.483A pdb=" N SER M 310 " --> pdb=" O GLU M 306 " (cutoff:3.500A) Processing helix chain 'M' and resid 314 through 345 removed outlier: 3.926A pdb=" N ALA M 321 " --> pdb=" O ASN M 317 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N ARG M 325 " --> pdb=" O ALA M 321 " (cutoff:3.500A) removed outlier: 4.347A pdb=" N LEU M 327 " --> pdb=" O ALA M 323 " (cutoff:3.500A) removed outlier: 4.259A pdb=" N VAL M 328 " --> pdb=" O MET M 324 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N LEU M 334 " --> pdb=" O GLU M 330 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N SER M 336 " --> pdb=" O LEU M 332 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N LEU M 338 " --> pdb=" O LEU M 334 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N ARG M 343 " --> pdb=" O GLU M 339 " (cutoff:3.500A) removed outlier: 4.207A pdb=" N GLN M 344 " --> pdb=" O GLN M 340 " (cutoff:3.500A) removed outlier: 4.303A pdb=" N GLY M 345 " --> pdb=" O LEU M 341 " (cutoff:3.500A) Processing helix chain 'M' and resid 348 through 357 removed outlier: 4.067A pdb=" N PHE M 354 " --> pdb=" O GLN M 350 " (cutoff:3.500A) removed outlier: 3.515A pdb=" N TYR M 355 " --> pdb=" O LYS M 351 " (cutoff:3.500A) removed outlier: 4.760A pdb=" N GLN M 357 " --> pdb=" O TRP M 353 " (cutoff:3.500A) Processing helix chain 'M' and resid 358 through 377 removed outlier: 3.702A pdb=" N MET M 363 " --> pdb=" O ALA M 359 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N ASP M 364 " --> pdb=" O MET M 360 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ILE M 365 " --> pdb=" O ARG M 361 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N ALA M 367 " --> pdb=" O MET M 363 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N SER M 368 " --> pdb=" O ASP M 364 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N THR M 371 " --> pdb=" O ALA M 367 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N SER M 372 " --> pdb=" O SER M 368 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N ASP M 374 " --> pdb=" O ALA M 370 " (cutoff:3.500A) removed outlier: 4.344A pdb=" N GLU M 377 " --> pdb=" O VAL M 373 " (cutoff:3.500A) Processing helix chain 'M' and resid 380 through 395 removed outlier: 4.067A pdb=" N LEU M 384 " --> pdb=" O GLY M 380 " (cutoff:3.500A) removed outlier: 4.749A pdb=" N LEU M 387 " --> pdb=" O THR M 383 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N HIS M 388 " --> pdb=" O LEU M 384 " (cutoff:3.500A) removed outlier: 4.338A pdb=" N SER M 391 " --> pdb=" O LEU M 387 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N PHE M 392 " --> pdb=" O HIS M 388 " (cutoff:3.500A) removed outlier: 4.414A pdb=" N TYR M 394 " --> pdb=" O ARG M 390 " (cutoff:3.500A) removed outlier: 4.678A pdb=" N THR M 395 " --> pdb=" O SER M 391 " (cutoff:3.500A) Processing helix chain 'M' and resid 397 through 424 removed outlier: 5.888A pdb=" N GLN M 401 " --> pdb=" O ASP M 397 " (cutoff:3.500A) removed outlier: 4.379A pdb=" N GLU M 402 " --> pdb=" O SER M 398 " (cutoff:3.500A) removed outlier: 4.733A pdb=" N LEU M 403 " --> pdb=" O GLN M 399 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N CYS M 404 " --> pdb=" O ALA M 400 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N TYR M 406 " --> pdb=" O GLU M 402 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N THR M 408 " --> pdb=" O CYS M 404 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N LYS M 409 " --> pdb=" O LEU M 405 " (cutoff:3.500A) removed outlier: 4.730A pdb=" N ALA M 413 " --> pdb=" O LYS M 409 " (cutoff:3.500A) Proline residue: M 414 - end of helix removed outlier: 3.699A pdb=" N VAL M 418 " --> pdb=" O PRO M 414 " (cutoff:3.500A) removed outlier: 4.007A pdb=" N LYS M 421 " --> pdb=" O GLU M 417 " (cutoff:3.500A) removed outlier: 4.090A pdb=" N TYR M 424 " --> pdb=" O GLU M 420 " (cutoff:3.500A) Processing helix chain 'M' and resid 455 through 461 removed outlier: 5.085A pdb=" N ARG M 459 " --> pdb=" O TYR M 455 " (cutoff:3.500A) removed outlier: 4.572A pdb=" N TYR M 460 " --> pdb=" O TRP M 456 " (cutoff:3.500A) removed outlier: 5.952A pdb=" N THR M 461 " --> pdb=" O ASP M 457 " (cutoff:3.500A) No H-bonds generated for 'chain 'M' and resid 455 through 461' Processing helix chain 'M' and resid 468 through 473 removed outlier: 6.192A pdb=" N GLN M 472 " --> pdb=" O PRO M 468 " (cutoff:3.500A) removed outlier: 6.375A pdb=" N LYS M 473 " --> pdb=" O SER M 469 " (cutoff:3.500A) No H-bonds generated for 'chain 'M' and resid 468 through 473' Processing helix chain 'M' and resid 474 through 492 removed outlier: 3.514A pdb=" N ILE M 478 " --> pdb=" O MET M 474 " (cutoff:3.500A) removed outlier: 4.364A pdb=" N LEU M 479 " --> pdb=" O ALA M 475 " (cutoff:3.500A) removed outlier: 3.565A pdb=" N GLY M 482 " --> pdb=" O ILE M 478 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N TYR M 484 " --> pdb=" O SER M 480 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N VAL M 487 " --> pdb=" O LYS M 483 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N VAL M 488 " --> pdb=" O TYR M 484 " (cutoff:3.500A) removed outlier: 4.794A pdb=" N CYS M 491 " --> pdb=" O VAL M 487 " (cutoff:3.500A) Processing helix chain 'M' and resid 510 through 533 removed outlier: 4.124A pdb=" N GLN M 515 " --> pdb=" O ALA M 511 " (cutoff:3.500A) removed outlier: 3.688A pdb=" N GLU M 517 " --> pdb=" O VAL M 513 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N ALA M 519 " --> pdb=" O GLN M 515 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N TYR M 522 " --> pdb=" O LYS M 518 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N LYS M 525 " --> pdb=" O ASN M 521 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N LEU M 527 " --> pdb=" O ALA M 523 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N ASP M 529 " --> pdb=" O LYS M 525 " (cutoff:3.500A) Processing helix chain 'M' and resid 536 through 548 removed outlier: 4.139A pdb=" N HIS M 540 " --> pdb=" O GLU M 536 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N ARG M 542 " --> pdb=" O VAL M 538 " (cutoff:3.500A) removed outlier: 4.820A pdb=" N SER M 543 " --> pdb=" O ALA M 539 " (cutoff:3.500A) removed outlier: 3.868A pdb=" N ILE M 544 " --> pdb=" O HIS M 540 " (cutoff:3.500A) removed outlier: 3.753A pdb=" N TYR M 547 " --> pdb=" O SER M 543 " (cutoff:3.500A) Processing helix chain 'M' and resid 552 through 564 removed outlier: 4.284A pdb=" N PHE M 556 " --> pdb=" O GLN M 552 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N HIS M 558 " --> pdb=" O ASP M 554 " (cutoff:3.500A) removed outlier: 3.905A pdb=" N ASP M 561 " --> pdb=" O VAL M 557 " (cutoff:3.500A) removed outlier: 3.579A pdb=" N LEU M 562 " --> pdb=" O HIS M 558 " (cutoff:3.500A) Processing helix chain 'M' and resid 575 through 590 removed outlier: 3.988A pdb=" N ALA M 581 " --> pdb=" O PRO M 577 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N LEU M 582 " --> pdb=" O ARG M 578 " (cutoff:3.500A) Processing helix chain 'M' and resid 639 through 644 removed outlier: 5.878A pdb=" N ALA M 643 " --> pdb=" O SER M 639 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N PHE M 644 " --> pdb=" O GLY M 640 " (cutoff:3.500A) No H-bonds generated for 'chain 'M' and resid 639 through 644' Processing helix chain 'M' and resid 652 through 658 removed outlier: 3.849A pdb=" N LEU M 656 " --> pdb=" O TRP M 652 " (cutoff:3.500A) removed outlier: 4.949A pdb=" N ILE M 657 " --> pdb=" O PRO M 653 " (cutoff:3.500A) Processing helix chain 'M' and resid 661 through 692 removed outlier: 4.668A pdb=" N ARG M 665 " --> pdb=" O LYS M 661 " (cutoff:3.500A) removed outlier: 4.634A pdb=" N TYR M 666 " --> pdb=" O ALA M 662 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N ARG M 671 " --> pdb=" O GLN M 667 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N HIS M 672 " --> pdb=" O MET M 668 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N MET M 673 " --> pdb=" O LEU M 669 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N CYS M 676 " --> pdb=" O HIS M 672 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N GLU M 680 " --> pdb=" O CYS M 676 " (cutoff:3.500A) removed outlier: 3.677A pdb=" N CYS M 684 " --> pdb=" O GLU M 680 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N TRP M 687 " --> pdb=" O LEU M 683 " (cutoff:3.500A) removed outlier: 4.565A pdb=" N ILE M 688 " --> pdb=" O CYS M 684 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N SER M 689 " --> pdb=" O SER M 685 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ASN M 690 " --> pdb=" O VAL M 686 " (cutoff:3.500A) removed outlier: 4.023A pdb=" N LYS M 691 " --> pdb=" O TRP M 687 " (cutoff:3.500A) removed outlier: 5.064A pdb=" N THR M 692 " --> pdb=" O ILE M 688 " (cutoff:3.500A) Processing helix chain 'M' and resid 706 through 727 removed outlier: 4.284A pdb=" N LEU M 710 " --> pdb=" O GLY M 706 " (cutoff:3.500A) removed outlier: 4.063A pdb=" N ARG M 713 " --> pdb=" O THR M 709 " (cutoff:3.500A) removed outlier: 4.006A pdb=" N PHE M 717 " --> pdb=" O ARG M 713 " (cutoff:3.500A) removed outlier: 4.095A pdb=" N ASN M 720 " --> pdb=" O ASN M 716 " (cutoff:3.500A) removed outlier: 4.374A pdb=" N TYR M 723 " --> pdb=" O GLN M 719 " (cutoff:3.500A) removed outlier: 3.984A pdb=" N TYR M 724 " --> pdb=" O ASN M 720 " (cutoff:3.500A) Processing helix chain 'M' and resid 729 through 744 removed outlier: 3.540A pdb=" N LYS M 739 " --> pdb=" O HIS M 735 " (cutoff:3.500A) removed outlier: 3.719A pdb=" N LYS M 742 " --> pdb=" O GLU M 738 " (cutoff:3.500A) removed outlier: 3.913A pdb=" N SER M 743 " --> pdb=" O LYS M 739 " (cutoff:3.500A) removed outlier: 4.348A pdb=" N ALA M 744 " --> pdb=" O ASN M 740 " (cutoff:3.500A) Processing helix chain 'M' and resid 746 through 766 removed outlier: 4.085A pdb=" N GLY M 752 " --> pdb=" O ASP M 748 " (cutoff:3.500A) removed outlier: 4.060A pdb=" N THR M 755 " --> pdb=" O LEU M 751 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N PHE M 757 " --> pdb=" O HIS M 753 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N THR M 760 " --> pdb=" O GLY M 756 " (cutoff:3.500A) removed outlier: 5.262A pdb=" N MET M 766 " --> pdb=" O LEU M 762 " (cutoff:3.500A) Processing helix chain 'M' and resid 773 through 793 removed outlier: 4.635A pdb=" N SER M 777 " --> pdb=" O LEU M 773 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N SER M 781 " --> pdb=" O SER M 777 " (cutoff:3.500A) removed outlier: 3.966A pdb=" N VAL M 782 " --> pdb=" O LYS M 778 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N CYS M 783 " --> pdb=" O LEU M 779 " (cutoff:3.500A) removed outlier: 4.607A pdb=" N PHE M 793 " --> pdb=" O CYS M 789 " (cutoff:3.500A) Processing helix chain 'M' and resid 846 through 871 removed outlier: 4.226A pdb=" N ASN M 851 " --> pdb=" O GLU M 847 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N LYS M 852 " --> pdb=" O ALA M 848 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N ALA M 859 " --> pdb=" O LYS M 855 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N LEU M 864 " --> pdb=" O HIS M 860 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N ILE M 870 " --> pdb=" O ALA M 866 " (cutoff:3.500A) removed outlier: 5.238A pdb=" N TYR M 871 " --> pdb=" O ARG M 867 " (cutoff:3.500A) Processing helix chain 'M' and resid 879 through 888 removed outlier: 4.055A pdb=" N VAL M 883 " --> pdb=" O GLY M 879 " (cutoff:3.500A) removed outlier: 5.400A pdb=" N ILE M 884 " --> pdb=" O MET M 880 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N SER M 885 " --> pdb=" O ALA M 881 " (cutoff:3.500A) Processing helix chain 'B' and resid 246 through 260 removed outlier: 3.655A pdb=" N LEU B 250 " --> pdb=" O THR B 246 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N LEU B 255 " --> pdb=" O VAL B 251 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N TYR B 256 " --> pdb=" O ARG B 252 " (cutoff:3.500A) removed outlier: 5.125A pdb=" N GLN B 259 " --> pdb=" O LEU B 255 " (cutoff:3.500A) Processing helix chain 'B' and resid 285 through 315 removed outlier: 4.189A pdb=" N THR B 290 " --> pdb=" O SER B 286 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ARG B 293 " --> pdb=" O ASP B 289 " (cutoff:3.500A) removed outlier: 3.919A pdb=" N GLY B 298 " --> pdb=" O LEU B 294 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N TYR B 307 " --> pdb=" O LYS B 303 " (cutoff:3.500A) removed outlier: 3.676A pdb=" N THR B 308 " --> pdb=" O ILE B 304 " (cutoff:3.500A) removed outlier: 4.449A pdb=" N SER B 312 " --> pdb=" O THR B 308 " (cutoff:3.500A) removed outlier: 3.892A pdb=" N LEU B 313 " --> pdb=" O ASP B 309 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N ASP B 314 " --> pdb=" O GLN B 310 " (cutoff:3.500A) removed outlier: 5.932A pdb=" N ARG B 315 " --> pdb=" O ARG B 311 " (cutoff:3.500A) Processing helix chain 'B' and resid 318 through 347 removed outlier: 4.204A pdb=" N GLN B 322 " --> pdb=" O GLY B 318 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N SER B 323 " --> pdb=" O LEU B 319 " (cutoff:3.500A) removed outlier: 4.520A pdb=" N HIS B 329 " --> pdb=" O CYS B 325 " (cutoff:3.500A) removed outlier: 4.731A pdb=" N GLN B 330 " --> pdb=" O ALA B 326 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N GLU B 331 " --> pdb=" O ALA B 327 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N LEU B 332 " --> pdb=" O LEU B 328 " (cutoff:3.500A) removed outlier: 4.123A pdb=" N GLU B 334 " --> pdb=" O GLN B 330 " (cutoff:3.500A) removed outlier: 4.667A pdb=" N TYR B 335 " --> pdb=" O GLU B 331 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N LEU B 339 " --> pdb=" O TYR B 335 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLN B 345 " --> pdb=" O VAL B 341 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N LEU B 346 " --> pdb=" O LEU B 342 " (cutoff:3.500A) removed outlier: 4.391A pdb=" N GLN B 347 " --> pdb=" O HIS B 343 " (cutoff:3.500A) Processing helix chain 'B' and resid 363 through 389 removed outlier: 4.381A pdb=" N VAL B 369 " --> pdb=" O ARG B 365 " (cutoff:3.500A) removed outlier: 4.990A pdb=" N ASP B 373 " --> pdb=" O VAL B 369 " (cutoff:3.500A) Proline residue: B 374 - end of helix removed outlier: 3.526A pdb=" N ARG B 377 " --> pdb=" O ASP B 373 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N LEU B 378 " --> pdb=" O PRO B 374 " (cutoff:3.500A) removed outlier: 4.124A pdb=" N LYS B 379 " --> pdb=" O LYS B 375 " (cutoff:3.500A) removed outlier: 4.225A pdb=" N ALA B 382 " --> pdb=" O LEU B 378 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N ALA B 383 " --> pdb=" O LYS B 379 " (cutoff:3.500A) removed outlier: 4.769A pdb=" N ASP B 386 " --> pdb=" O ALA B 382 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N HIS B 387 " --> pdb=" O ALA B 383 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N CYS B 388 " --> pdb=" O LEU B 384 " (cutoff:3.500A) removed outlier: 4.419A pdb=" N GLN B 389 " --> pdb=" O VAL B 385 " (cutoff:3.500A) Processing helix chain 'B' and resid 393 through 405 removed outlier: 3.705A pdb=" N ALA B 397 " --> pdb=" O GLY B 393 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA B 399 " --> pdb=" O GLU B 395 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N HIS B 401 " --> pdb=" O ALA B 397 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N ALA B 402 " --> pdb=" O SER B 398 " (cutoff:3.500A) removed outlier: 4.827A pdb=" N TYR B 403 " --> pdb=" O ALA B 399 " (cutoff:3.500A) removed outlier: 4.937A pdb=" N THR B 404 " --> pdb=" O VAL B 400 " (cutoff:3.500A) removed outlier: 4.534A pdb=" N LYS B 405 " --> pdb=" O HIS B 401 " (cutoff:3.500A) Processing helix chain 'B' and resid 410 through 431 removed outlier: 3.638A pdb=" N LEU B 414 " --> pdb=" O TYR B 410 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N GLN B 416 " --> pdb=" O ARG B 412 " (cutoff:3.500A) removed outlier: 4.555A pdb=" N HIS B 417 " --> pdb=" O SER B 413 " (cutoff:3.500A) removed outlier: 4.187A pdb=" N SER B 420 " --> pdb=" O GLN B 416 " (cutoff:3.500A) removed outlier: 4.418A pdb=" N HIS B 424 " --> pdb=" O SER B 420 " (cutoff:3.500A) Proline residue: B 425 - end of helix removed outlier: 3.707A pdb=" N TYR B 431 " --> pdb=" O LEU B 427 " (cutoff:3.500A) Processing helix chain 'B' and resid 476 through 496 removed outlier: 3.894A pdb=" N ARG B 481 " --> pdb=" O MET B 477 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N LYS B 482 " --> pdb=" O ASP B 478 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N VAL B 483 " --> pdb=" O GLN B 479 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N LEU B 484 " --> pdb=" O SER B 480 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N LEU B 485 " --> pdb=" O ARG B 481 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N VAL B 496 " --> pdb=" O PHE B 492 " (cutoff:3.500A) Processing helix chain 'B' and resid 527 through 552 removed outlier: 4.443A pdb=" N GLN B 531 " --> pdb=" O GLU B 527 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N GLU B 540 " --> pdb=" O ALA B 536 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N THR B 541 " --> pdb=" O ALA B 537 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N LYS B 543 " --> pdb=" O PHE B 539 " (cutoff:3.500A) removed outlier: 3.701A pdb=" N ASP B 547 " --> pdb=" O LYS B 543 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N LYS B 552 " --> pdb=" O VAL B 548 " (cutoff:3.500A) Processing helix chain 'B' and resid 554 through 566 removed outlier: 3.518A pdb=" N MET B 559 " --> pdb=" O LEU B 555 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N TYR B 565 " --> pdb=" O ALA B 561 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU B 566 " --> pdb=" O MET B 562 " (cutoff:3.500A) Processing helix chain 'B' and resid 570 through 584 removed outlier: 5.993A pdb=" N ILE B 574 " --> pdb=" O GLN B 570 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N HIS B 576 " --> pdb=" O ASP B 572 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N LYS B 582 " --> pdb=" O MET B 578 " (cutoff:3.500A) Proline residue: B 583 - end of helix Processing helix chain 'B' and resid 588 through 593 removed outlier: 4.065A pdb=" N LEU B 592 " --> pdb=" O PRO B 588 " (cutoff:3.500A) removed outlier: 5.453A pdb=" N TYR B 593 " --> pdb=" O ALA B 589 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 588 through 593' Processing helix chain 'B' and resid 594 through 608 removed outlier: 3.606A pdb=" N THR B 598 " --> pdb=" O GLN B 594 " (cutoff:3.500A) removed outlier: 4.762A pdb=" N GLY B 599 " --> pdb=" O HIS B 595 " (cutoff:3.500A) removed outlier: 3.944A pdb=" N ILE B 600 " --> pdb=" O ASN B 596 " (cutoff:3.500A) Processing helix chain 'B' and resid 614 through 622 removed outlier: 3.833A pdb=" N ARG B 620 " --> pdb=" O GLU B 616 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N LEU B 621 " --> pdb=" O ILE B 617 " (cutoff:3.500A) removed outlier: 5.978A pdb=" N ASP B 622 " --> pdb=" O LEU B 618 " (cutoff:3.500A) Processing helix chain 'B' and resid 633 through 638 removed outlier: 3.714A pdb=" N VAL B 637 " --> pdb=" O THR B 633 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N PHE B 638 " --> pdb=" O GLY B 634 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 633 through 638' Processing helix chain 'B' and resid 646 through 653 removed outlier: 4.268A pdb=" N THR B 650 " --> pdb=" O GLY B 646 " (cutoff:3.500A) removed outlier: 4.647A pdb=" N VAL B 651 " --> pdb=" O PRO B 647 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N PHE B 652 " --> pdb=" O ILE B 648 " (cutoff:3.500A) Processing helix chain 'B' and resid 654 through 691 removed outlier: 3.644A pdb=" N SER B 658 " --> pdb=" O ARG B 654 " (cutoff:3.500A) removed outlier: 3.861A pdb=" N LEU B 661 " --> pdb=" O MET B 657 " (cutoff:3.500A) removed outlier: 4.152A pdb=" N ARG B 662 " --> pdb=" O SER B 658 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N ASN B 665 " --> pdb=" O LEU B 661 " (cutoff:3.500A) removed outlier: 4.553A pdb=" N PHE B 666 " --> pdb=" O ARG B 662 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N GLU B 674 " --> pdb=" O ALA B 670 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N LEU B 677 " --> pdb=" O MET B 673 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N ARG B 681 " --> pdb=" O LEU B 677 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ALA B 688 " --> pdb=" O HIS B 684 " (cutoff:3.500A) removed outlier: 5.117A pdb=" N LYS B 689 " --> pdb=" O MET B 685 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N LEU B 690 " --> pdb=" O CYS B 686 " (cutoff:3.500A) Processing helix chain 'B' and resid 694 through 725 removed outlier: 3.814A pdb=" N SER B 698 " --> pdb=" O MET B 694 " (cutoff:3.500A) removed outlier: 4.578A pdb=" N GLY B 699 " --> pdb=" O PRO B 695 " (cutoff:3.500A) removed outlier: 5.227A pdb=" N VAL B 700 " --> pdb=" O GLU B 696 " (cutoff:3.500A) removed outlier: 4.319A pdb=" N GLN B 703 " --> pdb=" O GLY B 699 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N CYS B 704 " --> pdb=" O VAL B 700 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N ALA B 708 " --> pdb=" O CYS B 704 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N HIS B 713 " --> pdb=" O SER B 709 " (cutoff:3.500A) removed outlier: 4.056A pdb=" N PHE B 714 " --> pdb=" O GLU B 710 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N TYR B 720 " --> pdb=" O HIS B 716 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR B 723 " --> pdb=" O GLN B 719 " (cutoff:3.500A) Processing helix chain 'B' and resid 728 through 741 removed outlier: 3.788A pdb=" N ASP B 732 " --> pdb=" O GLU B 728 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU B 733 " --> pdb=" O CYS B 729 " (cutoff:3.500A) removed outlier: 3.906A pdb=" N LEU B 734 " --> pdb=" O SER B 730 " (cutoff:3.500A) removed outlier: 3.978A pdb=" N LYS B 737 " --> pdb=" O GLU B 733 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N GLN B 739 " --> pdb=" O TRP B 735 " (cutoff:3.500A) removed outlier: 4.111A pdb=" N GLN B 740 " --> pdb=" O ASN B 736 " (cutoff:3.500A) removed outlier: 4.227A pdb=" N ALA B 741 " --> pdb=" O LYS B 737 " (cutoff:3.500A) Processing helix chain 'B' and resid 743 through 763 removed outlier: 6.148A pdb=" N ILE B 747 " --> pdb=" O ASP B 743 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N ILE B 748 " --> pdb=" O LEU B 744 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N ALA B 749 " --> pdb=" O ASP B 745 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N VAL B 753 " --> pdb=" O ALA B 749 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE B 754 " --> pdb=" O ALA B 750 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N LEU B 755 " --> pdb=" O HIS B 751 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N ILE B 758 " --> pdb=" O PHE B 754 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N ILE B 759 " --> pdb=" O LEU B 755 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N SER B 760 " --> pdb=" O ASP B 756 " (cutoff:3.500A) removed outlier: 4.467A pdb=" N LEU B 763 " --> pdb=" O ILE B 759 " (cutoff:3.500A) Processing helix chain 'B' and resid 768 through 811 removed outlier: 3.610A pdb=" N GLN B 774 " --> pdb=" O ALA B 770 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N ALA B 777 " --> pdb=" O ASN B 773 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N VAL B 778 " --> pdb=" O GLN B 774 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N ILE B 782 " --> pdb=" O VAL B 778 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N ILE B 783 " --> pdb=" O PHE B 779 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP B 790 " --> pdb=" O GLN B 786 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ALA B 791 " --> pdb=" O ASN B 787 " (cutoff:3.500A) removed outlier: 4.279A pdb=" N ILE B 792 " --> pdb=" O ALA B 788 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ALA B 796 " --> pdb=" O ILE B 792 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N GLU B 799 " --> pdb=" O ALA B 795 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N GLU B 807 " --> pdb=" O ARG B 803 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N LYS B 809 " --> pdb=" O GLN B 805 " (cutoff:3.500A) removed outlier: 5.202A pdb=" N LYS B 810 " --> pdb=" O PHE B 806 " (cutoff:3.500A) Processing helix chain 'B' and resid 826 through 867 removed outlier: 3.900A pdb=" N ASN B 830 " --> pdb=" O GLU B 826 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N LYS B 831 " --> pdb=" O GLU B 827 " (cutoff:3.500A) removed outlier: 4.142A pdb=" N ARG B 832 " --> pdb=" O GLU B 828 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N ILE B 840 " --> pdb=" O PHE B 836 " (cutoff:3.500A) Proline residue: B 841 - end of helix removed outlier: 3.574A pdb=" N GLN B 846 " --> pdb=" O LYS B 842 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N HIS B 852 " --> pdb=" O ARG B 848 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N GLY B 856 " --> pdb=" O HIS B 852 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N GLN B 860 " --> pdb=" O GLY B 856 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N VAL B 863 " --> pdb=" O GLN B 859 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU B 864 " --> pdb=" O GLN B 860 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU B 865 " --> pdb=" O PHE B 861 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N THR B 866 " --> pdb=" O LEU B 862 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N THR B 867 " --> pdb=" O VAL B 863 " (cutoff:3.500A) Processing helix chain 'B' and resid 870 through 882 removed outlier: 5.585A pdb=" N ARG B 874 " --> pdb=" O ASP B 870 " (cutoff:3.500A) removed outlier: 4.315A pdb=" N PHE B 875 " --> pdb=" O GLU B 871 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N LEU B 876 " --> pdb=" O SER B 872 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N PHE B 878 " --> pdb=" O ARG B 874 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N ARG B 879 " --> pdb=" O PHE B 875 " (cutoff:3.500A) Processing helix chain 'B' and resid 432 through 437 Processing helix chain 'D' and resid 246 through 260 removed outlier: 3.640A pdb=" N LEU D 250 " --> pdb=" O THR D 246 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N LEU D 255 " --> pdb=" O VAL D 251 " (cutoff:3.500A) removed outlier: 4.092A pdb=" N TYR D 256 " --> pdb=" O ARG D 252 " (cutoff:3.500A) removed outlier: 4.972A pdb=" N GLN D 259 " --> pdb=" O LEU D 255 " (cutoff:3.500A) Processing helix chain 'D' and resid 285 through 315 removed outlier: 4.855A pdb=" N THR D 290 " --> pdb=" O SER D 286 " (cutoff:3.500A) removed outlier: 3.598A pdb=" N GLU D 296 " --> pdb=" O VAL D 292 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N LEU D 297 " --> pdb=" O ARG D 293 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N GLY D 298 " --> pdb=" O LEU D 294 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N TRP D 299 " --> pdb=" O SER D 295 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N LEU D 300 " --> pdb=" O GLU D 296 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N LYS D 303 " --> pdb=" O TRP D 299 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N ILE D 304 " --> pdb=" O LEU D 300 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N ASP D 314 " --> pdb=" O GLN D 310 " (cutoff:3.500A) removed outlier: 5.933A pdb=" N ARG D 315 " --> pdb=" O ARG D 311 " (cutoff:3.500A) Processing helix chain 'D' and resid 318 through 347 removed outlier: 3.928A pdb=" N GLN D 322 " --> pdb=" O GLY D 318 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N HIS D 329 " --> pdb=" O CYS D 325 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N GLN D 330 " --> pdb=" O ALA D 326 " (cutoff:3.500A) removed outlier: 4.138A pdb=" N GLU D 331 " --> pdb=" O ALA D 327 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N LEU D 332 " --> pdb=" O LEU D 328 " (cutoff:3.500A) removed outlier: 4.123A pdb=" N GLU D 334 " --> pdb=" O GLN D 330 " (cutoff:3.500A) removed outlier: 4.667A pdb=" N TYR D 335 " --> pdb=" O GLU D 331 " (cutoff:3.500A) removed outlier: 3.603A pdb=" N LEU D 339 " --> pdb=" O TYR D 335 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N LEU D 346 " --> pdb=" O LEU D 342 " (cutoff:3.500A) Processing helix chain 'D' and resid 363 through 389 removed outlier: 5.111A pdb=" N VAL D 369 " --> pdb=" O ARG D 365 " (cutoff:3.500A) removed outlier: 4.990A pdb=" N ASP D 373 " --> pdb=" O VAL D 369 " (cutoff:3.500A) Proline residue: D 374 - end of helix removed outlier: 3.527A pdb=" N ARG D 377 " --> pdb=" O ASP D 373 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N LEU D 378 " --> pdb=" O PRO D 374 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N LYS D 379 " --> pdb=" O LYS D 375 " (cutoff:3.500A) removed outlier: 4.225A pdb=" N ALA D 382 " --> pdb=" O LEU D 378 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N ALA D 383 " --> pdb=" O LYS D 379 " (cutoff:3.500A) removed outlier: 4.769A pdb=" N ASP D 386 " --> pdb=" O ALA D 382 " (cutoff:3.500A) removed outlier: 3.952A pdb=" N HIS D 387 " --> pdb=" O ALA D 383 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N CYS D 388 " --> pdb=" O LEU D 384 " (cutoff:3.500A) removed outlier: 4.419A pdb=" N GLN D 389 " --> pdb=" O VAL D 385 " (cutoff:3.500A) Processing helix chain 'D' and resid 393 through 405 removed outlier: 3.705A pdb=" N ALA D 397 " --> pdb=" O GLY D 393 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA D 399 " --> pdb=" O GLU D 395 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N HIS D 401 " --> pdb=" O ALA D 397 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N ALA D 402 " --> pdb=" O SER D 398 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N TYR D 403 " --> pdb=" O ALA D 399 " (cutoff:3.500A) removed outlier: 4.936A pdb=" N THR D 404 " --> pdb=" O VAL D 400 " (cutoff:3.500A) removed outlier: 4.535A pdb=" N LYS D 405 " --> pdb=" O HIS D 401 " (cutoff:3.500A) Processing helix chain 'D' and resid 410 through 431 removed outlier: 3.639A pdb=" N LEU D 414 " --> pdb=" O TYR D 410 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N GLN D 416 " --> pdb=" O ARG D 412 " (cutoff:3.500A) removed outlier: 4.555A pdb=" N HIS D 417 " --> pdb=" O SER D 413 " (cutoff:3.500A) removed outlier: 4.134A pdb=" N SER D 420 " --> pdb=" O GLN D 416 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N HIS D 424 " --> pdb=" O SER D 420 " (cutoff:3.500A) Proline residue: D 425 - end of helix removed outlier: 3.504A pdb=" N LEU D 430 " --> pdb=" O VAL D 426 " (cutoff:3.500A) Processing helix chain 'D' and resid 476 through 496 removed outlier: 3.894A pdb=" N ARG D 481 " --> pdb=" O MET D 477 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N LYS D 482 " --> pdb=" O ASP D 478 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N VAL D 483 " --> pdb=" O GLN D 479 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N LEU D 484 " --> pdb=" O SER D 480 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N LEU D 485 " --> pdb=" O ARG D 481 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N VAL D 496 " --> pdb=" O PHE D 492 " (cutoff:3.500A) Processing helix chain 'D' and resid 527 through 552 removed outlier: 4.443A pdb=" N GLN D 531 " --> pdb=" O GLU D 527 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N GLU D 540 " --> pdb=" O ALA D 536 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N THR D 541 " --> pdb=" O ALA D 537 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N LYS D 543 " --> pdb=" O PHE D 539 " (cutoff:3.500A) removed outlier: 3.701A pdb=" N ASP D 547 " --> pdb=" O LYS D 543 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N LYS D 552 " --> pdb=" O VAL D 548 " (cutoff:3.500A) Processing helix chain 'D' and resid 554 through 566 removed outlier: 3.518A pdb=" N MET D 559 " --> pdb=" O LEU D 555 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N TYR D 565 " --> pdb=" O ALA D 561 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU D 566 " --> pdb=" O MET D 562 " (cutoff:3.500A) Processing helix chain 'D' and resid 570 through 584 removed outlier: 5.993A pdb=" N ILE D 574 " --> pdb=" O GLN D 570 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N HIS D 576 " --> pdb=" O ASP D 572 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N LYS D 582 " --> pdb=" O MET D 578 " (cutoff:3.500A) Proline residue: D 583 - end of helix Processing helix chain 'D' and resid 588 through 593 removed outlier: 4.066A pdb=" N LEU D 592 " --> pdb=" O PRO D 588 " (cutoff:3.500A) removed outlier: 5.454A pdb=" N TYR D 593 " --> pdb=" O ALA D 589 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 588 through 593' Processing helix chain 'D' and resid 594 through 608 removed outlier: 3.607A pdb=" N THR D 598 " --> pdb=" O GLN D 594 " (cutoff:3.500A) removed outlier: 4.762A pdb=" N GLY D 599 " --> pdb=" O HIS D 595 " (cutoff:3.500A) removed outlier: 3.944A pdb=" N ILE D 600 " --> pdb=" O ASN D 596 " (cutoff:3.500A) Processing helix chain 'D' and resid 614 through 622 removed outlier: 3.834A pdb=" N ARG D 620 " --> pdb=" O GLU D 616 " (cutoff:3.500A) removed outlier: 3.625A pdb=" N LEU D 621 " --> pdb=" O ILE D 617 " (cutoff:3.500A) removed outlier: 5.979A pdb=" N ASP D 622 " --> pdb=" O LEU D 618 " (cutoff:3.500A) Processing helix chain 'D' and resid 633 through 638 removed outlier: 3.714A pdb=" N VAL D 637 " --> pdb=" O THR D 633 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N PHE D 638 " --> pdb=" O GLY D 634 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 633 through 638' Processing helix chain 'D' and resid 646 through 653 removed outlier: 4.268A pdb=" N THR D 650 " --> pdb=" O GLY D 646 " (cutoff:3.500A) removed outlier: 4.646A pdb=" N VAL D 651 " --> pdb=" O PRO D 647 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N PHE D 652 " --> pdb=" O ILE D 648 " (cutoff:3.500A) Processing helix chain 'D' and resid 654 through 691 removed outlier: 3.644A pdb=" N SER D 658 " --> pdb=" O ARG D 654 " (cutoff:3.500A) removed outlier: 3.861A pdb=" N LEU D 661 " --> pdb=" O MET D 657 " (cutoff:3.500A) removed outlier: 4.152A pdb=" N ARG D 662 " --> pdb=" O SER D 658 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N ASN D 665 " --> pdb=" O LEU D 661 " (cutoff:3.500A) removed outlier: 4.553A pdb=" N PHE D 666 " --> pdb=" O ARG D 662 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N GLU D 674 " --> pdb=" O ALA D 670 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N LEU D 677 " --> pdb=" O MET D 673 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ARG D 681 " --> pdb=" O LEU D 677 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N ALA D 688 " --> pdb=" O HIS D 684 " (cutoff:3.500A) removed outlier: 5.118A pdb=" N LYS D 689 " --> pdb=" O MET D 685 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N LEU D 690 " --> pdb=" O CYS D 686 " (cutoff:3.500A) Processing helix chain 'D' and resid 694 through 725 removed outlier: 3.813A pdb=" N SER D 698 " --> pdb=" O MET D 694 " (cutoff:3.500A) removed outlier: 4.579A pdb=" N GLY D 699 " --> pdb=" O PRO D 695 " (cutoff:3.500A) removed outlier: 5.228A pdb=" N VAL D 700 " --> pdb=" O GLU D 696 " (cutoff:3.500A) removed outlier: 4.319A pdb=" N GLN D 703 " --> pdb=" O GLY D 699 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N CYS D 704 " --> pdb=" O VAL D 700 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N ALA D 708 " --> pdb=" O CYS D 704 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N HIS D 713 " --> pdb=" O SER D 709 " (cutoff:3.500A) removed outlier: 4.056A pdb=" N PHE D 714 " --> pdb=" O GLU D 710 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N TYR D 720 " --> pdb=" O HIS D 716 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR D 723 " --> pdb=" O GLN D 719 " (cutoff:3.500A) Processing helix chain 'D' and resid 728 through 741 removed outlier: 3.787A pdb=" N ASP D 732 " --> pdb=" O GLU D 728 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU D 733 " --> pdb=" O CYS D 729 " (cutoff:3.500A) removed outlier: 3.906A pdb=" N LEU D 734 " --> pdb=" O SER D 730 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N LYS D 737 " --> pdb=" O GLU D 733 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N GLN D 739 " --> pdb=" O TRP D 735 " (cutoff:3.500A) removed outlier: 4.111A pdb=" N GLN D 740 " --> pdb=" O ASN D 736 " (cutoff:3.500A) removed outlier: 4.227A pdb=" N ALA D 741 " --> pdb=" O LYS D 737 " (cutoff:3.500A) Processing helix chain 'D' and resid 743 through 763 removed outlier: 6.149A pdb=" N ILE D 747 " --> pdb=" O ASP D 743 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N ILE D 748 " --> pdb=" O LEU D 744 " (cutoff:3.500A) removed outlier: 3.771A pdb=" N ALA D 749 " --> pdb=" O ASP D 745 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N VAL D 753 " --> pdb=" O ALA D 749 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE D 754 " --> pdb=" O ALA D 750 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N LEU D 755 " --> pdb=" O HIS D 751 " (cutoff:3.500A) removed outlier: 3.915A pdb=" N ILE D 758 " --> pdb=" O PHE D 754 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N ILE D 759 " --> pdb=" O LEU D 755 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N SER D 760 " --> pdb=" O ASP D 756 " (cutoff:3.500A) removed outlier: 4.467A pdb=" N LEU D 763 " --> pdb=" O ILE D 759 " (cutoff:3.500A) Processing helix chain 'D' and resid 768 through 811 removed outlier: 3.609A pdb=" N GLN D 774 " --> pdb=" O ALA D 770 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N ALA D 777 " --> pdb=" O ASN D 773 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N VAL D 778 " --> pdb=" O GLN D 774 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N ILE D 782 " --> pdb=" O VAL D 778 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N ILE D 783 " --> pdb=" O PHE D 779 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP D 790 " --> pdb=" O GLN D 786 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ALA D 791 " --> pdb=" O ASN D 787 " (cutoff:3.500A) removed outlier: 4.279A pdb=" N ILE D 792 " --> pdb=" O ALA D 788 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ALA D 796 " --> pdb=" O ILE D 792 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N GLU D 799 " --> pdb=" O ALA D 795 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N GLU D 807 " --> pdb=" O ARG D 803 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N LYS D 809 " --> pdb=" O GLN D 805 " (cutoff:3.500A) removed outlier: 5.202A pdb=" N LYS D 810 " --> pdb=" O PHE D 806 " (cutoff:3.500A) Processing helix chain 'D' and resid 826 through 867 removed outlier: 3.900A pdb=" N ASN D 830 " --> pdb=" O GLU D 826 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N LYS D 831 " --> pdb=" O GLU D 827 " (cutoff:3.500A) removed outlier: 4.142A pdb=" N ARG D 832 " --> pdb=" O GLU D 828 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N ILE D 840 " --> pdb=" O PHE D 836 " (cutoff:3.500A) Proline residue: D 841 - end of helix removed outlier: 3.574A pdb=" N GLN D 846 " --> pdb=" O LYS D 842 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N HIS D 852 " --> pdb=" O ARG D 848 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N GLY D 856 " --> pdb=" O HIS D 852 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N GLN D 860 " --> pdb=" O GLY D 856 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL D 863 " --> pdb=" O GLN D 859 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU D 864 " --> pdb=" O GLN D 860 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU D 865 " --> pdb=" O PHE D 861 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N THR D 866 " --> pdb=" O LEU D 862 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N THR D 867 " --> pdb=" O VAL D 863 " (cutoff:3.500A) Processing helix chain 'D' and resid 870 through 882 removed outlier: 5.585A pdb=" N ARG D 874 " --> pdb=" O ASP D 870 " (cutoff:3.500A) removed outlier: 4.316A pdb=" N PHE D 875 " --> pdb=" O GLU D 871 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N LEU D 876 " --> pdb=" O SER D 872 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N PHE D 878 " --> pdb=" O ARG D 874 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N ARG D 879 " --> pdb=" O PHE D 875 " (cutoff:3.500A) Processing helix chain 'D' and resid 432 through 437 Processing helix chain 'F' and resid 246 through 260 removed outlier: 3.655A pdb=" N LEU F 250 " --> pdb=" O THR F 246 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N LEU F 255 " --> pdb=" O VAL F 251 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N TYR F 256 " --> pdb=" O ARG F 252 " (cutoff:3.500A) removed outlier: 5.124A pdb=" N GLN F 259 " --> pdb=" O LEU F 255 " (cutoff:3.500A) Processing helix chain 'F' and resid 285 through 315 removed outlier: 4.188A pdb=" N THR F 290 " --> pdb=" O SER F 286 " (cutoff:3.500A) removed outlier: 4.544A pdb=" N GLU F 296 " --> pdb=" O VAL F 292 " (cutoff:3.500A) removed outlier: 6.501A pdb=" N LEU F 297 " --> pdb=" O ARG F 293 " (cutoff:3.500A) removed outlier: 5.845A pdb=" N GLY F 298 " --> pdb=" O LEU F 294 " (cutoff:3.500A) removed outlier: 4.508A pdb=" N TRP F 299 " --> pdb=" O SER F 295 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N TYR F 307 " --> pdb=" O LYS F 303 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N THR F 308 " --> pdb=" O ILE F 304 " (cutoff:3.500A) removed outlier: 4.449A pdb=" N SER F 312 " --> pdb=" O THR F 308 " (cutoff:3.500A) removed outlier: 3.892A pdb=" N LEU F 313 " --> pdb=" O ASP F 309 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N ASP F 314 " --> pdb=" O GLN F 310 " (cutoff:3.500A) removed outlier: 5.931A pdb=" N ARG F 315 " --> pdb=" O ARG F 311 " (cutoff:3.500A) Processing helix chain 'F' and resid 318 through 347 removed outlier: 4.204A pdb=" N GLN F 322 " --> pdb=" O GLY F 318 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N SER F 323 " --> pdb=" O LEU F 319 " (cutoff:3.500A) removed outlier: 4.520A pdb=" N HIS F 329 " --> pdb=" O CYS F 325 " (cutoff:3.500A) removed outlier: 4.731A pdb=" N GLN F 330 " --> pdb=" O ALA F 326 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N GLU F 331 " --> pdb=" O ALA F 327 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N LEU F 332 " --> pdb=" O LEU F 328 " (cutoff:3.500A) removed outlier: 4.123A pdb=" N GLU F 334 " --> pdb=" O GLN F 330 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N TYR F 335 " --> pdb=" O GLU F 331 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N LEU F 339 " --> pdb=" O TYR F 335 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N GLN F 345 " --> pdb=" O VAL F 341 " (cutoff:3.500A) removed outlier: 3.696A pdb=" N LEU F 346 " --> pdb=" O LEU F 342 " (cutoff:3.500A) removed outlier: 4.391A pdb=" N GLN F 347 " --> pdb=" O HIS F 343 " (cutoff:3.500A) Processing helix chain 'F' and resid 363 through 389 removed outlier: 4.382A pdb=" N VAL F 369 " --> pdb=" O ARG F 365 " (cutoff:3.500A) removed outlier: 4.990A pdb=" N ASP F 373 " --> pdb=" O VAL F 369 " (cutoff:3.500A) Proline residue: F 374 - end of helix removed outlier: 3.527A pdb=" N ARG F 377 " --> pdb=" O ASP F 373 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N LEU F 378 " --> pdb=" O PRO F 374 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N LYS F 379 " --> pdb=" O LYS F 375 " (cutoff:3.500A) removed outlier: 3.982A pdb=" N ALA F 382 " --> pdb=" O LEU F 378 " (cutoff:3.500A) removed outlier: 4.583A pdb=" N ASP F 386 " --> pdb=" O ALA F 382 " (cutoff:3.500A) removed outlier: 3.944A pdb=" N HIS F 387 " --> pdb=" O ALA F 383 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N CYS F 388 " --> pdb=" O LEU F 384 " (cutoff:3.500A) removed outlier: 4.419A pdb=" N GLN F 389 " --> pdb=" O VAL F 385 " (cutoff:3.500A) Processing helix chain 'F' and resid 393 through 405 removed outlier: 3.706A pdb=" N ALA F 397 " --> pdb=" O GLY F 393 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ALA F 399 " --> pdb=" O GLU F 395 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N VAL F 400 " --> pdb=" O LEU F 396 " (cutoff:3.500A) removed outlier: 4.259A pdb=" N HIS F 401 " --> pdb=" O ALA F 397 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA F 402 " --> pdb=" O SER F 398 " (cutoff:3.500A) removed outlier: 3.971A pdb=" N LYS F 405 " --> pdb=" O HIS F 401 " (cutoff:3.500A) Processing helix chain 'F' and resid 410 through 431 removed outlier: 3.638A pdb=" N LEU F 414 " --> pdb=" O TYR F 410 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N GLN F 416 " --> pdb=" O ARG F 412 " (cutoff:3.500A) removed outlier: 4.255A pdb=" N HIS F 417 " --> pdb=" O SER F 413 " (cutoff:3.500A) removed outlier: 4.187A pdb=" N SER F 420 " --> pdb=" O GLN F 416 " (cutoff:3.500A) removed outlier: 4.420A pdb=" N HIS F 424 " --> pdb=" O SER F 420 " (cutoff:3.500A) Proline residue: F 425 - end of helix removed outlier: 3.708A pdb=" N TYR F 431 " --> pdb=" O LEU F 427 " (cutoff:3.500A) Processing helix chain 'F' and resid 476 through 496 removed outlier: 3.895A pdb=" N ARG F 481 " --> pdb=" O MET F 477 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N LYS F 482 " --> pdb=" O ASP F 478 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N VAL F 483 " --> pdb=" O GLN F 479 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N LEU F 484 " --> pdb=" O SER F 480 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N LEU F 485 " --> pdb=" O ARG F 481 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N VAL F 496 " --> pdb=" O PHE F 492 " (cutoff:3.500A) Processing helix chain 'F' and resid 527 through 552 removed outlier: 4.442A pdb=" N GLN F 531 " --> pdb=" O GLU F 527 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N GLU F 540 " --> pdb=" O ALA F 536 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N THR F 541 " --> pdb=" O ALA F 537 " (cutoff:3.500A) removed outlier: 4.731A pdb=" N LYS F 543 " --> pdb=" O PHE F 539 " (cutoff:3.500A) removed outlier: 3.702A pdb=" N ASP F 547 " --> pdb=" O LYS F 543 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N LYS F 552 " --> pdb=" O VAL F 548 " (cutoff:3.500A) Processing helix chain 'F' and resid 554 through 566 removed outlier: 3.517A pdb=" N MET F 559 " --> pdb=" O LEU F 555 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N TYR F 565 " --> pdb=" O ALA F 561 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU F 566 " --> pdb=" O MET F 562 " (cutoff:3.500A) Processing helix chain 'F' and resid 570 through 584 removed outlier: 5.993A pdb=" N ILE F 574 " --> pdb=" O GLN F 570 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N HIS F 576 " --> pdb=" O ASP F 572 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N LYS F 582 " --> pdb=" O MET F 578 " (cutoff:3.500A) Proline residue: F 583 - end of helix Processing helix chain 'F' and resid 588 through 593 removed outlier: 4.065A pdb=" N LEU F 592 " --> pdb=" O PRO F 588 " (cutoff:3.500A) removed outlier: 5.453A pdb=" N TYR F 593 " --> pdb=" O ALA F 589 " (cutoff:3.500A) No H-bonds generated for 'chain 'F' and resid 588 through 593' Processing helix chain 'F' and resid 594 through 608 removed outlier: 3.607A pdb=" N THR F 598 " --> pdb=" O GLN F 594 " (cutoff:3.500A) removed outlier: 4.761A pdb=" N GLY F 599 " --> pdb=" O HIS F 595 " (cutoff:3.500A) removed outlier: 3.943A pdb=" N ILE F 600 " --> pdb=" O ASN F 596 " (cutoff:3.500A) Processing helix chain 'F' and resid 614 through 622 removed outlier: 3.832A pdb=" N ARG F 620 " --> pdb=" O GLU F 616 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N LEU F 621 " --> pdb=" O ILE F 617 " (cutoff:3.500A) removed outlier: 5.978A pdb=" N ASP F 622 " --> pdb=" O LEU F 618 " (cutoff:3.500A) Processing helix chain 'F' and resid 633 through 638 removed outlier: 3.714A pdb=" N VAL F 637 " --> pdb=" O THR F 633 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N PHE F 638 " --> pdb=" O GLY F 634 " (cutoff:3.500A) No H-bonds generated for 'chain 'F' and resid 633 through 638' Processing helix chain 'F' and resid 646 through 653 removed outlier: 4.267A pdb=" N THR F 650 " --> pdb=" O GLY F 646 " (cutoff:3.500A) removed outlier: 4.646A pdb=" N VAL F 651 " --> pdb=" O PRO F 647 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N PHE F 652 " --> pdb=" O ILE F 648 " (cutoff:3.500A) Processing helix chain 'F' and resid 654 through 691 removed outlier: 3.644A pdb=" N SER F 658 " --> pdb=" O ARG F 654 " (cutoff:3.500A) removed outlier: 3.861A pdb=" N LEU F 661 " --> pdb=" O MET F 657 " (cutoff:3.500A) removed outlier: 4.152A pdb=" N ARG F 662 " --> pdb=" O SER F 658 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N ASN F 665 " --> pdb=" O LEU F 661 " (cutoff:3.500A) removed outlier: 4.553A pdb=" N PHE F 666 " --> pdb=" O ARG F 662 " (cutoff:3.500A) removed outlier: 4.260A pdb=" N GLU F 674 " --> pdb=" O ALA F 670 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N LEU F 677 " --> pdb=" O MET F 673 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ARG F 681 " --> pdb=" O LEU F 677 " (cutoff:3.500A) removed outlier: 3.591A pdb=" N ALA F 688 " --> pdb=" O HIS F 684 " (cutoff:3.500A) removed outlier: 5.117A pdb=" N LYS F 689 " --> pdb=" O MET F 685 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N LEU F 690 " --> pdb=" O CYS F 686 " (cutoff:3.500A) Processing helix chain 'F' and resid 694 through 725 removed outlier: 3.813A pdb=" N SER F 698 " --> pdb=" O MET F 694 " (cutoff:3.500A) removed outlier: 4.578A pdb=" N GLY F 699 " --> pdb=" O PRO F 695 " (cutoff:3.500A) removed outlier: 5.228A pdb=" N VAL F 700 " --> pdb=" O GLU F 696 " (cutoff:3.500A) removed outlier: 4.318A pdb=" N GLN F 703 " --> pdb=" O GLY F 699 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N CYS F 704 " --> pdb=" O VAL F 700 " (cutoff:3.500A) removed outlier: 3.663A pdb=" N ALA F 708 " --> pdb=" O CYS F 704 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N HIS F 713 " --> pdb=" O SER F 709 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N PHE F 714 " --> pdb=" O GLU F 710 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N TYR F 720 " --> pdb=" O HIS F 716 " (cutoff:3.500A) removed outlier: 3.630A pdb=" N THR F 723 " --> pdb=" O GLN F 719 " (cutoff:3.500A) Processing helix chain 'F' and resid 728 through 741 removed outlier: 3.787A pdb=" N ASP F 732 " --> pdb=" O GLU F 728 " (cutoff:3.500A) removed outlier: 3.505A pdb=" N GLU F 733 " --> pdb=" O CYS F 729 " (cutoff:3.500A) removed outlier: 3.906A pdb=" N LEU F 734 " --> pdb=" O SER F 730 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N LYS F 737 " --> pdb=" O GLU F 733 " (cutoff:3.500A) removed outlier: 3.700A pdb=" N GLN F 739 " --> pdb=" O TRP F 735 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N GLN F 740 " --> pdb=" O ASN F 736 " (cutoff:3.500A) removed outlier: 4.228A pdb=" N ALA F 741 " --> pdb=" O LYS F 737 " (cutoff:3.500A) Processing helix chain 'F' and resid 743 through 763 removed outlier: 6.148A pdb=" N ILE F 747 " --> pdb=" O ASP F 743 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N ILE F 748 " --> pdb=" O LEU F 744 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N ALA F 749 " --> pdb=" O ASP F 745 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N VAL F 753 " --> pdb=" O ALA F 749 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE F 754 " --> pdb=" O ALA F 750 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N LEU F 755 " --> pdb=" O HIS F 751 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N ILE F 758 " --> pdb=" O PHE F 754 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N ILE F 759 " --> pdb=" O LEU F 755 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N SER F 760 " --> pdb=" O ASP F 756 " (cutoff:3.500A) removed outlier: 4.467A pdb=" N LEU F 763 " --> pdb=" O ILE F 759 " (cutoff:3.500A) Processing helix chain 'F' and resid 768 through 811 removed outlier: 3.610A pdb=" N GLN F 774 " --> pdb=" O ALA F 770 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N ALA F 777 " --> pdb=" O ASN F 773 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N VAL F 778 " --> pdb=" O GLN F 774 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N ILE F 782 " --> pdb=" O VAL F 778 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N ILE F 783 " --> pdb=" O PHE F 779 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP F 790 " --> pdb=" O GLN F 786 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ALA F 791 " --> pdb=" O ASN F 787 " (cutoff:3.500A) removed outlier: 4.279A pdb=" N ILE F 792 " --> pdb=" O ALA F 788 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N ALA F 796 " --> pdb=" O ILE F 792 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N GLU F 799 " --> pdb=" O ALA F 795 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N GLU F 807 " --> pdb=" O ARG F 803 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N LYS F 809 " --> pdb=" O GLN F 805 " (cutoff:3.500A) removed outlier: 5.201A pdb=" N LYS F 810 " --> pdb=" O PHE F 806 " (cutoff:3.500A) Processing helix chain 'F' and resid 826 through 867 removed outlier: 3.900A pdb=" N ASN F 830 " --> pdb=" O GLU F 826 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N LYS F 831 " --> pdb=" O GLU F 827 " (cutoff:3.500A) removed outlier: 4.143A pdb=" N ARG F 832 " --> pdb=" O GLU F 828 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N ILE F 840 " --> pdb=" O PHE F 836 " (cutoff:3.500A) Proline residue: F 841 - end of helix removed outlier: 3.573A pdb=" N GLN F 846 " --> pdb=" O LYS F 842 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N HIS F 852 " --> pdb=" O ARG F 848 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N GLY F 856 " --> pdb=" O HIS F 852 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N GLN F 860 " --> pdb=" O GLY F 856 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N VAL F 863 " --> pdb=" O GLN F 859 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU F 864 " --> pdb=" O GLN F 860 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU F 865 " --> pdb=" O PHE F 861 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N THR F 866 " --> pdb=" O LEU F 862 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N THR F 867 " --> pdb=" O VAL F 863 " (cutoff:3.500A) Processing helix chain 'F' and resid 870 through 882 removed outlier: 5.585A pdb=" N ARG F 874 " --> pdb=" O ASP F 870 " (cutoff:3.500A) removed outlier: 4.314A pdb=" N PHE F 875 " --> pdb=" O GLU F 871 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N LEU F 876 " --> pdb=" O SER F 872 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N PHE F 878 " --> pdb=" O ARG F 874 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N ARG F 879 " --> pdb=" O PHE F 875 " (cutoff:3.500A) Processing helix chain 'F' and resid 432 through 437 Processing helix chain 'H' and resid 246 through 260 removed outlier: 3.825A pdb=" N LEU H 250 " --> pdb=" O THR H 246 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N TYR H 256 " --> pdb=" O ARG H 252 " (cutoff:3.500A) removed outlier: 5.124A pdb=" N GLN H 259 " --> pdb=" O LEU H 255 " (cutoff:3.500A) Processing helix chain 'H' and resid 285 through 315 removed outlier: 4.930A pdb=" N THR H 290 " --> pdb=" O SER H 286 " (cutoff:3.500A) removed outlier: 4.646A pdb=" N LEU H 297 " --> pdb=" O ARG H 293 " (cutoff:3.500A) removed outlier: 4.710A pdb=" N GLY H 298 " --> pdb=" O LEU H 294 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N TRP H 299 " --> pdb=" O SER H 295 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N LYS H 303 " --> pdb=" O TRP H 299 " (cutoff:3.500A) removed outlier: 3.647A pdb=" N ILE H 304 " --> pdb=" O LEU H 300 " (cutoff:3.500A) removed outlier: 4.068A pdb=" N ASP H 314 " --> pdb=" O GLN H 310 " (cutoff:3.500A) removed outlier: 5.314A pdb=" N ARG H 315 " --> pdb=" O ARG H 311 " (cutoff:3.500A) Processing helix chain 'H' and resid 318 through 347 removed outlier: 3.933A pdb=" N HIS H 329 " --> pdb=" O CYS H 325 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N GLN H 330 " --> pdb=" O ALA H 326 " (cutoff:3.500A) removed outlier: 3.803A pdb=" N GLU H 331 " --> pdb=" O ALA H 327 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N LEU H 332 " --> pdb=" O LEU H 328 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N GLU H 334 " --> pdb=" O GLN H 330 " (cutoff:3.500A) removed outlier: 4.668A pdb=" N TYR H 335 " --> pdb=" O GLU H 331 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N LEU H 339 " --> pdb=" O TYR H 335 " (cutoff:3.500A) removed outlier: 3.940A pdb=" N SER H 340 " --> pdb=" O TYR H 336 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N GLN H 345 " --> pdb=" O VAL H 341 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N LEU H 346 " --> pdb=" O LEU H 342 " (cutoff:3.500A) removed outlier: 4.427A pdb=" N GLN H 347 " --> pdb=" O HIS H 343 " (cutoff:3.500A) Processing helix chain 'H' and resid 363 through 389 removed outlier: 3.614A pdb=" N VAL H 369 " --> pdb=" O ARG H 365 " (cutoff:3.500A) removed outlier: 5.946A pdb=" N ASP H 373 " --> pdb=" O VAL H 369 " (cutoff:3.500A) Proline residue: H 374 - end of helix removed outlier: 3.526A pdb=" N ARG H 377 " --> pdb=" O ASP H 373 " (cutoff:3.500A) removed outlier: 3.733A pdb=" N LEU H 378 " --> pdb=" O PRO H 374 " (cutoff:3.500A) removed outlier: 3.810A pdb=" N LYS H 379 " --> pdb=" O LYS H 375 " (cutoff:3.500A) removed outlier: 4.225A pdb=" N ALA H 382 " --> pdb=" O LEU H 378 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N ALA H 383 " --> pdb=" O LYS H 379 " (cutoff:3.500A) removed outlier: 4.769A pdb=" N ASP H 386 " --> pdb=" O ALA H 382 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N HIS H 387 " --> pdb=" O ALA H 383 " (cutoff:3.500A) removed outlier: 3.794A pdb=" N CYS H 388 " --> pdb=" O LEU H 384 " (cutoff:3.500A) removed outlier: 4.419A pdb=" N GLN H 389 " --> pdb=" O VAL H 385 " (cutoff:3.500A) Processing helix chain 'H' and resid 393 through 405 removed outlier: 3.847A pdb=" N ALA H 397 " --> pdb=" O GLY H 393 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA H 399 " --> pdb=" O GLU H 395 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N HIS H 401 " --> pdb=" O ALA H 397 " (cutoff:3.500A) removed outlier: 3.932A pdb=" N ALA H 402 " --> pdb=" O SER H 398 " (cutoff:3.500A) removed outlier: 4.772A pdb=" N TYR H 403 " --> pdb=" O ALA H 399 " (cutoff:3.500A) removed outlier: 4.936A pdb=" N THR H 404 " --> pdb=" O VAL H 400 " (cutoff:3.500A) removed outlier: 4.535A pdb=" N LYS H 405 " --> pdb=" O HIS H 401 " (cutoff:3.500A) Processing helix chain 'H' and resid 410 through 431 removed outlier: 3.638A pdb=" N LEU H 414 " --> pdb=" O TYR H 410 " (cutoff:3.500A) removed outlier: 3.622A pdb=" N GLN H 416 " --> pdb=" O ARG H 412 " (cutoff:3.500A) removed outlier: 4.555A pdb=" N HIS H 417 " --> pdb=" O SER H 413 " (cutoff:3.500A) removed outlier: 4.188A pdb=" N SER H 420 " --> pdb=" O GLN H 416 " (cutoff:3.500A) removed outlier: 4.418A pdb=" N HIS H 424 " --> pdb=" O SER H 420 " (cutoff:3.500A) Proline residue: H 425 - end of helix removed outlier: 3.707A pdb=" N TYR H 431 " --> pdb=" O LEU H 427 " (cutoff:3.500A) Processing helix chain 'H' and resid 476 through 496 removed outlier: 3.895A pdb=" N ARG H 481 " --> pdb=" O MET H 477 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N LYS H 482 " --> pdb=" O ASP H 478 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N VAL H 483 " --> pdb=" O GLN H 479 " (cutoff:3.500A) removed outlier: 3.764A pdb=" N LEU H 484 " --> pdb=" O SER H 480 " (cutoff:3.500A) removed outlier: 3.693A pdb=" N LEU H 485 " --> pdb=" O ARG H 481 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N VAL H 496 " --> pdb=" O PHE H 492 " (cutoff:3.500A) Processing helix chain 'H' and resid 527 through 552 removed outlier: 4.443A pdb=" N GLN H 531 " --> pdb=" O GLU H 527 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N GLU H 540 " --> pdb=" O ALA H 536 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N THR H 541 " --> pdb=" O ALA H 537 " (cutoff:3.500A) removed outlier: 4.732A pdb=" N LYS H 543 " --> pdb=" O PHE H 539 " (cutoff:3.500A) removed outlier: 3.701A pdb=" N ASP H 547 " --> pdb=" O LYS H 543 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N LYS H 552 " --> pdb=" O VAL H 548 " (cutoff:3.500A) Processing helix chain 'H' and resid 554 through 566 removed outlier: 3.517A pdb=" N MET H 559 " --> pdb=" O LEU H 555 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N TYR H 565 " --> pdb=" O ALA H 561 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N LEU H 566 " --> pdb=" O MET H 562 " (cutoff:3.500A) Processing helix chain 'H' and resid 570 through 584 removed outlier: 5.993A pdb=" N ILE H 574 " --> pdb=" O GLN H 570 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N HIS H 576 " --> pdb=" O ASP H 572 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N LYS H 582 " --> pdb=" O MET H 578 " (cutoff:3.500A) Proline residue: H 583 - end of helix Processing helix chain 'H' and resid 588 through 593 removed outlier: 4.065A pdb=" N LEU H 592 " --> pdb=" O PRO H 588 " (cutoff:3.500A) removed outlier: 5.454A pdb=" N TYR H 593 " --> pdb=" O ALA H 589 " (cutoff:3.500A) No H-bonds generated for 'chain 'H' and resid 588 through 593' Processing helix chain 'H' and resid 594 through 608 removed outlier: 3.606A pdb=" N THR H 598 " --> pdb=" O GLN H 594 " (cutoff:3.500A) removed outlier: 4.785A pdb=" N GLY H 599 " --> pdb=" O HIS H 595 " (cutoff:3.500A) removed outlier: 4.051A pdb=" N ILE H 600 " --> pdb=" O ASN H 596 " (cutoff:3.500A) Processing helix chain 'H' and resid 614 through 622 removed outlier: 3.833A pdb=" N ARG H 620 " --> pdb=" O GLU H 616 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N LEU H 621 " --> pdb=" O ILE H 617 " (cutoff:3.500A) removed outlier: 5.978A pdb=" N ASP H 622 " --> pdb=" O LEU H 618 " (cutoff:3.500A) Processing helix chain 'H' and resid 633 through 638 removed outlier: 3.714A pdb=" N VAL H 637 " --> pdb=" O THR H 633 " (cutoff:3.500A) removed outlier: 3.860A pdb=" N PHE H 638 " --> pdb=" O GLY H 634 " (cutoff:3.500A) No H-bonds generated for 'chain 'H' and resid 633 through 638' Processing helix chain 'H' and resid 646 through 653 removed outlier: 4.269A pdb=" N THR H 650 " --> pdb=" O GLY H 646 " (cutoff:3.500A) removed outlier: 4.647A pdb=" N VAL H 651 " --> pdb=" O PRO H 647 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N PHE H 652 " --> pdb=" O ILE H 648 " (cutoff:3.500A) Processing helix chain 'H' and resid 654 through 691 removed outlier: 3.645A pdb=" N SER H 658 " --> pdb=" O ARG H 654 " (cutoff:3.500A) removed outlier: 3.861A pdb=" N LEU H 661 " --> pdb=" O MET H 657 " (cutoff:3.500A) removed outlier: 4.152A pdb=" N ARG H 662 " --> pdb=" O SER H 658 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N ASN H 665 " --> pdb=" O LEU H 661 " (cutoff:3.500A) removed outlier: 4.553A pdb=" N PHE H 666 " --> pdb=" O ARG H 662 " (cutoff:3.500A) removed outlier: 4.260A pdb=" N GLU H 674 " --> pdb=" O ALA H 670 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N LEU H 677 " --> pdb=" O MET H 673 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ARG H 681 " --> pdb=" O LEU H 677 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N ALA H 688 " --> pdb=" O HIS H 684 " (cutoff:3.500A) removed outlier: 5.116A pdb=" N LYS H 689 " --> pdb=" O MET H 685 " (cutoff:3.500A) removed outlier: 3.793A pdb=" N LEU H 690 " --> pdb=" O CYS H 686 " (cutoff:3.500A) Processing helix chain 'H' and resid 694 through 725 removed outlier: 3.813A pdb=" N SER H 698 " --> pdb=" O MET H 694 " (cutoff:3.500A) removed outlier: 4.578A pdb=" N GLY H 699 " --> pdb=" O PRO H 695 " (cutoff:3.500A) removed outlier: 5.228A pdb=" N VAL H 700 " --> pdb=" O GLU H 696 " (cutoff:3.500A) removed outlier: 4.319A pdb=" N GLN H 703 " --> pdb=" O GLY H 699 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N CYS H 704 " --> pdb=" O VAL H 700 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N ALA H 708 " --> pdb=" O CYS H 704 " (cutoff:3.500A) removed outlier: 3.608A pdb=" N HIS H 713 " --> pdb=" O SER H 709 " (cutoff:3.500A) removed outlier: 4.056A pdb=" N PHE H 714 " --> pdb=" O GLU H 710 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N TYR H 720 " --> pdb=" O HIS H 716 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N THR H 723 " --> pdb=" O GLN H 719 " (cutoff:3.500A) Processing helix chain 'H' and resid 728 through 741 removed outlier: 3.788A pdb=" N ASP H 732 " --> pdb=" O GLU H 728 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N GLU H 733 " --> pdb=" O CYS H 729 " (cutoff:3.500A) removed outlier: 3.906A pdb=" N LEU H 734 " --> pdb=" O SER H 730 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N LYS H 737 " --> pdb=" O GLU H 733 " (cutoff:3.500A) removed outlier: 3.699A pdb=" N GLN H 739 " --> pdb=" O TRP H 735 " (cutoff:3.500A) removed outlier: 4.111A pdb=" N GLN H 740 " --> pdb=" O ASN H 736 " (cutoff:3.500A) removed outlier: 4.227A pdb=" N ALA H 741 " --> pdb=" O LYS H 737 " (cutoff:3.500A) Processing helix chain 'H' and resid 743 through 763 removed outlier: 6.148A pdb=" N ILE H 747 " --> pdb=" O ASP H 743 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N ILE H 748 " --> pdb=" O LEU H 744 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N ALA H 749 " --> pdb=" O ASP H 745 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N VAL H 753 " --> pdb=" O ALA H 749 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE H 754 " --> pdb=" O ALA H 750 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N LEU H 755 " --> pdb=" O HIS H 751 " (cutoff:3.500A) removed outlier: 3.914A pdb=" N ILE H 758 " --> pdb=" O PHE H 754 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N ILE H 759 " --> pdb=" O LEU H 755 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N SER H 760 " --> pdb=" O ASP H 756 " (cutoff:3.500A) removed outlier: 4.467A pdb=" N LEU H 763 " --> pdb=" O ILE H 759 " (cutoff:3.500A) Processing helix chain 'H' and resid 768 through 811 removed outlier: 3.609A pdb=" N GLN H 774 " --> pdb=" O ALA H 770 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N ALA H 777 " --> pdb=" O ASN H 773 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N VAL H 778 " --> pdb=" O GLN H 774 " (cutoff:3.500A) removed outlier: 3.554A pdb=" N ILE H 782 " --> pdb=" O VAL H 778 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N ILE H 783 " --> pdb=" O PHE H 779 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N ASP H 790 " --> pdb=" O GLN H 786 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ALA H 791 " --> pdb=" O ASN H 787 " (cutoff:3.500A) removed outlier: 4.279A pdb=" N ILE H 792 " --> pdb=" O ALA H 788 " (cutoff:3.500A) removed outlier: 3.717A pdb=" N ALA H 796 " --> pdb=" O ILE H 792 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N GLU H 799 " --> pdb=" O ALA H 795 " (cutoff:3.500A) removed outlier: 3.981A pdb=" N GLU H 807 " --> pdb=" O ARG H 803 " (cutoff:3.500A) removed outlier: 3.776A pdb=" N LYS H 809 " --> pdb=" O GLN H 805 " (cutoff:3.500A) removed outlier: 5.202A pdb=" N LYS H 810 " --> pdb=" O PHE H 806 " (cutoff:3.500A) Processing helix chain 'H' and resid 826 through 867 removed outlier: 3.900A pdb=" N ASN H 830 " --> pdb=" O GLU H 826 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N LYS H 831 " --> pdb=" O GLU H 827 " (cutoff:3.500A) removed outlier: 4.143A pdb=" N ARG H 832 " --> pdb=" O GLU H 828 " (cutoff:3.500A) removed outlier: 3.741A pdb=" N ILE H 840 " --> pdb=" O PHE H 836 " (cutoff:3.500A) Proline residue: H 841 - end of helix removed outlier: 3.574A pdb=" N GLN H 846 " --> pdb=" O LYS H 842 " (cutoff:3.500A) removed outlier: 3.618A pdb=" N HIS H 852 " --> pdb=" O ARG H 848 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N GLY H 856 " --> pdb=" O HIS H 852 " (cutoff:3.500A) removed outlier: 3.856A pdb=" N GLN H 860 " --> pdb=" O GLY H 856 " (cutoff:3.500A) removed outlier: 3.921A pdb=" N VAL H 863 " --> pdb=" O GLN H 859 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N LEU H 864 " --> pdb=" O GLN H 860 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU H 865 " --> pdb=" O PHE H 861 " (cutoff:3.500A) removed outlier: 3.790A pdb=" N THR H 866 " --> pdb=" O LEU H 862 " (cutoff:3.500A) removed outlier: 5.316A pdb=" N THR H 867 " --> pdb=" O VAL H 863 " (cutoff:3.500A) Processing helix chain 'H' and resid 870 through 882 removed outlier: 5.584A pdb=" N ARG H 874 " --> pdb=" O ASP H 870 " (cutoff:3.500A) removed outlier: 4.316A pdb=" N PHE H 875 " --> pdb=" O GLU H 871 " (cutoff:3.500A) removed outlier: 4.047A pdb=" N LEU H 876 " --> pdb=" O SER H 872 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N PHE H 878 " --> pdb=" O ARG H 874 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N ARG H 879 " --> pdb=" O PHE H 875 " (cutoff:3.500A) Processing helix chain 'H' and resid 432 through 437 Processing helix chain 'T' and resid 246 through 260 removed outlier: 3.813A pdb=" N LEU T 250 " --> pdb=" O THR T 246 " (cutoff:3.500A) removed outlier: 4.022A pdb=" N TYR T 256 " --> pdb=" O ARG T 252 " (cutoff:3.500A) removed outlier: 5.287A pdb=" N GLN T 259 " --> pdb=" O LEU T 255 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLY T 260 " --> pdb=" O TYR T 256 " (cutoff:3.500A) Processing helix chain 'T' and resid 285 through 315 removed outlier: 4.250A pdb=" N THR T 290 " --> pdb=" O SER T 286 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N GLU T 296 " --> pdb=" O VAL T 292 " (cutoff:3.500A) removed outlier: 4.721A pdb=" N LEU T 297 " --> pdb=" O ARG T 293 " (cutoff:3.500A) removed outlier: 4.649A pdb=" N GLY T 298 " --> pdb=" O LEU T 294 " (cutoff:3.500A) removed outlier: 3.536A pdb=" N TRP T 299 " --> pdb=" O SER T 295 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N LEU T 300 " --> pdb=" O GLU T 296 " (cutoff:3.500A) removed outlier: 3.609A pdb=" N LYS T 303 " --> pdb=" O TRP T 299 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N ILE T 304 " --> pdb=" O LEU T 300 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N TYR T 307 " --> pdb=" O LYS T 303 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N THR T 308 " --> pdb=" O ILE T 304 " (cutoff:3.500A) removed outlier: 4.438A pdb=" N SER T 312 " --> pdb=" O THR T 308 " (cutoff:3.500A) removed outlier: 3.889A pdb=" N LEU T 313 " --> pdb=" O ASP T 309 " (cutoff:3.500A) removed outlier: 4.119A pdb=" N ASP T 314 " --> pdb=" O GLN T 310 " (cutoff:3.500A) removed outlier: 6.018A pdb=" N ARG T 315 " --> pdb=" O ARG T 311 " (cutoff:3.500A) Processing helix chain 'T' and resid 318 through 347 removed outlier: 4.105A pdb=" N GLN T 322 " --> pdb=" O GLY T 318 " (cutoff:3.500A) removed outlier: 3.664A pdb=" N SER T 323 " --> pdb=" O LEU T 319 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N HIS T 329 " --> pdb=" O CYS T 325 " (cutoff:3.500A) removed outlier: 4.693A pdb=" N GLN T 330 " --> pdb=" O ALA T 326 " (cutoff:3.500A) removed outlier: 3.981A pdb=" N GLU T 331 " --> pdb=" O ALA T 327 " (cutoff:3.500A) removed outlier: 3.958A pdb=" N LEU T 332 " --> pdb=" O LEU T 328 " (cutoff:3.500A) removed outlier: 4.062A pdb=" N GLU T 334 " --> pdb=" O GLN T 330 " (cutoff:3.500A) removed outlier: 4.693A pdb=" N TYR T 335 " --> pdb=" O GLU T 331 " (cutoff:3.500A) removed outlier: 3.595A pdb=" N LEU T 339 " --> pdb=" O TYR T 335 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N GLN T 345 " --> pdb=" O VAL T 341 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N LEU T 346 " --> pdb=" O LEU T 342 " (cutoff:3.500A) removed outlier: 4.385A pdb=" N GLN T 347 " --> pdb=" O HIS T 343 " (cutoff:3.500A) Processing helix chain 'T' and resid 363 through 389 removed outlier: 4.784A pdb=" N VAL T 369 " --> pdb=" O ARG T 365 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N TRP T 370 " --> pdb=" O ARG T 366 " (cutoff:3.500A) removed outlier: 5.001A pdb=" N ASP T 373 " --> pdb=" O VAL T 369 " (cutoff:3.500A) Proline residue: T 374 - end of helix removed outlier: 3.527A pdb=" N ARG T 377 " --> pdb=" O ASP T 373 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N LEU T 378 " --> pdb=" O PRO T 374 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N LYS T 379 " --> pdb=" O LYS T 375 " (cutoff:3.500A) removed outlier: 4.191A pdb=" N ALA T 382 " --> pdb=" O LEU T 378 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N ALA T 383 " --> pdb=" O LYS T 379 " (cutoff:3.500A) removed outlier: 4.833A pdb=" N ASP T 386 " --> pdb=" O ALA T 382 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N HIS T 387 " --> pdb=" O ALA T 383 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N CYS T 388 " --> pdb=" O LEU T 384 " (cutoff:3.500A) removed outlier: 4.155A pdb=" N GLN T 389 " --> pdb=" O VAL T 385 " (cutoff:3.500A) Processing helix chain 'T' and resid 393 through 405 removed outlier: 3.731A pdb=" N ALA T 397 " --> pdb=" O GLY T 393 " (cutoff:3.500A) removed outlier: 4.080A pdb=" N HIS T 401 " --> pdb=" O ALA T 397 " (cutoff:3.500A) removed outlier: 3.945A pdb=" N ALA T 402 " --> pdb=" O SER T 398 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N TYR T 403 " --> pdb=" O ALA T 399 " (cutoff:3.500A) removed outlier: 4.303A pdb=" N THR T 404 " --> pdb=" O VAL T 400 " (cutoff:3.500A) removed outlier: 4.712A pdb=" N LYS T 405 " --> pdb=" O HIS T 401 " (cutoff:3.500A) Processing helix chain 'T' and resid 410 through 431 removed outlier: 4.262A pdb=" N LEU T 414 " --> pdb=" O TYR T 410 " (cutoff:3.500A) removed outlier: 3.956A pdb=" N GLN T 416 " --> pdb=" O ARG T 412 " (cutoff:3.500A) removed outlier: 4.555A pdb=" N HIS T 417 " --> pdb=" O SER T 413 " (cutoff:3.500A) removed outlier: 4.167A pdb=" N SER T 420 " --> pdb=" O GLN T 416 " (cutoff:3.500A) removed outlier: 4.410A pdb=" N HIS T 424 " --> pdb=" O SER T 420 " (cutoff:3.500A) Proline residue: T 425 - end of helix removed outlier: 3.674A pdb=" N TYR T 431 " --> pdb=" O LEU T 427 " (cutoff:3.500A) Processing helix chain 'T' and resid 476 through 496 removed outlier: 3.952A pdb=" N ARG T 481 " --> pdb=" O MET T 477 " (cutoff:3.500A) removed outlier: 3.593A pdb=" N LYS T 482 " --> pdb=" O ASP T 478 " (cutoff:3.500A) removed outlier: 3.559A pdb=" N VAL T 483 " --> pdb=" O GLN T 479 " (cutoff:3.500A) removed outlier: 3.850A pdb=" N LEU T 484 " --> pdb=" O SER T 480 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N LEU T 485 " --> pdb=" O ARG T 481 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N VAL T 496 " --> pdb=" O PHE T 492 " (cutoff:3.500A) Processing helix chain 'T' and resid 527 through 552 removed outlier: 4.375A pdb=" N GLN T 531 " --> pdb=" O GLU T 527 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N GLU T 540 " --> pdb=" O ALA T 536 " (cutoff:3.500A) removed outlier: 4.718A pdb=" N LYS T 543 " --> pdb=" O PHE T 539 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N ASP T 547 " --> pdb=" O LYS T 543 " (cutoff:3.500A) Processing helix chain 'T' and resid 554 through 566 removed outlier: 3.538A pdb=" N MET T 559 " --> pdb=" O LEU T 555 " (cutoff:3.500A) removed outlier: 3.547A pdb=" N ALA T 561 " --> pdb=" O ASP T 557 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N TYR T 565 " --> pdb=" O ALA T 561 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N LEU T 566 " --> pdb=" O MET T 562 " (cutoff:3.500A) Processing helix chain 'T' and resid 570 through 584 removed outlier: 5.995A pdb=" N ILE T 574 " --> pdb=" O GLN T 570 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N HIS T 576 " --> pdb=" O ASP T 572 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N LYS T 582 " --> pdb=" O MET T 578 " (cutoff:3.500A) Proline residue: T 583 - end of helix Processing helix chain 'T' and resid 588 through 593 removed outlier: 4.084A pdb=" N LEU T 592 " --> pdb=" O PRO T 588 " (cutoff:3.500A) removed outlier: 5.420A pdb=" N TYR T 593 " --> pdb=" O ALA T 589 " (cutoff:3.500A) No H-bonds generated for 'chain 'T' and resid 588 through 593' Processing helix chain 'T' and resid 594 through 608 removed outlier: 3.619A pdb=" N THR T 598 " --> pdb=" O GLN T 594 " (cutoff:3.500A) removed outlier: 4.744A pdb=" N GLY T 599 " --> pdb=" O HIS T 595 " (cutoff:3.500A) removed outlier: 4.013A pdb=" N ILE T 600 " --> pdb=" O ASN T 596 " (cutoff:3.500A) Processing helix chain 'T' and resid 614 through 622 removed outlier: 3.850A pdb=" N ARG T 620 " --> pdb=" O GLU T 616 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N LEU T 621 " --> pdb=" O ILE T 617 " (cutoff:3.500A) removed outlier: 5.917A pdb=" N ASP T 622 " --> pdb=" O LEU T 618 " (cutoff:3.500A) Processing helix chain 'T' and resid 633 through 638 removed outlier: 3.694A pdb=" N VAL T 637 " --> pdb=" O THR T 633 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N PHE T 638 " --> pdb=" O GLY T 634 " (cutoff:3.500A) No H-bonds generated for 'chain 'T' and resid 633 through 638' Processing helix chain 'T' and resid 646 through 653 removed outlier: 4.333A pdb=" N THR T 650 " --> pdb=" O GLY T 646 " (cutoff:3.500A) removed outlier: 4.850A pdb=" N VAL T 651 " --> pdb=" O PRO T 647 " (cutoff:3.500A) removed outlier: 4.011A pdb=" N PHE T 652 " --> pdb=" O ILE T 648 " (cutoff:3.500A) Processing helix chain 'T' and resid 654 through 691 removed outlier: 3.704A pdb=" N SER T 658 " --> pdb=" O ARG T 654 " (cutoff:3.500A) removed outlier: 4.027A pdb=" N LEU T 661 " --> pdb=" O MET T 657 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N ARG T 662 " --> pdb=" O SER T 658 " (cutoff:3.500A) removed outlier: 4.489A pdb=" N PHE T 666 " --> pdb=" O ARG T 662 " (cutoff:3.500A) removed outlier: 4.294A pdb=" N GLU T 674 " --> pdb=" O ALA T 670 " (cutoff:3.500A) removed outlier: 3.995A pdb=" N LEU T 677 " --> pdb=" O MET T 673 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N MET T 685 " --> pdb=" O ARG T 681 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N LYS T 689 " --> pdb=" O MET T 685 " (cutoff:3.500A) removed outlier: 4.093A pdb=" N LEU T 690 " --> pdb=" O CYS T 686 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N LEU T 691 " --> pdb=" O ASN T 687 " (cutoff:3.500A) Processing helix chain 'T' and resid 694 through 725 removed outlier: 3.785A pdb=" N SER T 698 " --> pdb=" O MET T 694 " (cutoff:3.500A) removed outlier: 4.769A pdb=" N GLY T 699 " --> pdb=" O PRO T 695 " (cutoff:3.500A) removed outlier: 5.231A pdb=" N VAL T 700 " --> pdb=" O GLU T 696 " (cutoff:3.500A) removed outlier: 4.381A pdb=" N GLN T 703 " --> pdb=" O GLY T 699 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N CYS T 704 " --> pdb=" O VAL T 700 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N ALA T 708 " --> pdb=" O CYS T 704 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N HIS T 713 " --> pdb=" O SER T 709 " (cutoff:3.500A) removed outlier: 4.053A pdb=" N PHE T 714 " --> pdb=" O GLU T 710 " (cutoff:3.500A) removed outlier: 4.099A pdb=" N TYR T 720 " --> pdb=" O HIS T 716 " (cutoff:3.500A) Processing helix chain 'T' and resid 728 through 741 removed outlier: 3.772A pdb=" N ASP T 732 " --> pdb=" O GLU T 728 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N GLU T 733 " --> pdb=" O CYS T 729 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N LEU T 734 " --> pdb=" O SER T 730 " (cutoff:3.500A) removed outlier: 3.885A pdb=" N LYS T 737 " --> pdb=" O GLU T 733 " (cutoff:3.500A) removed outlier: 3.723A pdb=" N GLN T 739 " --> pdb=" O TRP T 735 " (cutoff:3.500A) removed outlier: 4.139A pdb=" N GLN T 740 " --> pdb=" O ASN T 736 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N ALA T 741 " --> pdb=" O LYS T 737 " (cutoff:3.500A) Processing helix chain 'T' and resid 743 through 763 removed outlier: 6.164A pdb=" N ILE T 747 " --> pdb=" O ASP T 743 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N ILE T 748 " --> pdb=" O LEU T 744 " (cutoff:3.500A) removed outlier: 3.789A pdb=" N ALA T 749 " --> pdb=" O ASP T 745 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N VAL T 753 " --> pdb=" O ALA T 749 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N PHE T 754 " --> pdb=" O ALA T 750 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N LEU T 755 " --> pdb=" O HIS T 751 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N ILE T 758 " --> pdb=" O PHE T 754 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ILE T 759 " --> pdb=" O LEU T 755 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N SER T 760 " --> pdb=" O ASP T 756 " (cutoff:3.500A) removed outlier: 4.605A pdb=" N LEU T 763 " --> pdb=" O ILE T 759 " (cutoff:3.500A) Processing helix chain 'T' and resid 768 through 811 removed outlier: 3.538A pdb=" N GLN T 774 " --> pdb=" O ALA T 770 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N ALA T 777 " --> pdb=" O ASN T 773 " (cutoff:3.500A) removed outlier: 3.891A pdb=" N VAL T 778 " --> pdb=" O GLN T 774 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N ILE T 782 " --> pdb=" O VAL T 778 " (cutoff:3.500A) removed outlier: 3.920A pdb=" N ILE T 783 " --> pdb=" O PHE T 779 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N ASP T 790 " --> pdb=" O GLN T 786 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N ALA T 791 " --> pdb=" O ASN T 787 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N ILE T 792 " --> pdb=" O ALA T 788 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N ALA T 796 " --> pdb=" O ILE T 792 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N GLU T 799 " --> pdb=" O ALA T 795 " (cutoff:3.500A) removed outlier: 4.025A pdb=" N GLU T 807 " --> pdb=" O ARG T 803 " (cutoff:3.500A) removed outlier: 3.777A pdb=" N LYS T 809 " --> pdb=" O GLN T 805 " (cutoff:3.500A) removed outlier: 5.186A pdb=" N LYS T 810 " --> pdb=" O PHE T 806 " (cutoff:3.500A) Processing helix chain 'T' and resid 826 through 867 removed outlier: 3.895A pdb=" N ASN T 830 " --> pdb=" O GLU T 826 " (cutoff:3.500A) removed outlier: 3.915A pdb=" N LYS T 831 " --> pdb=" O GLU T 827 " (cutoff:3.500A) removed outlier: 4.119A pdb=" N ARG T 832 " --> pdb=" O GLU T 828 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ILE T 840 " --> pdb=" O PHE T 836 " (cutoff:3.500A) Proline residue: T 841 - end of helix removed outlier: 3.600A pdb=" N GLN T 846 " --> pdb=" O LYS T 842 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N HIS T 852 " --> pdb=" O ARG T 848 " (cutoff:3.500A) removed outlier: 3.774A pdb=" N GLY T 856 " --> pdb=" O HIS T 852 " (cutoff:3.500A) removed outlier: 3.828A pdb=" N GLN T 860 " --> pdb=" O GLY T 856 " (cutoff:3.500A) removed outlier: 3.953A pdb=" N VAL T 863 " --> pdb=" O GLN T 859 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N LEU T 864 " --> pdb=" O GLN T 860 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N LEU T 865 " --> pdb=" O PHE T 861 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N THR T 866 " --> pdb=" O LEU T 862 " (cutoff:3.500A) removed outlier: 5.282A pdb=" N THR T 867 " --> pdb=" O VAL T 863 " (cutoff:3.500A) Processing helix chain 'T' and resid 870 through 882 removed outlier: 5.387A pdb=" N ARG T 874 " --> pdb=" O ASP T 870 " (cutoff:3.500A) removed outlier: 4.308A pdb=" N PHE T 875 " --> pdb=" O GLU T 871 " (cutoff:3.500A) removed outlier: 4.115A pdb=" N LEU T 876 " --> pdb=" O SER T 872 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N PHE T 878 " --> pdb=" O ARG T 874 " (cutoff:3.500A) removed outlier: 3.709A pdb=" N ARG T 879 " --> pdb=" O PHE T 875 " (cutoff:3.500A) Processing helix chain 'T' and resid 432 through 437 Processing helix chain 'I' and resid 1 through 11 removed outlier: 3.797A pdb=" N SER I 10 " --> pdb=" O LEU I 6 " (cutoff:3.500A) Processing helix chain 'I' and resid 37 through 62 removed outlier: 4.475A pdb=" N VAL I 41 " --> pdb=" O SER I 37 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N ASN I 43 " --> pdb=" O THR I 39 " (cutoff:3.500A) removed outlier: 4.479A pdb=" N LEU I 48 " --> pdb=" O ARG I 44 " (cutoff:3.500A) removed outlier: 3.667A pdb=" N GLY I 49 " --> pdb=" O LEU I 45 " (cutoff:3.500A) removed outlier: 4.300A pdb=" N ASP I 51 " --> pdb=" O ARG I 47 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N PHE I 58 " --> pdb=" O ARG I 54 " (cutoff:3.500A) Processing helix chain 'I' and resid 83 through 115 removed outlier: 4.140A pdb=" N SER I 95 " --> pdb=" O THR I 91 " (cutoff:3.500A) Proline residue: I 99 - end of helix removed outlier: 3.912A pdb=" N LEU I 107 " --> pdb=" O ALA I 103 " (cutoff:3.500A) removed outlier: 4.010A pdb=" N GLU I 108 " --> pdb=" O LEU I 104 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N GLN I 109 " --> pdb=" O LEU I 105 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N ASP I 114 " --> pdb=" O GLU I 110 " (cutoff:3.500A) Proline residue: I 115 - end of helix Processing helix chain 'I' and resid 118 through 127 removed outlier: 3.648A pdb=" N LEU I 126 " --> pdb=" O VAL I 122 " (cutoff:3.500A) removed outlier: 3.909A pdb=" N ASP I 127 " --> pdb=" O ASN I 123 " (cutoff:3.500A) Processing helix chain 'I' and resid 128 through 147 Proline residue: I 134 - end of helix removed outlier: 4.168A pdb=" N VAL I 138 " --> pdb=" O PRO I 134 " (cutoff:3.500A) removed outlier: 4.538A pdb=" N VAL I 139 " --> pdb=" O SER I 135 " (cutoff:3.500A) removed outlier: 4.587A pdb=" N VAL I 140 " --> pdb=" O VAL I 136 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N ILE I 143 " --> pdb=" O VAL I 139 " (cutoff:3.500A) Processing helix chain 'I' and resid 151 through 163 removed outlier: 4.226A pdb=" N GLU I 155 " --> pdb=" O CYS I 151 " (cutoff:3.500A) removed outlier: 4.150A pdb=" N TYR I 158 " --> pdb=" O LEU I 154 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N HIS I 160 " --> pdb=" O THR I 156 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N CYS I 162 " --> pdb=" O TYR I 158 " (cutoff:3.500A) removed outlier: 5.396A pdb=" N GLY I 163 " --> pdb=" O LYS I 159 " (cutoff:3.500A) Processing helix chain 'I' and resid 165 through 191 removed outlier: 4.010A pdb=" N GLU I 173 " --> pdb=" O ARG I 169 " (cutoff:3.500A) removed outlier: 4.283A pdb=" N LYS I 174 " --> pdb=" O SER I 170 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N GLY I 181 " --> pdb=" O ALA I 177 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N VAL I 182 " --> pdb=" O VAL I 178 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N MET I 183 " --> pdb=" O CYS I 179 " (cutoff:3.500A) Processing helix chain 'I' and resid 269 through 287 removed outlier: 3.520A pdb=" N GLU I 281 " --> pdb=" O LEU I 277 " (cutoff:3.500A) removed outlier: 4.142A pdb=" N VAL I 283 " --> pdb=" O VAL I 279 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N PHE I 286 " --> pdb=" O SER I 282 " (cutoff:3.500A) Processing helix chain 'I' and resid 301 through 318 removed outlier: 4.502A pdb=" N ASP I 305 " --> pdb=" O LYS I 301 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N THR I 306 " --> pdb=" O ASN I 302 " (cutoff:3.500A) removed outlier: 5.145A pdb=" N PHE I 307 " --> pdb=" O GLN I 303 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N ALA I 308 " --> pdb=" O GLU I 304 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N GLN I 317 " --> pdb=" O ARG I 313 " (cutoff:3.500A) Proline residue: I 318 - end of helix Processing helix chain 'I' and resid 321 through 345 removed outlier: 4.421A pdb=" N GLN I 327 " --> pdb=" O VAL I 323 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N VAL I 328 " --> pdb=" O ASP I 324 " (cutoff:3.500A) removed outlier: 4.122A pdb=" N ARG I 331 " --> pdb=" O GLN I 327 " (cutoff:3.500A) removed outlier: 3.639A pdb=" N LEU I 343 " --> pdb=" O HIS I 339 " (cutoff:3.500A) Processing helix chain 'I' and resid 349 through 361 removed outlier: 3.804A pdb=" N GLN I 353 " --> pdb=" O ASP I 349 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N ASP I 359 " --> pdb=" O LYS I 355 " (cutoff:3.500A) Processing helix chain 'I' and resid 365 through 377 removed outlier: 3.893A pdb=" N PHE I 369 " --> pdb=" O ARG I 365 " (cutoff:3.500A) removed outlier: 4.052A pdb=" N ALA I 371 " --> pdb=" O AGLU I 367 " (cutoff:3.500A) removed outlier: 3.792A pdb=" N GLN I 377 " --> pdb=" O ILE I 373 " (cutoff:3.500A) Processing helix chain 'I' and resid 387 through 404 removed outlier: 3.507A pdb=" N VAL I 392 " --> pdb=" O THR I 388 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N ASN I 393 " --> pdb=" O GLU I 389 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N VAL I 394 " --> pdb=" O HIS I 390 " (cutoff:3.500A) removed outlier: 4.203A pdb=" N ALA I 395 " --> pdb=" O ASP I 391 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N HIS I 401 " --> pdb=" O GLN I 397 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N LEU I 404 " --> pdb=" O ALA I 400 " (cutoff:3.500A) Processing helix chain 'I' and resid 407 through 412 removed outlier: 4.038A pdb=" N LEU I 411 " --> pdb=" O ASP I 407 " (cutoff:3.500A) Proline residue: I 412 - end of helix No H-bonds generated for 'chain 'I' and resid 407 through 412' Processing helix chain 'I' and resid 447 through 452 removed outlier: 4.260A pdb=" N ALA I 451 " --> pdb=" O SER I 447 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N LEU I 452 " --> pdb=" O GLY I 448 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 447 through 452' Processing helix chain 'I' and resid 462 through 467 removed outlier: 4.447A pdb=" N THR I 467 " --> pdb=" O HIS I 463 " (cutoff:3.500A) Processing helix chain 'I' and resid 468 through 502 removed outlier: 3.819A pdb=" N ASN I 475 " --> pdb=" O LEU I 471 " (cutoff:3.500A) removed outlier: 3.555A pdb=" N CYS I 494 " --> pdb=" O GLU I 490 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N GLN I 500 " --> pdb=" O ALA I 496 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N LYS I 502 " --> pdb=" O GLN I 498 " (cutoff:3.500A) Processing helix chain 'I' and resid 508 through 551 removed outlier: 3.829A pdb=" N ILE I 512 " --> pdb=" O GLN I 508 " (cutoff:3.500A) removed outlier: 5.141A pdb=" N LYS I 513 " --> pdb=" O THR I 509 " (cutoff:3.500A) removed outlier: 4.569A pdb=" N TRP I 514 " --> pdb=" O ASP I 510 " (cutoff:3.500A) removed outlier: 4.671A pdb=" N ARG I 515 " --> pdb=" O ALA I 511 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N MET I 520 " --> pdb=" O LEU I 516 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N ASP I 525 " --> pdb=" O ALA I 521 " (cutoff:3.500A) removed outlier: 4.112A pdb=" N LEU I 531 " --> pdb=" O LEU I 527 " (cutoff:3.500A) removed outlier: 4.757A pdb=" N GLN I 532 " --> pdb=" O GLN I 528 " (cutoff:3.500A) removed outlier: 4.323A pdb=" N VAL I 533 " --> pdb=" O TYR I 529 " (cutoff:3.500A) removed outlier: 6.368A pdb=" N ASP I 534 " --> pdb=" O TYR I 530 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N GLU I 537 " --> pdb=" O VAL I 533 " (cutoff:3.500A) removed outlier: 4.605A pdb=" N SER I 538 " --> pdb=" O ASP I 534 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N SER I 541 " --> pdb=" O GLU I 537 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N HIS I 545 " --> pdb=" O SER I 541 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N ASN I 548 " --> pdb=" O LEU I 544 " (cutoff:3.500A) removed outlier: 3.950A pdb=" N THR I 550 " --> pdb=" O GLN I 546 " (cutoff:3.500A) removed outlier: 5.474A pdb=" N ARG I 551 " --> pdb=" O ILE I 547 " (cutoff:3.500A) Processing helix chain 'I' and resid 552 through 570 removed outlier: 4.612A pdb=" N ILE I 556 " --> pdb=" O ASP I 552 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N ASP I 561 " --> pdb=" O ARG I 557 " (cutoff:3.500A) Processing helix chain 'I' and resid 575 through 600 removed outlier: 3.661A pdb=" N ASN I 583 " --> pdb=" O PHE I 579 " (cutoff:3.500A) removed outlier: 4.423A pdb=" N GLU I 584 " --> pdb=" O HIS I 580 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N HIS I 590 " --> pdb=" O LEU I 586 " (cutoff:3.500A) removed outlier: 4.241A pdb=" N ASN I 599 " --> pdb=" O LEU I 595 " (cutoff:3.500A) removed outlier: 5.142A pdb=" N LEU I 600 " --> pdb=" O VAL I 596 " (cutoff:3.500A) Processing helix chain 'I' and resid 606 through 630 removed outlier: 4.227A pdb=" N ILE I 613 " --> pdb=" O ALA I 609 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N LEU I 614 " --> pdb=" O GLN I 610 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N VAL I 615 " --> pdb=" O LEU I 611 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N LYS I 616 " --> pdb=" O SER I 612 " (cutoff:3.500A) removed outlier: 3.500A pdb=" N GLY I 617 " --> pdb=" O ILE I 613 " (cutoff:3.500A) removed outlier: 3.971A pdb=" N ARG I 620 " --> pdb=" O LYS I 616 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N ILE I 628 " --> pdb=" O LEU I 624 " (cutoff:3.500A) Processing helix chain 'I' and resid 639 through 649 removed outlier: 4.180A pdb=" N GLN I 643 " --> pdb=" O SER I 639 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N LEU I 645 " --> pdb=" O LEU I 641 " (cutoff:3.500A) removed outlier: 4.382A pdb=" N LEU I 646 " --> pdb=" O ALA I 642 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N ARG I 647 " --> pdb=" O GLN I 643 " (cutoff:3.500A) Processing helix chain 'I' and resid 651 through 656 removed outlier: 3.602A pdb=" N THR I 655 " --> pdb=" O ASN I 651 " (cutoff:3.500A) Processing helix chain 'K' and resid 1 through 11 Processing helix chain 'K' and resid 37 through 62 removed outlier: 5.981A pdb=" N VAL K 41 " --> pdb=" O SER K 37 " (cutoff:3.500A) removed outlier: 3.855A pdb=" N LEU K 42 " --> pdb=" O GLU K 38 " (cutoff:3.500A) removed outlier: 3.746A pdb=" N LEU K 48 " --> pdb=" O ARG K 44 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N GLY K 49 " --> pdb=" O LEU K 45 " (cutoff:3.500A) removed outlier: 3.563A pdb=" N ASP K 51 " --> pdb=" O ARG K 47 " (cutoff:3.500A) removed outlier: 3.593A pdb=" N TYR K 52 " --> pdb=" O LEU K 48 " (cutoff:3.500A) removed outlier: 3.626A pdb=" N GLN K 61 " --> pdb=" O GLU K 57 " (cutoff:3.500A) Processing helix chain 'K' and resid 83 through 115 removed outlier: 3.525A pdb=" N SER K 95 " --> pdb=" O THR K 91 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N VAL K 96 " --> pdb=" O GLY K 92 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N LEU K 97 " --> pdb=" O LEU K 93 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N GLN K 98 " --> pdb=" O ASP K 94 " (cutoff:3.500A) Proline residue: K 99 - end of helix removed outlier: 3.841A pdb=" N LEU K 107 " --> pdb=" O ALA K 103 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N GLU K 108 " --> pdb=" O LEU K 104 " (cutoff:3.500A) removed outlier: 4.062A pdb=" N GLN K 109 " --> pdb=" O LEU K 105 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N GLU K 110 " --> pdb=" O ASP K 106 " (cutoff:3.500A) Proline residue: K 115 - end of helix Processing helix chain 'K' and resid 118 through 127 removed outlier: 4.704A pdb=" N VAL K 122 " --> pdb=" O SER K 118 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N ASN K 123 " --> pdb=" O ILE K 119 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N ASP K 127 " --> pdb=" O ASN K 123 " (cutoff:3.500A) Processing helix chain 'K' and resid 128 through 147 removed outlier: 3.719A pdb=" N LEU K 132 " --> pdb=" O GLN K 128 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N PHE K 133 " --> pdb=" O PHE K 129 " (cutoff:3.500A) Proline residue: K 134 - end of helix removed outlier: 3.710A pdb=" N VAL K 138 " --> pdb=" O PRO K 134 " (cutoff:3.500A) removed outlier: 3.996A pdb=" N VAL K 139 " --> pdb=" O SER K 135 " (cutoff:3.500A) removed outlier: 3.605A pdb=" N VAL K 140 " --> pdb=" O VAL K 136 " (cutoff:3.500A) removed outlier: 3.683A pdb=" N ILE K 143 " --> pdb=" O VAL K 139 " (cutoff:3.500A) Processing helix chain 'K' and resid 151 through 163 removed outlier: 4.192A pdb=" N GLU K 155 " --> pdb=" O CYS K 151 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N TYR K 158 " --> pdb=" O LEU K 154 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N HIS K 160 " --> pdb=" O THR K 156 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N CYS K 162 " --> pdb=" O TYR K 158 " (cutoff:3.500A) removed outlier: 5.241A pdb=" N GLY K 163 " --> pdb=" O LYS K 159 " (cutoff:3.500A) Processing helix chain 'K' and resid 165 through 191 removed outlier: 3.734A pdb=" N LYS K 174 " --> pdb=" O SER K 170 " (cutoff:3.500A) removed outlier: 4.427A pdb=" N GLY K 181 " --> pdb=" O ALA K 177 " (cutoff:3.500A) removed outlier: 4.021A pdb=" N VAL K 182 " --> pdb=" O VAL K 178 " (cutoff:3.500A) removed outlier: 4.008A pdb=" N MET K 183 " --> pdb=" O CYS K 179 " (cutoff:3.500A) removed outlier: 3.798A pdb=" N LYS K 185 " --> pdb=" O GLY K 181 " (cutoff:3.500A) Processing helix chain 'K' and resid 269 through 287 removed outlier: 3.515A pdb=" N VAL K 283 " --> pdb=" O VAL K 279 " (cutoff:3.500A) Processing helix chain 'K' and resid 301 through 318 removed outlier: 5.466A pdb=" N ASP K 305 " --> pdb=" O LYS K 301 " (cutoff:3.500A) removed outlier: 4.050A pdb=" N THR K 306 " --> pdb=" O ASN K 302 " (cutoff:3.500A) removed outlier: 4.533A pdb=" N PHE K 307 " --> pdb=" O GLN K 303 " (cutoff:3.500A) removed outlier: 3.884A pdb=" N LYS K 315 " --> pdb=" O LEU K 311 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N GLN K 316 " --> pdb=" O HIS K 312 " (cutoff:3.500A) removed outlier: 3.702A pdb=" N GLN K 317 " --> pdb=" O ARG K 313 " (cutoff:3.500A) Proline residue: K 318 - end of helix Processing helix chain 'K' and resid 321 through 345 removed outlier: 3.774A pdb=" N GLN K 327 " --> pdb=" O VAL K 323 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N VAL K 328 " --> pdb=" O ASP K 324 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N VAL K 329 " --> pdb=" O PHE K 325 " (cutoff:3.500A) removed outlier: 4.391A pdb=" N ARG K 331 " --> pdb=" O GLN K 327 " (cutoff:3.500A) Processing helix chain 'K' and resid 349 through 361 Processing helix chain 'K' and resid 365 through 377 removed outlier: 3.894A pdb=" N PHE K 369 " --> pdb=" O ARG K 365 " (cutoff:3.500A) removed outlier: 3.686A pdb=" N ALA K 371 " --> pdb=" O AGLU K 367 " (cutoff:3.500A) Processing helix chain 'K' and resid 387 through 404 removed outlier: 3.558A pdb=" N VAL K 392 " --> pdb=" O THR K 388 " (cutoff:3.500A) removed outlier: 3.875A pdb=" N ASN K 393 " --> pdb=" O GLU K 389 " (cutoff:3.500A) removed outlier: 3.596A pdb=" N VAL K 394 " --> pdb=" O HIS K 390 " (cutoff:3.500A) removed outlier: 4.285A pdb=" N ALA K 395 " --> pdb=" O ASP K 391 " (cutoff:3.500A) removed outlier: 3.754A pdb=" N LEU K 404 " --> pdb=" O ALA K 400 " (cutoff:3.500A) Processing helix chain 'K' and resid 407 through 412 removed outlier: 4.038A pdb=" N LEU K 411 " --> pdb=" O ASP K 407 " (cutoff:3.500A) Proline residue: K 412 - end of helix No H-bonds generated for 'chain 'K' and resid 407 through 412' Processing helix chain 'K' and resid 447 through 452 removed outlier: 4.086A pdb=" N ALA K 451 " --> pdb=" O SER K 447 " (cutoff:3.500A) Processing helix chain 'K' and resid 462 through 467 removed outlier: 4.112A pdb=" N THR K 467 " --> pdb=" O HIS K 463 " (cutoff:3.500A) Processing helix chain 'K' and resid 468 through 502 removed outlier: 3.555A pdb=" N ALA K 489 " --> pdb=" O ARG K 485 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N LYS K 502 " --> pdb=" O GLN K 498 " (cutoff:3.500A) Processing helix chain 'K' and resid 508 through 551 removed outlier: 4.314A pdb=" N ILE K 512 " --> pdb=" O GLN K 508 " (cutoff:3.500A) removed outlier: 4.846A pdb=" N LYS K 513 " --> pdb=" O THR K 509 " (cutoff:3.500A) removed outlier: 4.308A pdb=" N TRP K 514 " --> pdb=" O ASP K 510 " (cutoff:3.500A) removed outlier: 4.555A pdb=" N ARG K 515 " --> pdb=" O ALA K 511 " (cutoff:3.500A) removed outlier: 4.040A pdb=" N MET K 520 " --> pdb=" O LEU K 516 " (cutoff:3.500A) removed outlier: 3.658A pdb=" N VAL K 524 " --> pdb=" O MET K 520 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N ASP K 525 " --> pdb=" O ALA K 521 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N GLN K 528 " --> pdb=" O VAL K 524 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N LEU K 531 " --> pdb=" O LEU K 527 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLN K 532 " --> pdb=" O GLN K 528 " (cutoff:3.500A) removed outlier: 4.879A pdb=" N VAL K 533 " --> pdb=" O TYR K 529 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N ASP K 534 " --> pdb=" O TYR K 530 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N SER K 538 " --> pdb=" O ASP K 534 " (cutoff:3.500A) removed outlier: 3.924A pdb=" N SER K 541 " --> pdb=" O GLU K 537 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N ILE K 547 " --> pdb=" O LEU K 543 " (cutoff:3.500A) removed outlier: 4.006A pdb=" N ASN K 548 " --> pdb=" O LEU K 544 " (cutoff:3.500A) removed outlier: 3.572A pdb=" N THR K 550 " --> pdb=" O GLN K 546 " (cutoff:3.500A) removed outlier: 5.330A pdb=" N ARG K 551 " --> pdb=" O ILE K 547 " (cutoff:3.500A) Processing helix chain 'K' and resid 552 through 570 removed outlier: 4.262A pdb=" N ILE K 556 " --> pdb=" O ASP K 552 " (cutoff:3.500A) removed outlier: 3.606A pdb=" N ASP K 561 " --> pdb=" O ARG K 557 " (cutoff:3.500A) removed outlier: 3.751A pdb=" N LEU K 567 " --> pdb=" O PHE K 563 " (cutoff:3.500A) Processing helix chain 'K' and resid 575 through 600 removed outlier: 3.762A pdb=" N ASN K 583 " --> pdb=" O PHE K 579 " (cutoff:3.500A) removed outlier: 4.154A pdb=" N GLU K 584 " --> pdb=" O HIS K 580 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ILE K 585 " --> pdb=" O CYS K 581 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N ASP K 587 " --> pdb=" O ASN K 583 " (cutoff:3.500A) removed outlier: 3.964A pdb=" N ASN K 599 " --> pdb=" O LEU K 595 " (cutoff:3.500A) removed outlier: 5.486A pdb=" N LEU K 600 " --> pdb=" O VAL K 596 " (cutoff:3.500A) Processing helix chain 'K' and resid 606 through 630 removed outlier: 4.412A pdb=" N ILE K 613 " --> pdb=" O ALA K 609 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N LEU K 614 " --> pdb=" O GLN K 610 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N VAL K 615 " --> pdb=" O LEU K 611 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N LYS K 616 " --> pdb=" O SER K 612 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N GLY K 617 " --> pdb=" O ILE K 613 " (cutoff:3.500A) removed outlier: 4.437A pdb=" N ARG K 620 " --> pdb=" O LYS K 616 " (cutoff:3.500A) Processing helix chain 'K' and resid 639 through 649 removed outlier: 3.848A pdb=" N GLN K 643 " --> pdb=" O SER K 639 " (cutoff:3.500A) removed outlier: 4.398A pdb=" N LEU K 646 " --> pdb=" O ALA K 642 " (cutoff:3.500A) Processing helix chain 'K' and resid 651 through 656 removed outlier: 4.615A pdb=" N THR K 655 " --> pdb=" O ASN K 651 " (cutoff:3.500A) removed outlier: 4.031A pdb=" N GLN K 656 " --> pdb=" O LYS K 652 " (cutoff:3.500A) No H-bonds generated for 'chain 'K' and resid 651 through 656' Processing helix chain 'J' and resid 266 through 280 removed outlier: 4.381A pdb=" N VAL J 270 " --> pdb=" O THR J 266 " (cutoff:3.500A) removed outlier: 3.934A pdb=" N ILE J 271 " --> pdb=" O GLU J 267 " (cutoff:3.500A) Processing helix chain 'J' and resid 308 through 333 removed outlier: 3.687A pdb=" N VAL J 323 " --> pdb=" O ALA J 319 " (cutoff:3.500A) removed outlier: 3.645A pdb=" N LEU J 327 " --> pdb=" O VAL J 323 " (cutoff:3.500A) Processing helix chain 'J' and resid 358 through 388 removed outlier: 6.012A pdb=" N GLN J 362 " --> pdb=" O PHE J 358 " (cutoff:3.500A) removed outlier: 4.238A pdb=" N ALA J 363 " --> pdb=" O ARG J 359 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N TRP J 366 " --> pdb=" O GLN J 362 " (cutoff:3.500A) removed outlier: 3.972A pdb=" N ALA J 367 " --> pdb=" O ALA J 363 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N SER J 374 " --> pdb=" O LYS J 370 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N LYS J 384 " --> pdb=" O ALA J 380 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N CYS J 385 " --> pdb=" O GLU J 381 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N ILE J 387 " --> pdb=" O GLU J 383 " (cutoff:3.500A) Processing helix chain 'J' and resid 394 through 404 removed outlier: 3.876A pdb=" N ASP J 400 " --> pdb=" O ALA J 396 " (cutoff:3.500A) Proline residue: J 404 - end of helix Processing helix chain 'J' and resid 405 through 421 removed outlier: 3.663A pdb=" N LYS J 410 " --> pdb=" O LEU J 406 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL J 411 " --> pdb=" O SER J 407 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N LEU J 412 " --> pdb=" O GLN J 408 " (cutoff:3.500A) removed outlier: 3.612A pdb=" N LYS J 414 " --> pdb=" O LYS J 410 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N SER J 417 " --> pdb=" O HIS J 413 " (cutoff:3.500A) removed outlier: 3.820A pdb=" N THR J 418 " --> pdb=" O LYS J 414 " (cutoff:3.500A) removed outlier: 3.665A pdb=" N GLY J 419 " --> pdb=" O VAL J 415 " (cutoff:3.500A) Processing helix chain 'J' and resid 428 through 448 removed outlier: 3.771A pdb=" N ALA J 433 " --> pdb=" O ASN J 429 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N LEU J 436 " --> pdb=" O ARG J 432 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N LEU J 440 " --> pdb=" O LEU J 436 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N TYR J 441 " --> pdb=" O LEU J 437 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N LEU J 445 " --> pdb=" O TYR J 441 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N TYR J 447 " --> pdb=" O ALA J 443 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ASP J 448 " --> pdb=" O ILE J 444 " (cutoff:3.500A) Processing helix chain 'J' and resid 455 through 482 removed outlier: 5.469A pdb=" N SER J 459 " --> pdb=" O GLU J 455 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N GLU J 467 " --> pdb=" O SER J 463 " (cutoff:3.500A) removed outlier: 3.863A pdb=" N THR J 468 " --> pdb=" O LEU J 464 " (cutoff:3.500A) Proline residue: J 471 - end of helix Processing helix chain 'J' and resid 549 through 554 removed outlier: 4.006A pdb=" N LYS J 553 " --> pdb=" O VAL J 549 " (cutoff:3.500A) Proline residue: J 554 - end of helix No H-bonds generated for 'chain 'J' and resid 549 through 554' Processing helix chain 'J' and resid 555 through 572 removed outlier: 3.568A pdb=" N ILE J 559 " --> pdb=" O VAL J 555 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N ALA J 562 " --> pdb=" O GLN J 558 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N SER J 565 " --> pdb=" O MET J 561 " (cutoff:3.500A) removed outlier: 3.757A pdb=" N LEU J 569 " --> pdb=" O SER J 565 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N LYS J 570 " --> pdb=" O MET J 566 " (cutoff:3.500A) removed outlier: 3.931A pdb=" N ASN J 571 " --> pdb=" O GLN J 567 " (cutoff:3.500A) removed outlier: 4.315A pdb=" N LEU J 572 " --> pdb=" O LEU J 568 " (cutoff:3.500A) Processing helix chain 'J' and resid 637 through 648 Proline residue: J 644 - end of helix removed outlier: 3.826A pdb=" N ALA J 647 " --> pdb=" O ASP J 643 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N ILE J 648 " --> pdb=" O PRO J 644 " (cutoff:3.500A) Processing helix chain 'J' and resid 687 through 713 removed outlier: 4.060A pdb=" N LEU J 691 " --> pdb=" O LEU J 687 " (cutoff:3.500A) removed outlier: 4.064A pdb=" N TYR J 692 " --> pdb=" O ARG J 688 " (cutoff:3.500A) Proline residue: J 693 - end of helix removed outlier: 3.856A pdb=" N GLN J 698 " --> pdb=" O HIS J 694 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N TYR J 699 " --> pdb=" O ILE J 695 " (cutoff:3.500A) removed outlier: 4.566A pdb=" N LYS J 712 " --> pdb=" O GLN J 708 " (cutoff:3.500A) removed outlier: 4.493A pdb=" N ASP J 713 " --> pdb=" O THR J 709 " (cutoff:3.500A) Processing helix chain 'J' and resid 715 through 728 removed outlier: 3.950A pdb=" N PHE J 727 " --> pdb=" O MET J 723 " (cutoff:3.500A) removed outlier: 4.643A pdb=" N LEU J 728 " --> pdb=" O ARG J 724 " (cutoff:3.500A) Processing helix chain 'J' and resid 733 through 744 removed outlier: 4.999A pdb=" N ASP J 737 " --> pdb=" O ASP J 733 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N PHE J 738 " --> pdb=" O THR J 734 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N TYR J 739 " --> pdb=" O MET J 735 " (cutoff:3.500A) removed outlier: 3.732A pdb=" N ILE J 742 " --> pdb=" O PHE J 738 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N ASP J 744 " --> pdb=" O THR J 740 " (cutoff:3.500A) Processing helix chain 'J' and resid 754 through 764 removed outlier: 3.861A pdb=" N LEU J 758 " --> pdb=" O ASN J 754 " (cutoff:3.500A) removed outlier: 4.190A pdb=" N ASN J 759 " --> pdb=" O VAL J 755 " (cutoff:3.500A) removed outlier: 3.652A pdb=" N VAL J 760 " --> pdb=" O SER J 756 " (cutoff:3.500A) Processing helix chain 'J' and resid 806 through 814 removed outlier: 3.995A pdb=" N ILE J 811 " --> pdb=" O TRP J 807 " (cutoff:3.500A) removed outlier: 5.586A pdb=" N VAL J 812 " --> pdb=" O PRO J 808 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N SER J 814 " --> pdb=" O ASP J 810 " (cutoff:3.500A) Processing helix chain 'J' and resid 815 through 840 removed outlier: 3.913A pdb=" N LYS J 819 " --> pdb=" O LEU J 815 " (cutoff:3.500A) removed outlier: 4.120A pdb=" N ILE J 820 " --> pdb=" O GLU J 816 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N ASP J 839 " --> pdb=" O LYS J 835 " (cutoff:3.500A) Processing helix chain 'J' and resid 881 through 903 removed outlier: 3.861A pdb=" N LEU J 885 " --> pdb=" O HIS J 881 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N LEU J 886 " --> pdb=" O ARG J 882 " (cutoff:3.500A) removed outlier: 4.657A pdb=" N PHE J 893 " --> pdb=" O LYS J 889 " (cutoff:3.500A) removed outlier: 3.560A pdb=" N THR J 903 " --> pdb=" O ASN J 899 " (cutoff:3.500A) Processing helix chain 'J' and resid 905 through 920 removed outlier: 4.663A pdb=" N GLY J 910 " --> pdb=" O LEU J 906 " (cutoff:3.500A) removed outlier: 3.613A pdb=" N HIS J 915 " --> pdb=" O LEU J 911 " (cutoff:3.500A) removed outlier: 4.602A pdb=" N GLU J 919 " --> pdb=" O HIS J 915 " (cutoff:3.500A) removed outlier: 3.894A pdb=" N ALA J 920 " --> pdb=" O GLN J 916 " (cutoff:3.500A) Processing helix chain 'J' and resid 922 through 942 removed outlier: 3.774A pdb=" N LEU J 926 " --> pdb=" O ASP J 922 " (cutoff:3.500A) removed outlier: 3.937A pdb=" N ILE J 927 " --> pdb=" O LEU J 923 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N TYR J 933 " --> pdb=" O ILE J 929 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N THR J 936 " --> pdb=" O ARG J 932 " (cutoff:3.500A) removed outlier: 4.055A pdb=" N ASP J 939 " --> pdb=" O SER J 935 " (cutoff:3.500A) removed outlier: 4.841A pdb=" N LEU J 942 " --> pdb=" O HIS J 938 " (cutoff:3.500A) Processing helix chain 'J' and resid 949 through 968 removed outlier: 5.627A pdb=" N ALA J 953 " --> pdb=" O PHE J 949 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N ILE J 954 " --> pdb=" O VAL J 950 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N LEU J 960 " --> pdb=" O LYS J 956 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N ALA J 961 " --> pdb=" O VAL J 957 " (cutoff:3.500A) removed outlier: 3.721A pdb=" N ALA J 965 " --> pdb=" O ALA J 961 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N GLY J 967 " --> pdb=" O MET J 963 " (cutoff:3.500A) removed outlier: 5.221A pdb=" N TRP J 968 " --> pdb=" O PHE J 964 " (cutoff:3.500A) Processing helix chain 'J' and resid 979 through 1000 removed outlier: 3.930A pdb=" N GLU J 984 " --> pdb=" O ILE J 980 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N SER J 985 " --> pdb=" O GLU J 981 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N ASP J 986 " --> pdb=" O LYS J 982 " (cutoff:3.500A) removed outlier: 3.577A pdb=" N ASN J 989 " --> pdb=" O SER J 985 " (cutoff:3.500A) removed outlier: 5.647A pdb=" N LYS J1000 " --> pdb=" O THR J 996 " (cutoff:3.500A) Processing helix chain 'J' and resid 1010 through 1015 removed outlier: 4.130A pdb=" N LEU J1015 " --> pdb=" O GLU J1011 " (cutoff:3.500A) Processing helix chain 'L' and resid 352 through 362 removed outlier: 3.649A pdb=" N ASN L 358 " --> pdb=" O LYS L 354 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N VAL L 359 " --> pdb=" O ASP L 355 " (cutoff:3.500A) removed outlier: 4.199A pdb=" N LEU L 360 " --> pdb=" O VAL L 356 " (cutoff:3.500A) removed outlier: 4.498A pdb=" N ILE L 361 " --> pdb=" O LEU L 357 " (cutoff:3.500A) removed outlier: 4.319A pdb=" N GLY L 362 " --> pdb=" O ASN L 358 " (cutoff:3.500A) Processing helix chain 'L' and resid 395 through 415 removed outlier: 3.786A pdb=" N VAL L 400 " --> pdb=" O LEU L 396 " (cutoff:3.500A) removed outlier: 4.235A pdb=" N TYR L 403 " --> pdb=" O GLU L 399 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLY L 404 " --> pdb=" O VAL L 400 " (cutoff:3.500A) removed outlier: 3.859A pdb=" N CYS L 406 " --> pdb=" O GLU L 402 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N TYR L 407 " --> pdb=" O TYR L 403 " (cutoff:3.500A) removed outlier: 4.183A pdb=" N PHE L 413 " --> pdb=" O ARG L 409 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N LEU L 415 " --> pdb=" O SER L 411 " (cutoff:3.500A) Processing helix chain 'L' and resid 426 through 450 removed outlier: 3.729A pdb=" N ARG L 437 " --> pdb=" O THR L 433 " (cutoff:3.500A) removed outlier: 3.755A pdb=" N ARG L 438 " --> pdb=" O SER L 434 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N TYR L 439 " --> pdb=" O GLY L 435 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N GLN L 441 " --> pdb=" O ARG L 437 " (cutoff:3.500A) removed outlier: 4.633A pdb=" N TYR L 442 " --> pdb=" O ARG L 438 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N LEU L 448 " --> pdb=" O ARG L 444 " (cutoff:3.500A) removed outlier: 4.483A pdb=" N SER L 449 " --> pdb=" O ALA L 445 " (cutoff:3.500A) removed outlier: 4.064A pdb=" N THR L 450 " --> pdb=" O CYS L 446 " (cutoff:3.500A) Processing helix chain 'L' and resid 455 through 478 removed outlier: 3.700A pdb=" N GLY L 460 " --> pdb=" O LEU L 456 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N LYS L 464 " --> pdb=" O GLY L 460 " (cutoff:3.500A) removed outlier: 4.431A pdb=" N LYS L 465 " --> pdb=" O PHE L 461 " (cutoff:3.500A) removed outlier: 4.625A pdb=" N LEU L 466 " --> pdb=" O LEU L 462 " (cutoff:3.500A) removed outlier: 4.821A pdb=" N GLN L 469 " --> pdb=" O LYS L 465 " (cutoff:3.500A) removed outlier: 3.823A pdb=" N ALA L 474 " --> pdb=" O LEU L 470 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N GLU L 475 " --> pdb=" O ARG L 471 " (cutoff:3.500A) removed outlier: 4.502A pdb=" N GLY L 478 " --> pdb=" O ALA L 474 " (cutoff:3.500A) Processing helix chain 'L' and resid 498 through 513 removed outlier: 3.926A pdb=" N TYR L 506 " --> pdb=" O LEU L 502 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ALA L 509 " --> pdb=" O LEU L 505 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N LEU L 510 " --> pdb=" O TYR L 506 " (cutoff:3.500A) removed outlier: 3.681A pdb=" N ASN L 512 " --> pdb=" O GLU L 508 " (cutoff:3.500A) Processing helix chain 'L' and resid 517 through 541 removed outlier: 3.660A pdb=" N LEU L 521 " --> pdb=" O HIS L 517 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N THR L 527 " --> pdb=" O SER L 523 " (cutoff:3.500A) removed outlier: 4.468A pdb=" N GLU L 530 " --> pdb=" O LYS L 526 " (cutoff:3.500A) Proline residue: L 531 - end of helix removed outlier: 3.676A pdb=" N ARG L 534 " --> pdb=" O GLU L 530 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N TRP L 539 " --> pdb=" O PHE L 535 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N VAL L 540 " --> pdb=" O ILE L 536 " (cutoff:3.500A) removed outlier: 4.129A pdb=" N TYR L 541 " --> pdb=" O HIS L 537 " (cutoff:3.500A) Processing helix chain 'L' and resid 588 through 608 removed outlier: 3.598A pdb=" N ALA L 592 " --> pdb=" O LEU L 588 " (cutoff:3.500A) removed outlier: 3.957A pdb=" N HIS L 593 " --> pdb=" O LYS L 589 " (cutoff:3.500A) removed outlier: 5.155A pdb=" N ASP L 594 " --> pdb=" O HIS L 590 " (cutoff:3.500A) removed outlier: 3.635A pdb=" N TYR L 596 " --> pdb=" O ALA L 592 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N VAL L 597 " --> pdb=" O HIS L 593 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N LYS L 600 " --> pdb=" O TYR L 596 " (cutoff:3.500A) removed outlier: 4.367A pdb=" N ILE L 602 " --> pdb=" O CYS L 598 " (cutoff:3.500A) removed outlier: 4.157A pdb=" N LEU L 607 " --> pdb=" O ASN L 603 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N CYS L 608 " --> pdb=" O LEU L 604 " (cutoff:3.500A) Processing helix chain 'L' and resid 1478 through 1502 Proline residue: L1483 - end of helix removed outlier: 3.865A pdb=" N ALA L1486 " --> pdb=" O ALA L1482 " (cutoff:3.500A) removed outlier: 4.706A pdb=" N HIS L1487 " --> pdb=" O PRO L1483 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N SER L1489 " --> pdb=" O ALA L1485 " (cutoff:3.500A) removed outlier: 4.301A pdb=" N LEU L1490 " --> pdb=" O ALA L1486 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N GLU L1502 " --> pdb=" O TYR L1498 " (cutoff:3.500A) Processing helix chain 'L' and resid 1504 through 1516 removed outlier: 3.542A pdb=" N TYR L1509 " --> pdb=" O LEU L1505 " (cutoff:3.500A) removed outlier: 3.655A pdb=" N GLU L1510 " --> pdb=" O GLU L1506 " (cutoff:3.500A) removed outlier: 4.449A pdb=" N HIS L1514 " --> pdb=" O GLU L1510 " (cutoff:3.500A) Processing helix chain 'L' and resid 1520 through 1535 removed outlier: 4.017A pdb=" N ALA L1524 " --> pdb=" O ASP L1520 " (cutoff:3.500A) removed outlier: 6.039A pdb=" N GLN L1525 " --> pdb=" O GLY L1521 " (cutoff:3.500A) removed outlier: 4.256A pdb=" N SER L1526 " --> pdb=" O GLU L1522 " (cutoff:3.500A) removed outlier: 4.303A pdb=" N ASP L1529 " --> pdb=" O GLN L1525 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N GLU L1533 " --> pdb=" O ASP L1529 " (cutoff:3.500A) removed outlier: 3.999A pdb=" N LYS L1534 " --> pdb=" O LEU L1530 " (cutoff:3.500A) removed outlier: 4.043A pdb=" N LEU L1535 " --> pdb=" O LEU L1531 " (cutoff:3.500A) Processing helix chain 'L' and resid 1541 through 1546 removed outlier: 4.776A pdb=" N LEU L1545 " --> pdb=" O PRO L1541 " (cutoff:3.500A) removed outlier: 4.434A pdb=" N ASN L1546 " --> pdb=" O GLY L1542 " (cutoff:3.500A) No H-bonds generated for 'chain 'L' and resid 1541 through 1546' Processing helix chain 'L' and resid 1547 through 1562 removed outlier: 3.828A pdb=" N ASN L1551 " --> pdb=" O PRO L1547 " (cutoff:3.500A) removed outlier: 4.485A pdb=" N SER L1552 " --> pdb=" O LEU L1548 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N LEU L1554 " --> pdb=" O LEU L1550 " (cutoff:3.500A) removed outlier: 4.718A pdb=" N SER L1555 " --> pdb=" O ASN L1551 " (cutoff:3.500A) removed outlier: 4.332A pdb=" N GLN L1559 " --> pdb=" O SER L1555 " (cutoff:3.500A) removed outlier: 4.000A pdb=" N CYS L1560 " --> pdb=" O LYS L1556 " (cutoff:3.500A) removed outlier: 4.478A pdb=" N LEU L1562 " --> pdb=" O LEU L1558 " (cutoff:3.500A) Processing helix chain 'L' and resid 1566 through 1571 removed outlier: 5.459A pdb=" N ASN L1571 " --> pdb=" O PRO L1567 " (cutoff:3.500A) Processing helix chain 'L' and resid 1602 through 1609 removed outlier: 3.619A pdb=" N ILE L1606 " --> pdb=" O TRP L1602 " (cutoff:3.500A) removed outlier: 5.305A pdb=" N VAL L1607 " --> pdb=" O PRO L1603 " (cutoff:3.500A) removed outlier: 4.689A pdb=" N THR L1609 " --> pdb=" O ASN L1605 " (cutoff:3.500A) Processing helix chain 'L' and resid 1610 through 1644 removed outlier: 4.274A pdb=" N SER L1614 " --> pdb=" O GLU L1610 " (cutoff:3.500A) removed outlier: 4.087A pdb=" N PHE L1622 " --> pdb=" O GLY L1618 " (cutoff:3.500A) removed outlier: 3.881A pdb=" N MET L1629 " --> pdb=" O GLN L1625 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N MET L1630 " --> pdb=" O LEU L1626 " (cutoff:3.500A) removed outlier: 3.736A pdb=" N LYS L1634 " --> pdb=" O MET L1630 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N LYS L1641 " --> pdb=" O CYS L1637 " (cutoff:3.500A) removed outlier: 3.974A pdb=" N ARG L1642 " --> pdb=" O PHE L1638 " (cutoff:3.500A) removed outlier: 4.325A pdb=" N THR L1643 " --> pdb=" O HIS L1639 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N ALA L1644 " --> pdb=" O LEU L1640 " (cutoff:3.500A) Processing helix chain 'L' and resid 1652 through 1680 removed outlier: 3.632A pdb=" N LEU L1658 " --> pdb=" O GLN L1654 " (cutoff:3.500A) removed outlier: 4.128A pdb=" N PHE L1661 " --> pdb=" O GLN L1657 " (cutoff:3.500A) removed outlier: 3.963A pdb=" N LYS L1662 " --> pdb=" O LEU L1658 " (cutoff:3.500A) removed outlier: 3.504A pdb=" N HIS L1667 " --> pdb=" O HIS L1663 " (cutoff:3.500A) removed outlier: 4.265A pdb=" N PHE L1668 " --> pdb=" O GLU L1664 " (cutoff:3.500A) removed outlier: 3.607A pdb=" N VAL L1669 " --> pdb=" O MET L1665 " (cutoff:3.500A) removed outlier: 3.730A pdb=" N GLY L1674 " --> pdb=" O LYS L1670 " (cutoff:3.500A) Processing helix chain 'L' and resid 1682 through 1693 removed outlier: 4.738A pdb=" N PHE L1688 " --> pdb=" O THR L1684 " (cutoff:3.500A) removed outlier: 3.712A pdb=" N ARG L1689 " --> pdb=" O TRP L1685 " (cutoff:3.500A) removed outlier: 5.735A pdb=" N ARG L1691 " --> pdb=" O GLU L1687 " (cutoff:3.500A) removed outlier: 4.434A pdb=" N LEU L1692 " --> pdb=" O PHE L1688 " (cutoff:3.500A) removed outlier: 4.450A pdb=" N ALA L1693 " --> pdb=" O ARG L1689 " (cutoff:3.500A) Processing helix chain 'L' and resid 1698 through 1717 removed outlier: 3.998A pdb=" N GLN L1702 " --> pdb=" O LEU L1698 " (cutoff:3.500A) removed outlier: 3.775A pdb=" N HIS L1710 " --> pdb=" O ALA L1706 " (cutoff:3.500A) removed outlier: 4.164A pdb=" N LEU L1717 " --> pdb=" O VAL L1713 " (cutoff:3.500A) Processing helix chain 'L' and resid 1722 through 1743 removed outlier: 3.665A pdb=" N MET L1726 " --> pdb=" O ALA L1722 " (cutoff:3.500A) removed outlier: 3.845A pdb=" N ILE L1729 " --> pdb=" O VAL L1725 " (cutoff:3.500A) removed outlier: 3.740A pdb=" N HIS L1730 " --> pdb=" O MET L1726 " (cutoff:3.500A) removed outlier: 3.967A pdb=" N SER L1731 " --> pdb=" O ASN L1727 " (cutoff:3.500A) removed outlier: 3.503A pdb=" N GLN L1742 " --> pdb=" O LYS L1738 " (cutoff:3.500A) removed outlier: 4.729A pdb=" N LEU L1743 " --> pdb=" O PHE L1739 " (cutoff:3.500A) Processing helix chain 'L' and resid 1761 through 1789 removed outlier: 3.784A pdb=" N SER L1768 " --> pdb=" O LEU L1764 " (cutoff:3.500A) removed outlier: 4.103A pdb=" N LYS L1781 " --> pdb=" O HIS L1777 " (cutoff:3.500A) removed outlier: 3.562A pdb=" N THR L1784 " --> pdb=" O PHE L1780 " (cutoff:3.500A) removed outlier: 3.615A pdb=" N VAL L1787 " --> pdb=" O VAL L1783 " (cutoff:3.500A) removed outlier: 4.436A pdb=" N ASN L1788 " --> pdb=" O THR L1784 " (cutoff:3.500A) removed outlier: 4.779A pdb=" N ARG L1789 " --> pdb=" O LYS L1785 " (cutoff:3.500A) Processing helix chain 'L' and resid 1792 through 1803 removed outlier: 3.805A pdb=" N GLU L1796 " --> pdb=" O GLN L1792 " (cutoff:3.500A) removed outlier: 4.176A pdb=" N ASP L1797 " --> pdb=" O PRO L1793 " (cutoff:3.500A) removed outlier: 4.325A pdb=" N PHE L1798 " --> pdb=" O HIS L1794 " (cutoff:3.500A) removed outlier: 3.718A pdb=" N LEU L1799 " --> pdb=" O LEU L1795 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N LEU L1800 " --> pdb=" O GLU L1796 " (cutoff:3.500A) Processing helix chain 'U' and resid 55 through 62 Processing helix chain 'U' and resid 78 through 92 Processing helix chain 'U' and resid 97 through 102 removed outlier: 3.813A pdb=" N HIS U 101 " --> pdb=" O ALA U 97 " (cutoff:3.500A) Proline residue: U 102 - end of helix No H-bonds generated for 'chain 'U' and resid 97 through 102' Processing helix chain 'U' and resid 112 through 125 Processing helix chain 'U' and resid 136 through 146 Processing helix chain 'U' and resid 181 through 197 Processing helix chain 'U' and resid 202 through 216 Processing helix chain 'U' and resid 222 through 233 Processing helix chain 'U' and resid 251 through 261 removed outlier: 4.688A pdb=" N PHE U 255 " --> pdb=" O GLY U 251 " (cutoff:3.500A) Proline residue: U 258 - end of helix removed outlier: 4.829A pdb=" N LEU U 261 " --> pdb=" O CYS U 257 " (cutoff:3.500A) Processing helix chain 'U' and resid 263 through 268 removed outlier: 4.731A pdb=" N LEU U 267 " --> pdb=" O GLN U 263 " (cutoff:3.500A) Processing helix chain 'U' and resid 273 through 286 removed outlier: 3.513A pdb=" N CYS U 285 " --> pdb=" O SER U 281 " (cutoff:3.500A) removed outlier: 5.296A pdb=" N ASP U 286 " --> pdb=" O ILE U 282 " (cutoff:3.500A) Processing helix chain 'U' and resid 287 through 297 removed outlier: 4.728A pdb=" N LYS U 291 " --> pdb=" O VAL U 287 " (cutoff:3.500A) removed outlier: 5.601A pdb=" N ASP U 292 " --> pdb=" O ASP U 288 " (cutoff:3.500A) Processing helix chain 'U' and resid 301 through 306 removed outlier: 3.944A pdb=" N MET U 305 " --> pdb=" O GLY U 301 " (cutoff:3.500A) removed outlier: 4.868A pdb=" N TYR U 306 " --> pdb=" O GLY U 302 " (cutoff:3.500A) No H-bonds generated for 'chain 'U' and resid 301 through 306' Processing helix chain 'U' and resid 308 through 322 Proline residue: U 322 - end of helix Processing helix chain 'U' and resid 337 through 349 Processing helix chain 'U' and resid 350 through 356 removed outlier: 4.681A pdb=" N GLN U 354 " --> pdb=" O SER U 350 " (cutoff:3.500A) removed outlier: 4.509A pdb=" N MET U 355 " --> pdb=" O THR U 351 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N TRP U 356 " --> pdb=" O PHE U 352 " (cutoff:3.500A) No H-bonds generated for 'chain 'U' and resid 350 through 356' Processing helix chain 'U' and resid 358 through 366 Processing helix chain 'U' and resid 368 through 374 removed outlier: 4.291A pdb=" N ARG U 372 " --> pdb=" O SER U 368 " (cutoff:3.500A) Processing helix chain 'a' and resid 11 through 30 removed outlier: 4.619A pdb=" N GLY a 30 " --> pdb=" O CYS a 26 " (cutoff:3.500A) Processing helix chain 'a' and resid 72 through 81 removed outlier: 3.986A pdb=" N SER a 76 " --> pdb=" O ARG a 72 " (cutoff:3.500A) Proline residue: a 81 - end of helix Processing helix chain 'a' and resid 103 through 115 removed outlier: 3.591A pdb=" N GLY a 111 " --> pdb=" O GLY a 107 " (cutoff:3.500A) removed outlier: 3.501A pdb=" N GLU a 112 " --> pdb=" O PHE a 108 " (cutoff:3.500A) Processing helix chain 'a' and resid 116 through 129 removed outlier: 3.899A pdb=" N ILE a 121 " --> pdb=" O ASP a 117 " (cutoff:3.500A) removed outlier: 3.648A pdb=" N ILE a 122 " --> pdb=" O ILE a 118 " (cutoff:3.500A) removed outlier: 3.713A pdb=" N ARG a 124 " --> pdb=" O ASP a 120 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N SER a 129 " --> pdb=" O GLU a 125 " (cutoff:3.500A) Processing helix chain 'a' and resid 144 through 161 removed outlier: 3.503A pdb=" N GLU a 155 " --> pdb=" O SER a 151 " (cutoff:3.500A) removed outlier: 3.785A pdb=" N ASN a 158 " --> pdb=" O LEU a 154 " (cutoff:3.500A) Processing helix chain 'a' and resid 183 through 198 removed outlier: 3.671A pdb=" N THR a 191 " --> pdb=" O ASN a 187 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N LEU a 192 " --> pdb=" O SER a 188 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ARG a 194 " --> pdb=" O LEU a 190 " (cutoff:3.500A) removed outlier: 4.045A pdb=" N GLN a 197 " --> pdb=" O LYS a 193 " (cutoff:3.500A) Processing helix chain 'a' and resid 206 through 217 Processing helix chain 'a' and resid 224 through 246 removed outlier: 4.294A pdb=" N GLN a 230 " --> pdb=" O SER a 226 " (cutoff:3.500A) removed outlier: 4.166A pdb=" N LEU a 231 " --> pdb=" O GLN a 227 " (cutoff:3.500A) removed outlier: 3.689A pdb=" N THR a 234 " --> pdb=" O GLN a 230 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N ILE a 235 " --> pdb=" O LEU a 231 " (cutoff:3.500A) removed outlier: 4.104A pdb=" N THR a 241 " --> pdb=" O SER a 237 " (cutoff:3.500A) removed outlier: 5.563A pdb=" N THR a 242 " --> pdb=" O ALA a 238 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N LEU a 243 " --> pdb=" O SER a 239 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N ARG a 244 " --> pdb=" O THR a 240 " (cutoff:3.500A) removed outlier: 4.387A pdb=" N TYR a 245 " --> pdb=" O THR a 241 " (cutoff:3.500A) Proline residue: a 246 - end of helix Processing helix chain 'a' and resid 252 through 262 removed outlier: 3.662A pdb=" N LEU a 256 " --> pdb=" O ASP a 252 " (cutoff:3.500A) removed outlier: 3.783A pdb=" N SER a 259 " --> pdb=" O GLY a 255 " (cutoff:3.500A) removed outlier: 4.065A pdb=" N LEU a 260 " --> pdb=" O LEU a 256 " (cutoff:3.500A) Proline residue: a 262 - end of helix Processing helix chain 'a' and resid 289 through 300 removed outlier: 3.555A pdb=" N VAL a 293 " --> pdb=" O THR a 289 " (cutoff:3.500A) removed outlier: 3.985A pdb=" N LEU a 298 " --> pdb=" O MET a 294 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLN a 299 " --> pdb=" O ARG a 295 " (cutoff:3.500A) Proline residue: a 300 - end of helix Processing helix chain 'a' and resid 331 through 344 removed outlier: 4.441A pdb=" N LYS a 335 " --> pdb=" O THR a 331 " (cutoff:3.500A) Processing helix chain 'a' and resid 383 through 402 removed outlier: 4.331A pdb=" N LEU a 387 " --> pdb=" O SER a 383 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N PHE a 388 " --> pdb=" O ILE a 384 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ARG a 401 " --> pdb=" O LYS a 397 " (cutoff:3.500A) Processing helix chain 'a' and resid 418 through 440 removed outlier: 4.715A pdb=" N ASP a 422 " --> pdb=" O PHE a 418 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N THR a 423 " --> pdb=" O ASP a 419 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N THR a 439 " --> pdb=" O TYR a 435 " (cutoff:3.500A) removed outlier: 4.608A pdb=" N ARG a 440 " --> pdb=" O HIS a 436 " (cutoff:3.500A) Processing helix chain 'b' and resid 11 through 30 removed outlier: 4.182A pdb=" N GLY b 30 " --> pdb=" O CYS b 26 " (cutoff:3.500A) Processing helix chain 'b' and resid 72 through 81 removed outlier: 3.587A pdb=" N SER b 76 " --> pdb=" O ARG b 72 " (cutoff:3.500A) Proline residue: b 81 - end of helix Processing helix chain 'b' and resid 103 through 115 removed outlier: 3.516A pdb=" N GLN b 110 " --> pdb=" O SER b 106 " (cutoff:3.500A) removed outlier: 4.021A pdb=" N GLY b 111 " --> pdb=" O GLY b 107 " (cutoff:3.500A) Processing helix chain 'b' and resid 116 through 129 removed outlier: 4.009A pdb=" N ILE b 121 " --> pdb=" O ASP b 117 " (cutoff:3.500A) Processing helix chain 'b' and resid 144 through 161 removed outlier: 3.545A pdb=" N GLU b 155 " --> pdb=" O SER b 151 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ASN b 158 " --> pdb=" O LEU b 154 " (cutoff:3.500A) Processing helix chain 'b' and resid 183 through 198 removed outlier: 3.608A pdb=" N ARG b 194 " --> pdb=" O LEU b 190 " (cutoff:3.500A) removed outlier: 4.248A pdb=" N GLN b 197 " --> pdb=" O LYS b 193 " (cutoff:3.500A) Processing helix chain 'b' and resid 206 through 217 Processing helix chain 'b' and resid 224 through 246 removed outlier: 4.242A pdb=" N GLN b 230 " --> pdb=" O SER b 226 " (cutoff:3.500A) removed outlier: 4.176A pdb=" N LEU b 231 " --> pdb=" O GLN b 227 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N THR b 240 " --> pdb=" O MET b 236 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N THR b 241 " --> pdb=" O SER b 237 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N THR b 242 " --> pdb=" O ALA b 238 " (cutoff:3.500A) removed outlier: 6.001A pdb=" N LEU b 243 " --> pdb=" O SER b 239 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ARG b 244 " --> pdb=" O THR b 240 " (cutoff:3.500A) Proline residue: b 246 - end of helix Processing helix chain 'b' and resid 252 through 262 removed outlier: 3.795A pdb=" N LEU b 256 " --> pdb=" O ASP b 252 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N ILE b 257 " --> pdb=" O LEU b 253 " (cutoff:3.500A) removed outlier: 4.487A pdb=" N SER b 259 " --> pdb=" O GLY b 255 " (cutoff:3.500A) removed outlier: 4.146A pdb=" N LEU b 260 " --> pdb=" O LEU b 256 " (cutoff:3.500A) Proline residue: b 262 - end of helix Processing helix chain 'b' and resid 289 through 300 removed outlier: 3.602A pdb=" N VAL b 293 " --> pdb=" O THR b 289 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N GLN b 299 " --> pdb=" O ARG b 295 " (cutoff:3.500A) Proline residue: b 300 - end of helix Processing helix chain 'b' and resid 331 through 344 removed outlier: 4.623A pdb=" N LYS b 335 " --> pdb=" O THR b 331 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N LEU b 337 " --> pdb=" O VAL b 333 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N GLN b 338 " --> pdb=" O HIS b 334 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ARG b 341 " --> pdb=" O LEU b 337 " (cutoff:3.500A) removed outlier: 3.883A pdb=" N GLU b 342 " --> pdb=" O GLN b 338 " (cutoff:3.500A) Processing helix chain 'b' and resid 383 through 402 removed outlier: 4.646A pdb=" N LEU b 387 " --> pdb=" O SER b 383 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N PHE b 388 " --> pdb=" O ILE b 384 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N LEU b 398 " --> pdb=" O GLN b 394 " (cutoff:3.500A) removed outlier: 3.900A pdb=" N ARG b 401 " --> pdb=" O LYS b 397 " (cutoff:3.500A) Processing helix chain 'b' and resid 418 through 440 removed outlier: 4.234A pdb=" N ASP b 422 " --> pdb=" O PHE b 418 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLN b 429 " --> pdb=" O ARG b 425 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N THR b 439 " --> pdb=" O TYR b 435 " (cutoff:3.500A) removed outlier: 4.797A pdb=" N ARG b 440 " --> pdb=" O HIS b 436 " (cutoff:3.500A) Processing helix chain 'c' and resid 11 through 30 removed outlier: 4.603A pdb=" N GLY c 30 " --> pdb=" O CYS c 26 " (cutoff:3.500A) Processing helix chain 'c' and resid 72 through 81 removed outlier: 3.905A pdb=" N SER c 76 " --> pdb=" O ARG c 72 " (cutoff:3.500A) Proline residue: c 81 - end of helix Processing helix chain 'c' and resid 103 through 115 removed outlier: 3.577A pdb=" N HIS c 115 " --> pdb=" O GLY c 111 " (cutoff:3.500A) Processing helix chain 'c' and resid 116 through 129 removed outlier: 3.685A pdb=" N ILE c 121 " --> pdb=" O ASP c 117 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N GLY c 128 " --> pdb=" O ARG c 124 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N SER c 129 " --> pdb=" O GLU c 125 " (cutoff:3.500A) Processing helix chain 'c' and resid 144 through 161 removed outlier: 3.653A pdb=" N GLY c 148 " --> pdb=" O GLY c 144 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N GLU c 155 " --> pdb=" O SER c 151 " (cutoff:3.500A) removed outlier: 4.032A pdb=" N ASN c 158 " --> pdb=" O LEU c 154 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N ASP c 159 " --> pdb=" O GLU c 155 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N ARG c 160 " --> pdb=" O ARG c 156 " (cutoff:3.500A) Processing helix chain 'c' and resid 183 through 198 removed outlier: 3.612A pdb=" N THR c 191 " --> pdb=" O ASN c 187 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG c 194 " --> pdb=" O LEU c 190 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N GLN c 197 " --> pdb=" O LYS c 193 " (cutoff:3.500A) Processing helix chain 'c' and resid 206 through 217 Processing helix chain 'c' and resid 224 through 246 removed outlier: 4.607A pdb=" N GLN c 230 " --> pdb=" O SER c 226 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N LEU c 231 " --> pdb=" O GLN c 227 " (cutoff:3.500A) removed outlier: 3.796A pdb=" N THR c 240 " --> pdb=" O MET c 236 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N THR c 241 " --> pdb=" O SER c 237 " (cutoff:3.500A) removed outlier: 5.578A pdb=" N THR c 242 " --> pdb=" O ALA c 238 " (cutoff:3.500A) removed outlier: 5.949A pdb=" N LEU c 243 " --> pdb=" O SER c 239 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N ARG c 244 " --> pdb=" O THR c 240 " (cutoff:3.500A) Proline residue: c 246 - end of helix Processing helix chain 'c' and resid 252 through 262 removed outlier: 3.704A pdb=" N LEU c 256 " --> pdb=" O ASP c 252 " (cutoff:3.500A) removed outlier: 4.077A pdb=" N SER c 259 " --> pdb=" O GLY c 255 " (cutoff:3.500A) removed outlier: 4.146A pdb=" N LEU c 260 " --> pdb=" O LEU c 256 " (cutoff:3.500A) Proline residue: c 262 - end of helix Processing helix chain 'c' and resid 289 through 300 removed outlier: 3.559A pdb=" N ARG c 296 " --> pdb=" O ASP c 292 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU c 298 " --> pdb=" O MET c 294 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLN c 299 " --> pdb=" O ARG c 295 " (cutoff:3.500A) Proline residue: c 300 - end of helix Processing helix chain 'c' and resid 331 through 344 removed outlier: 4.695A pdb=" N LYS c 335 " --> pdb=" O THR c 331 " (cutoff:3.500A) Processing helix chain 'c' and resid 383 through 402 removed outlier: 4.601A pdb=" N LEU c 387 " --> pdb=" O SER c 383 " (cutoff:3.500A) removed outlier: 3.917A pdb=" N PHE c 388 " --> pdb=" O ILE c 384 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N ASP c 396 " --> pdb=" O CYS c 392 " (cutoff:3.500A) Processing helix chain 'c' and resid 418 through 440 removed outlier: 4.215A pdb=" N ASP c 422 " --> pdb=" O PHE c 418 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N THR c 439 " --> pdb=" O TYR c 435 " (cutoff:3.500A) removed outlier: 4.604A pdb=" N ARG c 440 " --> pdb=" O HIS c 436 " (cutoff:3.500A) Processing helix chain 'd' and resid 11 through 30 removed outlier: 4.182A pdb=" N GLY d 30 " --> pdb=" O CYS d 26 " (cutoff:3.500A) Processing helix chain 'd' and resid 72 through 81 removed outlier: 3.587A pdb=" N SER d 76 " --> pdb=" O ARG d 72 " (cutoff:3.500A) Proline residue: d 81 - end of helix Processing helix chain 'd' and resid 103 through 115 removed outlier: 3.516A pdb=" N GLN d 110 " --> pdb=" O SER d 106 " (cutoff:3.500A) removed outlier: 4.014A pdb=" N GLY d 111 " --> pdb=" O GLY d 107 " (cutoff:3.500A) Processing helix chain 'd' and resid 116 through 129 removed outlier: 4.009A pdb=" N ILE d 121 " --> pdb=" O ASP d 117 " (cutoff:3.500A) Processing helix chain 'd' and resid 144 through 161 removed outlier: 3.545A pdb=" N GLU d 155 " --> pdb=" O SER d 151 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ASN d 158 " --> pdb=" O LEU d 154 " (cutoff:3.500A) Processing helix chain 'd' and resid 183 through 198 removed outlier: 3.608A pdb=" N ARG d 194 " --> pdb=" O LEU d 190 " (cutoff:3.500A) removed outlier: 4.248A pdb=" N GLN d 197 " --> pdb=" O LYS d 193 " (cutoff:3.500A) Processing helix chain 'd' and resid 206 through 217 Processing helix chain 'd' and resid 224 through 246 removed outlier: 4.242A pdb=" N GLN d 230 " --> pdb=" O SER d 226 " (cutoff:3.500A) removed outlier: 4.176A pdb=" N LEU d 231 " --> pdb=" O GLN d 227 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N THR d 240 " --> pdb=" O MET d 236 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N THR d 241 " --> pdb=" O SER d 237 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N THR d 242 " --> pdb=" O ALA d 238 " (cutoff:3.500A) removed outlier: 6.000A pdb=" N LEU d 243 " --> pdb=" O SER d 239 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ARG d 244 " --> pdb=" O THR d 240 " (cutoff:3.500A) Proline residue: d 246 - end of helix Processing helix chain 'd' and resid 252 through 262 removed outlier: 3.795A pdb=" N LEU d 256 " --> pdb=" O ASP d 252 " (cutoff:3.500A) removed outlier: 3.568A pdb=" N ILE d 257 " --> pdb=" O LEU d 253 " (cutoff:3.500A) removed outlier: 4.487A pdb=" N SER d 259 " --> pdb=" O GLY d 255 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N LEU d 260 " --> pdb=" O LEU d 256 " (cutoff:3.500A) Proline residue: d 262 - end of helix Processing helix chain 'd' and resid 289 through 300 removed outlier: 3.602A pdb=" N VAL d 293 " --> pdb=" O THR d 289 " (cutoff:3.500A) removed outlier: 3.508A pdb=" N ARG d 295 " --> pdb=" O LEU d 291 " (cutoff:3.500A) removed outlier: 4.110A pdb=" N GLN d 299 " --> pdb=" O ARG d 295 " (cutoff:3.500A) Proline residue: d 300 - end of helix Processing helix chain 'd' and resid 331 through 344 removed outlier: 4.623A pdb=" N LYS d 335 " --> pdb=" O THR d 331 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N LEU d 337 " --> pdb=" O VAL d 333 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N GLN d 338 " --> pdb=" O HIS d 334 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ARG d 341 " --> pdb=" O LEU d 337 " (cutoff:3.500A) removed outlier: 3.883A pdb=" N GLU d 342 " --> pdb=" O GLN d 338 " (cutoff:3.500A) Processing helix chain 'd' and resid 383 through 402 removed outlier: 4.646A pdb=" N LEU d 387 " --> pdb=" O SER d 383 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N PHE d 388 " --> pdb=" O ILE d 384 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N LEU d 398 " --> pdb=" O GLN d 394 " (cutoff:3.500A) removed outlier: 3.900A pdb=" N ARG d 401 " --> pdb=" O LYS d 397 " (cutoff:3.500A) Processing helix chain 'd' and resid 418 through 440 removed outlier: 4.234A pdb=" N ASP d 422 " --> pdb=" O PHE d 418 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N GLN d 429 " --> pdb=" O ARG d 425 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N THR d 439 " --> pdb=" O TYR d 435 " (cutoff:3.500A) removed outlier: 4.798A pdb=" N ARG d 440 " --> pdb=" O HIS d 436 " (cutoff:3.500A) Processing helix chain 'e' and resid 11 through 30 removed outlier: 4.619A pdb=" N GLY e 30 " --> pdb=" O CYS e 26 " (cutoff:3.500A) Processing helix chain 'e' and resid 72 through 81 removed outlier: 3.986A pdb=" N SER e 76 " --> pdb=" O ARG e 72 " (cutoff:3.500A) Proline residue: e 81 - end of helix Processing helix chain 'e' and resid 103 through 115 removed outlier: 3.558A pdb=" N GLY e 111 " --> pdb=" O GLY e 107 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N GLU e 112 " --> pdb=" O PHE e 108 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N HIS e 115 " --> pdb=" O GLY e 111 " (cutoff:3.500A) Processing helix chain 'e' and resid 116 through 129 removed outlier: 4.392A pdb=" N ILE e 121 " --> pdb=" O ASP e 117 " (cutoff:3.500A) removed outlier: 3.951A pdb=" N ILE e 122 " --> pdb=" O ILE e 118 " (cutoff:3.500A) Processing helix chain 'e' and resid 144 through 161 removed outlier: 3.503A pdb=" N GLU e 155 " --> pdb=" O SER e 151 " (cutoff:3.500A) removed outlier: 3.737A pdb=" N ASN e 158 " --> pdb=" O LEU e 154 " (cutoff:3.500A) Processing helix chain 'e' and resid 183 through 198 removed outlier: 3.671A pdb=" N THR e 191 " --> pdb=" O ASN e 187 " (cutoff:3.500A) removed outlier: 3.646A pdb=" N LEU e 192 " --> pdb=" O SER e 188 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ARG e 194 " --> pdb=" O LEU e 190 " (cutoff:3.500A) removed outlier: 4.046A pdb=" N GLN e 197 " --> pdb=" O LYS e 193 " (cutoff:3.500A) Processing helix chain 'e' and resid 206 through 217 Processing helix chain 'e' and resid 224 through 246 removed outlier: 4.294A pdb=" N GLN e 230 " --> pdb=" O SER e 226 " (cutoff:3.500A) removed outlier: 4.166A pdb=" N LEU e 231 " --> pdb=" O GLN e 227 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N THR e 234 " --> pdb=" O GLN e 230 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N ILE e 235 " --> pdb=" O LEU e 231 " (cutoff:3.500A) removed outlier: 4.082A pdb=" N THR e 241 " --> pdb=" O SER e 237 " (cutoff:3.500A) removed outlier: 5.466A pdb=" N THR e 242 " --> pdb=" O ALA e 238 " (cutoff:3.500A) removed outlier: 6.176A pdb=" N LEU e 243 " --> pdb=" O SER e 239 " (cutoff:3.500A) Proline residue: e 246 - end of helix Processing helix chain 'e' and resid 252 through 262 removed outlier: 3.650A pdb=" N LEU e 256 " --> pdb=" O ASP e 252 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N ILE e 257 " --> pdb=" O LEU e 253 " (cutoff:3.500A) removed outlier: 3.782A pdb=" N SER e 259 " --> pdb=" O GLY e 255 " (cutoff:3.500A) removed outlier: 4.065A pdb=" N LEU e 260 " --> pdb=" O LEU e 256 " (cutoff:3.500A) Proline residue: e 262 - end of helix Processing helix chain 'e' and resid 289 through 300 removed outlier: 3.555A pdb=" N VAL e 293 " --> pdb=" O THR e 289 " (cutoff:3.500A) removed outlier: 3.986A pdb=" N LEU e 298 " --> pdb=" O MET e 294 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLN e 299 " --> pdb=" O ARG e 295 " (cutoff:3.500A) Proline residue: e 300 - end of helix Processing helix chain 'e' and resid 331 through 344 removed outlier: 4.441A pdb=" N LYS e 335 " --> pdb=" O THR e 331 " (cutoff:3.500A) Processing helix chain 'e' and resid 383 through 402 removed outlier: 4.331A pdb=" N LEU e 387 " --> pdb=" O SER e 383 " (cutoff:3.500A) removed outlier: 3.816A pdb=" N PHE e 388 " --> pdb=" O ILE e 384 " (cutoff:3.500A) removed outlier: 3.706A pdb=" N ARG e 401 " --> pdb=" O LYS e 397 " (cutoff:3.500A) Processing helix chain 'e' and resid 418 through 440 removed outlier: 4.716A pdb=" N ASP e 422 " --> pdb=" O PHE e 418 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N THR e 423 " --> pdb=" O ASP e 419 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N THR e 439 " --> pdb=" O TYR e 435 " (cutoff:3.500A) removed outlier: 4.608A pdb=" N ARG e 440 " --> pdb=" O HIS e 436 " (cutoff:3.500A) Processing helix chain 'f' and resid 11 through 30 removed outlier: 4.182A pdb=" N GLY f 30 " --> pdb=" O CYS f 26 " (cutoff:3.500A) Processing helix chain 'f' and resid 72 through 81 removed outlier: 3.587A pdb=" N SER f 76 " --> pdb=" O ARG f 72 " (cutoff:3.500A) Proline residue: f 81 - end of helix Processing helix chain 'f' and resid 103 through 115 removed outlier: 3.515A pdb=" N GLN f 110 " --> pdb=" O SER f 106 " (cutoff:3.500A) removed outlier: 4.020A pdb=" N GLY f 111 " --> pdb=" O GLY f 107 " (cutoff:3.500A) Processing helix chain 'f' and resid 116 through 129 removed outlier: 4.009A pdb=" N ILE f 121 " --> pdb=" O ASP f 117 " (cutoff:3.500A) Processing helix chain 'f' and resid 144 through 161 removed outlier: 3.544A pdb=" N GLU f 155 " --> pdb=" O SER f 151 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N ASN f 158 " --> pdb=" O LEU f 154 " (cutoff:3.500A) Processing helix chain 'f' and resid 183 through 198 removed outlier: 3.609A pdb=" N ARG f 194 " --> pdb=" O LEU f 190 " (cutoff:3.500A) removed outlier: 4.247A pdb=" N GLN f 197 " --> pdb=" O LYS f 193 " (cutoff:3.500A) Processing helix chain 'f' and resid 206 through 217 Processing helix chain 'f' and resid 224 through 246 removed outlier: 4.242A pdb=" N GLN f 230 " --> pdb=" O SER f 226 " (cutoff:3.500A) removed outlier: 4.176A pdb=" N LEU f 231 " --> pdb=" O GLN f 227 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N THR f 240 " --> pdb=" O MET f 236 " (cutoff:3.500A) removed outlier: 3.987A pdb=" N THR f 241 " --> pdb=" O SER f 237 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N THR f 242 " --> pdb=" O ALA f 238 " (cutoff:3.500A) removed outlier: 6.001A pdb=" N LEU f 243 " --> pdb=" O SER f 239 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ARG f 244 " --> pdb=" O THR f 240 " (cutoff:3.500A) Proline residue: f 246 - end of helix Processing helix chain 'f' and resid 252 through 262 removed outlier: 3.796A pdb=" N LEU f 256 " --> pdb=" O ASP f 252 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ILE f 257 " --> pdb=" O LEU f 253 " (cutoff:3.500A) removed outlier: 4.486A pdb=" N SER f 259 " --> pdb=" O GLY f 255 " (cutoff:3.500A) removed outlier: 4.146A pdb=" N LEU f 260 " --> pdb=" O LEU f 256 " (cutoff:3.500A) Proline residue: f 262 - end of helix Processing helix chain 'f' and resid 289 through 300 removed outlier: 3.602A pdb=" N VAL f 293 " --> pdb=" O THR f 289 " (cutoff:3.500A) removed outlier: 3.925A pdb=" N GLN f 299 " --> pdb=" O ARG f 295 " (cutoff:3.500A) Proline residue: f 300 - end of helix Processing helix chain 'f' and resid 331 through 344 removed outlier: 4.622A pdb=" N LYS f 335 " --> pdb=" O THR f 331 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N LEU f 337 " --> pdb=" O VAL f 333 " (cutoff:3.500A) removed outlier: 3.642A pdb=" N GLN f 338 " --> pdb=" O HIS f 334 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ARG f 341 " --> pdb=" O LEU f 337 " (cutoff:3.500A) removed outlier: 3.883A pdb=" N GLU f 342 " --> pdb=" O GLN f 338 " (cutoff:3.500A) Processing helix chain 'f' and resid 383 through 402 removed outlier: 4.646A pdb=" N LEU f 387 " --> pdb=" O SER f 383 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N PHE f 388 " --> pdb=" O ILE f 384 " (cutoff:3.500A) removed outlier: 3.556A pdb=" N LEU f 398 " --> pdb=" O GLN f 394 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N ARG f 401 " --> pdb=" O LYS f 397 " (cutoff:3.500A) Processing helix chain 'f' and resid 418 through 440 removed outlier: 4.234A pdb=" N ASP f 422 " --> pdb=" O PHE f 418 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N GLN f 429 " --> pdb=" O ARG f 425 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N THR f 439 " --> pdb=" O TYR f 435 " (cutoff:3.500A) removed outlier: 4.796A pdb=" N ARG f 440 " --> pdb=" O HIS f 436 " (cutoff:3.500A) Processing helix chain 'g' and resid 11 through 30 removed outlier: 4.603A pdb=" N GLY g 30 " --> pdb=" O CYS g 26 " (cutoff:3.500A) Processing helix chain 'g' and resid 72 through 81 removed outlier: 3.905A pdb=" N SER g 76 " --> pdb=" O ARG g 72 " (cutoff:3.500A) Proline residue: g 81 - end of helix Processing helix chain 'g' and resid 103 through 115 removed outlier: 3.576A pdb=" N HIS g 115 " --> pdb=" O GLY g 111 " (cutoff:3.500A) Processing helix chain 'g' and resid 116 through 129 removed outlier: 3.685A pdb=" N ILE g 121 " --> pdb=" O ASP g 117 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N GLY g 128 " --> pdb=" O ARG g 124 " (cutoff:3.500A) removed outlier: 3.803A pdb=" N SER g 129 " --> pdb=" O GLU g 125 " (cutoff:3.500A) Processing helix chain 'g' and resid 144 through 161 removed outlier: 3.653A pdb=" N GLY g 148 " --> pdb=" O GLY g 144 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N GLU g 155 " --> pdb=" O SER g 151 " (cutoff:3.500A) removed outlier: 4.032A pdb=" N ASN g 158 " --> pdb=" O LEU g 154 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N ASP g 159 " --> pdb=" O GLU g 155 " (cutoff:3.500A) removed outlier: 3.533A pdb=" N ARG g 160 " --> pdb=" O ARG g 156 " (cutoff:3.500A) Processing helix chain 'g' and resid 183 through 198 removed outlier: 3.612A pdb=" N THR g 191 " --> pdb=" O ASN g 187 " (cutoff:3.500A) removed outlier: 3.842A pdb=" N ARG g 194 " --> pdb=" O LEU g 190 " (cutoff:3.500A) removed outlier: 4.075A pdb=" N GLN g 197 " --> pdb=" O LYS g 193 " (cutoff:3.500A) Processing helix chain 'g' and resid 206 through 217 Processing helix chain 'g' and resid 224 through 246 removed outlier: 4.607A pdb=" N GLN g 230 " --> pdb=" O SER g 226 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N LEU g 231 " --> pdb=" O GLN g 227 " (cutoff:3.500A) removed outlier: 3.796A pdb=" N THR g 240 " --> pdb=" O MET g 236 " (cutoff:3.500A) removed outlier: 3.769A pdb=" N THR g 241 " --> pdb=" O SER g 237 " (cutoff:3.500A) removed outlier: 5.577A pdb=" N THR g 242 " --> pdb=" O ALA g 238 " (cutoff:3.500A) removed outlier: 5.949A pdb=" N LEU g 243 " --> pdb=" O SER g 239 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N ARG g 244 " --> pdb=" O THR g 240 " (cutoff:3.500A) Proline residue: g 246 - end of helix Processing helix chain 'g' and resid 252 through 262 removed outlier: 3.704A pdb=" N LEU g 256 " --> pdb=" O ASP g 252 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N SER g 259 " --> pdb=" O GLY g 255 " (cutoff:3.500A) removed outlier: 4.146A pdb=" N LEU g 260 " --> pdb=" O LEU g 256 " (cutoff:3.500A) Proline residue: g 262 - end of helix Processing helix chain 'g' and resid 289 through 300 removed outlier: 3.560A pdb=" N ARG g 296 " --> pdb=" O ASP g 292 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU g 298 " --> pdb=" O MET g 294 " (cutoff:3.500A) removed outlier: 3.901A pdb=" N GLN g 299 " --> pdb=" O ARG g 295 " (cutoff:3.500A) Proline residue: g 300 - end of helix Processing helix chain 'g' and resid 331 through 344 removed outlier: 5.108A pdb=" N LYS g 335 " --> pdb=" O THR g 331 " (cutoff:3.500A) Processing helix chain 'g' and resid 383 through 402 removed outlier: 4.600A pdb=" N LEU g 387 " --> pdb=" O SER g 383 " (cutoff:3.500A) removed outlier: 3.917A pdb=" N PHE g 388 " --> pdb=" O ILE g 384 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N ASP g 396 " --> pdb=" O CYS g 392 " (cutoff:3.500A) Processing helix chain 'g' and resid 418 through 440 removed outlier: 4.215A pdb=" N ASP g 422 " --> pdb=" O PHE g 418 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N THR g 439 " --> pdb=" O TYR g 435 " (cutoff:3.500A) removed outlier: 4.604A pdb=" N ARG g 440 " --> pdb=" O HIS g 436 " (cutoff:3.500A) Processing helix chain 'h' and resid 11 through 30 removed outlier: 4.183A pdb=" N GLY h 30 " --> pdb=" O CYS h 26 " (cutoff:3.500A) Processing helix chain 'h' and resid 72 through 81 removed outlier: 3.587A pdb=" N SER h 76 " --> pdb=" O ARG h 72 " (cutoff:3.500A) Proline residue: h 81 - end of helix Processing helix chain 'h' and resid 103 through 115 removed outlier: 3.516A pdb=" N GLN h 110 " --> pdb=" O SER h 106 " (cutoff:3.500A) removed outlier: 4.018A pdb=" N GLY h 111 " --> pdb=" O GLY h 107 " (cutoff:3.500A) Processing helix chain 'h' and resid 116 through 129 removed outlier: 4.008A pdb=" N ILE h 121 " --> pdb=" O ASP h 117 " (cutoff:3.500A) Processing helix chain 'h' and resid 144 through 161 removed outlier: 3.545A pdb=" N GLU h 155 " --> pdb=" O SER h 151 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N ASN h 158 " --> pdb=" O LEU h 154 " (cutoff:3.500A) Processing helix chain 'h' and resid 183 through 198 removed outlier: 3.608A pdb=" N ARG h 194 " --> pdb=" O LEU h 190 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N GLN h 197 " --> pdb=" O LYS h 193 " (cutoff:3.500A) Processing helix chain 'h' and resid 206 through 217 Processing helix chain 'h' and resid 224 through 246 removed outlier: 4.242A pdb=" N GLN h 230 " --> pdb=" O SER h 226 " (cutoff:3.500A) removed outlier: 4.176A pdb=" N LEU h 231 " --> pdb=" O GLN h 227 " (cutoff:3.500A) removed outlier: 3.684A pdb=" N THR h 240 " --> pdb=" O MET h 236 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N THR h 241 " --> pdb=" O SER h 237 " (cutoff:3.500A) removed outlier: 5.317A pdb=" N THR h 242 " --> pdb=" O ALA h 238 " (cutoff:3.500A) removed outlier: 6.002A pdb=" N LEU h 243 " --> pdb=" O SER h 239 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ARG h 244 " --> pdb=" O THR h 240 " (cutoff:3.500A) Proline residue: h 246 - end of helix Processing helix chain 'h' and resid 252 through 262 removed outlier: 3.796A pdb=" N LEU h 256 " --> pdb=" O ASP h 252 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ILE h 257 " --> pdb=" O LEU h 253 " (cutoff:3.500A) removed outlier: 4.487A pdb=" N SER h 259 " --> pdb=" O GLY h 255 " (cutoff:3.500A) removed outlier: 4.146A pdb=" N LEU h 260 " --> pdb=" O LEU h 256 " (cutoff:3.500A) Proline residue: h 262 - end of helix Processing helix chain 'h' and resid 289 through 300 removed outlier: 3.552A pdb=" N VAL h 293 " --> pdb=" O THR h 289 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N ARG h 295 " --> pdb=" O LEU h 291 " (cutoff:3.500A) removed outlier: 4.464A pdb=" N GLN h 299 " --> pdb=" O ARG h 295 " (cutoff:3.500A) Proline residue: h 300 - end of helix Processing helix chain 'h' and resid 331 through 344 removed outlier: 4.623A pdb=" N LYS h 335 " --> pdb=" O THR h 331 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N LEU h 337 " --> pdb=" O VAL h 333 " (cutoff:3.500A) removed outlier: 3.638A pdb=" N GLN h 338 " --> pdb=" O HIS h 334 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N ARG h 341 " --> pdb=" O LEU h 337 " (cutoff:3.500A) removed outlier: 4.083A pdb=" N GLU h 342 " --> pdb=" O GLN h 338 " (cutoff:3.500A) Processing helix chain 'h' and resid 383 through 402 removed outlier: 4.646A pdb=" N LEU h 387 " --> pdb=" O SER h 383 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N PHE h 388 " --> pdb=" O ILE h 384 " (cutoff:3.500A) removed outlier: 3.557A pdb=" N LEU h 398 " --> pdb=" O GLN h 394 " (cutoff:3.500A) removed outlier: 3.900A pdb=" N ARG h 401 " --> pdb=" O LYS h 397 " (cutoff:3.500A) Processing helix chain 'h' and resid 418 through 440 removed outlier: 4.234A pdb=" N ASP h 422 " --> pdb=" O PHE h 418 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLN h 429 " --> pdb=" O ARG h 425 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N THR h 439 " --> pdb=" O TYR h 435 " (cutoff:3.500A) removed outlier: 4.797A pdb=" N ARG h 440 " --> pdb=" O HIS h 436 " (cutoff:3.500A) Processing helix chain 'i' and resid 11 through 30 removed outlier: 4.249A pdb=" N GLY i 30 " --> pdb=" O CYS i 26 " (cutoff:3.500A) Processing helix chain 'i' and resid 72 through 81 removed outlier: 3.891A pdb=" N SER i 76 " --> pdb=" O ARG i 72 " (cutoff:3.500A) Proline residue: i 81 - end of helix Processing helix chain 'i' and resid 103 through 115 removed outlier: 3.671A pdb=" N GLN i 110 " --> pdb=" O SER i 106 " (cutoff:3.500A) removed outlier: 3.506A pdb=" N LYS i 113 " --> pdb=" O SER i 109 " (cutoff:3.500A) Processing helix chain 'i' and resid 116 through 129 removed outlier: 4.164A pdb=" N ILE i 121 " --> pdb=" O ASP i 117 " (cutoff:3.500A) Processing helix chain 'i' and resid 144 through 161 removed outlier: 3.647A pdb=" N GLY i 148 " --> pdb=" O GLY i 144 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N GLU i 155 " --> pdb=" O SER i 151 " (cutoff:3.500A) Processing helix chain 'i' and resid 183 through 198 removed outlier: 3.547A pdb=" N ASN i 187 " --> pdb=" O VAL i 183 " (cutoff:3.500A) removed outlier: 3.656A pdb=" N ARG i 194 " --> pdb=" O LEU i 190 " (cutoff:3.500A) removed outlier: 4.391A pdb=" N GLN i 197 " --> pdb=" O LYS i 193 " (cutoff:3.500A) Processing helix chain 'i' and resid 206 through 217 Processing helix chain 'i' and resid 224 through 246 removed outlier: 4.259A pdb=" N GLN i 230 " --> pdb=" O SER i 226 " (cutoff:3.500A) removed outlier: 4.052A pdb=" N LEU i 231 " --> pdb=" O GLN i 227 " (cutoff:3.500A) removed outlier: 3.747A pdb=" N VAL i 232 " --> pdb=" O ILE i 228 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N THR i 240 " --> pdb=" O MET i 236 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N THR i 241 " --> pdb=" O SER i 237 " (cutoff:3.500A) removed outlier: 5.690A pdb=" N THR i 242 " --> pdb=" O ALA i 238 " (cutoff:3.500A) removed outlier: 6.709A pdb=" N LEU i 243 " --> pdb=" O SER i 239 " (cutoff:3.500A) removed outlier: 4.128A pdb=" N ARG i 244 " --> pdb=" O THR i 240 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N TYR i 245 " --> pdb=" O THR i 241 " (cutoff:3.500A) Proline residue: i 246 - end of helix Processing helix chain 'i' and resid 252 through 262 removed outlier: 5.272A pdb=" N SER i 259 " --> pdb=" O GLY i 255 " (cutoff:3.500A) removed outlier: 4.268A pdb=" N LEU i 260 " --> pdb=" O LEU i 256 " (cutoff:3.500A) Proline residue: i 262 - end of helix Processing helix chain 'i' and resid 289 through 300 removed outlier: 3.501A pdb=" N LEU i 298 " --> pdb=" O MET i 294 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N GLN i 299 " --> pdb=" O ARG i 295 " (cutoff:3.500A) Proline residue: i 300 - end of helix Processing helix chain 'i' and resid 331 through 344 removed outlier: 4.837A pdb=" N LYS i 335 " --> pdb=" O THR i 331 " (cutoff:3.500A) Processing helix chain 'i' and resid 383 through 402 removed outlier: 4.401A pdb=" N LEU i 387 " --> pdb=" O SER i 383 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N PHE i 388 " --> pdb=" O ILE i 384 " (cutoff:3.500A) removed outlier: 3.512A pdb=" N ARG i 390 " --> pdb=" O SER i 386 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N THR i 391 " --> pdb=" O LEU i 387 " (cutoff:3.500A) removed outlier: 3.561A pdb=" N LYS i 400 " --> pdb=" O ASP i 396 " (cutoff:3.500A) Processing helix chain 'i' and resid 418 through 440 removed outlier: 4.237A pdb=" N ASP i 422 " --> pdb=" O PHE i 418 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N LEU i 431 " --> pdb=" O ILE i 427 " (cutoff:3.500A) removed outlier: 4.373A pdb=" N ARG i 440 " --> pdb=" O HIS i 436 " (cutoff:3.500A) Processing helix chain 'j' and resid 11 through 30 removed outlier: 4.832A pdb=" N GLY j 30 " --> pdb=" O CYS j 26 " (cutoff:3.500A) Processing helix chain 'j' and resid 72 through 81 removed outlier: 4.247A pdb=" N SER j 76 " --> pdb=" O ARG j 72 " (cutoff:3.500A) Proline residue: j 81 - end of helix Processing helix chain 'j' and resid 103 through 115 removed outlier: 3.532A pdb=" N GLU j 112 " --> pdb=" O PHE j 108 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N ILE j 114 " --> pdb=" O GLN j 110 " (cutoff:3.500A) Processing helix chain 'j' and resid 116 through 129 removed outlier: 4.302A pdb=" N ILE j 121 " --> pdb=" O ASP j 117 " (cutoff:3.500A) Processing helix chain 'j' and resid 144 through 161 removed outlier: 3.597A pdb=" N GLY j 148 " --> pdb=" O GLY j 144 " (cutoff:3.500A) removed outlier: 3.745A pdb=" N GLU j 155 " --> pdb=" O SER j 151 " (cutoff:3.500A) Processing helix chain 'j' and resid 183 through 198 removed outlier: 3.856A pdb=" N ASN j 187 " --> pdb=" O VAL j 183 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N THR j 191 " --> pdb=" O ASN j 187 " (cutoff:3.500A) removed outlier: 4.217A pdb=" N GLN j 197 " --> pdb=" O LYS j 193 " (cutoff:3.500A) Processing helix chain 'j' and resid 206 through 217 removed outlier: 3.553A pdb=" N THR j 215 " --> pdb=" O ASN j 211 " (cutoff:3.500A) Processing helix chain 'j' and resid 224 through 246 removed outlier: 3.579A pdb=" N ASN j 229 " --> pdb=" O PHE j 225 " (cutoff:3.500A) removed outlier: 4.619A pdb=" N GLN j 230 " --> pdb=" O SER j 226 " (cutoff:3.500A) removed outlier: 4.082A pdb=" N LEU j 231 " --> pdb=" O GLN j 227 " (cutoff:3.500A) removed outlier: 3.624A pdb=" N THR j 240 " --> pdb=" O MET j 236 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N THR j 241 " --> pdb=" O SER j 237 " (cutoff:3.500A) removed outlier: 5.421A pdb=" N THR j 242 " --> pdb=" O ALA j 238 " (cutoff:3.500A) removed outlier: 6.092A pdb=" N LEU j 243 " --> pdb=" O SER j 239 " (cutoff:3.500A) Proline residue: j 246 - end of helix Processing helix chain 'j' and resid 252 through 262 removed outlier: 3.629A pdb=" N LEU j 256 " --> pdb=" O ASP j 252 " (cutoff:3.500A) removed outlier: 3.661A pdb=" N ALA j 258 " --> pdb=" O ILE j 254 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N SER j 259 " --> pdb=" O GLY j 255 " (cutoff:3.500A) removed outlier: 4.251A pdb=" N LEU j 260 " --> pdb=" O LEU j 256 " (cutoff:3.500A) Proline residue: j 262 - end of helix Processing helix chain 'j' and resid 289 through 300 removed outlier: 3.536A pdb=" N MET j 294 " --> pdb=" O VAL j 290 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N GLN j 299 " --> pdb=" O ARG j 295 " (cutoff:3.500A) Proline residue: j 300 - end of helix Processing helix chain 'j' and resid 331 through 344 removed outlier: 5.303A pdb=" N LYS j 335 " --> pdb=" O THR j 331 " (cutoff:3.500A) removed outlier: 3.651A pdb=" N GLN j 338 " --> pdb=" O HIS j 334 " (cutoff:3.500A) Processing helix chain 'j' and resid 383 through 402 removed outlier: 4.526A pdb=" N LEU j 387 " --> pdb=" O SER j 383 " (cutoff:3.500A) removed outlier: 3.738A pdb=" N PHE j 388 " --> pdb=" O ILE j 384 " (cutoff:3.500A) removed outlier: 3.851A pdb=" N THR j 391 " --> pdb=" O LEU j 387 " (cutoff:3.500A) removed outlier: 3.865A pdb=" N LYS j 400 " --> pdb=" O ASP j 396 " (cutoff:3.500A) removed outlier: 3.668A pdb=" N ARG j 401 " --> pdb=" O LYS j 397 " (cutoff:3.500A) Processing helix chain 'j' and resid 418 through 440 removed outlier: 4.661A pdb=" N ASP j 422 " --> pdb=" O PHE j 418 " (cutoff:3.500A) removed outlier: 3.589A pdb=" N ALA j 437 " --> pdb=" O ASP j 433 " (cutoff:3.500A) removed outlier: 3.534A pdb=" N THR j 439 " --> pdb=" O TYR j 435 " (cutoff:3.500A) removed outlier: 4.626A pdb=" N ARG j 440 " --> pdb=" O HIS j 436 " (cutoff:3.500A) Processing helix chain 'm' and resid 11 through 30 removed outlier: 4.602A pdb=" N GLY m 30 " --> pdb=" O CYS m 26 " (cutoff:3.500A) Processing helix chain 'm' and resid 72 through 81 removed outlier: 3.905A pdb=" N SER m 76 " --> pdb=" O ARG m 72 " (cutoff:3.500A) Proline residue: m 81 - end of helix Processing helix chain 'm' and resid 103 through 115 removed outlier: 3.576A pdb=" N HIS m 115 " --> pdb=" O GLY m 111 " (cutoff:3.500A) Processing helix chain 'm' and resid 116 through 129 removed outlier: 3.684A pdb=" N ILE m 121 " --> pdb=" O ASP m 117 " (cutoff:3.500A) removed outlier: 3.731A pdb=" N GLY m 128 " --> pdb=" O ARG m 124 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N SER m 129 " --> pdb=" O GLU m 125 " (cutoff:3.500A) Processing helix chain 'm' and resid 144 through 161 removed outlier: 3.653A pdb=" N GLY m 148 " --> pdb=" O GLY m 144 " (cutoff:3.500A) removed outlier: 3.592A pdb=" N GLU m 155 " --> pdb=" O SER m 151 " (cutoff:3.500A) removed outlier: 4.033A pdb=" N ASN m 158 " --> pdb=" O LEU m 154 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N ASP m 159 " --> pdb=" O GLU m 155 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N ARG m 160 " --> pdb=" O ARG m 156 " (cutoff:3.500A) Processing helix chain 'm' and resid 183 through 198 removed outlier: 3.613A pdb=" N THR m 191 " --> pdb=" O ASN m 187 " (cutoff:3.500A) removed outlier: 3.843A pdb=" N ARG m 194 " --> pdb=" O LEU m 190 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLN m 197 " --> pdb=" O LYS m 193 " (cutoff:3.500A) Processing helix chain 'm' and resid 206 through 217 Processing helix chain 'm' and resid 224 through 246 removed outlier: 4.606A pdb=" N GLN m 230 " --> pdb=" O SER m 226 " (cutoff:3.500A) removed outlier: 3.714A pdb=" N LEU m 231 " --> pdb=" O GLN m 227 " (cutoff:3.500A) removed outlier: 3.795A pdb=" N THR m 240 " --> pdb=" O MET m 236 " (cutoff:3.500A) removed outlier: 3.770A pdb=" N THR m 241 " --> pdb=" O SER m 237 " (cutoff:3.500A) removed outlier: 5.578A pdb=" N THR m 242 " --> pdb=" O ALA m 238 " (cutoff:3.500A) removed outlier: 5.949A pdb=" N LEU m 243 " --> pdb=" O SER m 239 " (cutoff:3.500A) removed outlier: 3.578A pdb=" N ARG m 244 " --> pdb=" O THR m 240 " (cutoff:3.500A) Proline residue: m 246 - end of helix Processing helix chain 'm' and resid 252 through 262 removed outlier: 3.704A pdb=" N LEU m 256 " --> pdb=" O ASP m 252 " (cutoff:3.500A) removed outlier: 4.078A pdb=" N SER m 259 " --> pdb=" O GLY m 255 " (cutoff:3.500A) removed outlier: 4.147A pdb=" N LEU m 260 " --> pdb=" O LEU m 256 " (cutoff:3.500A) Proline residue: m 262 - end of helix Processing helix chain 'm' and resid 289 through 300 removed outlier: 3.560A pdb=" N ARG m 296 " --> pdb=" O ASP m 292 " (cutoff:3.500A) removed outlier: 3.833A pdb=" N LEU m 298 " --> pdb=" O MET m 294 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N GLN m 299 " --> pdb=" O ARG m 295 " (cutoff:3.500A) Proline residue: m 300 - end of helix Processing helix chain 'm' and resid 331 through 344 removed outlier: 4.823A pdb=" N LYS m 335 " --> pdb=" O THR m 331 " (cutoff:3.500A) removed outlier: 3.576A pdb=" N SER m 336 " --> pdb=" O GLN m 332 " (cutoff:3.500A) removed outlier: 3.531A pdb=" N LEU m 337 " --> pdb=" O VAL m 333 " (cutoff:3.500A) Processing helix chain 'm' and resid 383 through 402 removed outlier: 4.601A pdb=" N LEU m 387 " --> pdb=" O SER m 383 " (cutoff:3.500A) removed outlier: 3.917A pdb=" N PHE m 388 " --> pdb=" O ILE m 384 " (cutoff:3.500A) removed outlier: 3.570A pdb=" N ASP m 396 " --> pdb=" O CYS m 392 " (cutoff:3.500A) Processing helix chain 'm' and resid 418 through 440 removed outlier: 4.215A pdb=" N ASP m 422 " --> pdb=" O PHE m 418 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N THR m 439 " --> pdb=" O TYR m 435 " (cutoff:3.500A) removed outlier: 4.604A pdb=" N ARG m 440 " --> pdb=" O HIS m 436 " (cutoff:3.500A) Processing helix chain 'k' and resid 11 through 30 removed outlier: 3.552A pdb=" N PHE k 19 " --> pdb=" O ASN k 15 " (cutoff:3.500A) removed outlier: 4.484A pdb=" N GLY k 30 " --> pdb=" O CYS k 26 " (cutoff:3.500A) Processing helix chain 'k' and resid 72 through 81 removed outlier: 3.929A pdb=" N SER k 76 " --> pdb=" O ARG k 72 " (cutoff:3.500A) removed outlier: 3.702A pdb=" N SER k 80 " --> pdb=" O SER k 76 " (cutoff:3.500A) Proline residue: k 81 - end of helix Processing helix chain 'k' and resid 103 through 115 Processing helix chain 'k' and resid 116 through 130 removed outlier: 3.791A pdb=" N ASP k 120 " --> pdb=" O GLU k 116 " (cutoff:3.500A) removed outlier: 4.305A pdb=" N ILE k 121 " --> pdb=" O ASP k 117 " (cutoff:3.500A) removed outlier: 5.196A pdb=" N ASP k 130 " --> pdb=" O ALA k 126 " (cutoff:3.500A) Processing helix chain 'k' and resid 143 through 161 removed outlier: 4.733A pdb=" N SER k 151 " --> pdb=" O SER k 147 " (cutoff:3.500A) removed outlier: 3.801A pdb=" N TYR k 152 " --> pdb=" O GLY k 148 " (cutoff:3.500A) removed outlier: 3.593A pdb=" N LEU k 154 " --> pdb=" O GLY k 150 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N GLU k 155 " --> pdb=" O SER k 151 " (cutoff:3.500A) Processing helix chain 'k' and resid 183 through 198 removed outlier: 4.110A pdb=" N ARG k 194 " --> pdb=" O LEU k 190 " (cutoff:3.500A) removed outlier: 4.382A pdb=" N GLN k 197 " --> pdb=" O LYS k 193 " (cutoff:3.500A) Processing helix chain 'k' and resid 206 through 217 removed outlier: 3.509A pdb=" N THR k 215 " --> pdb=" O ASN k 211 " (cutoff:3.500A) Processing helix chain 'k' and resid 226 through 246 removed outlier: 4.643A pdb=" N GLN k 230 " --> pdb=" O SER k 226 " (cutoff:3.500A) removed outlier: 4.347A pdb=" N LEU k 231 " --> pdb=" O GLN k 227 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N THR k 234 " --> pdb=" O GLN k 230 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N THR k 241 " --> pdb=" O SER k 237 " (cutoff:3.500A) removed outlier: 5.326A pdb=" N THR k 242 " --> pdb=" O ALA k 238 " (cutoff:3.500A) removed outlier: 6.249A pdb=" N LEU k 243 " --> pdb=" O SER k 239 " (cutoff:3.500A) removed outlier: 3.837A pdb=" N ARG k 244 " --> pdb=" O THR k 240 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N TYR k 245 " --> pdb=" O THR k 241 " (cutoff:3.500A) Proline residue: k 246 - end of helix Processing helix chain 'k' and resid 252 through 262 removed outlier: 3.680A pdb=" N LEU k 256 " --> pdb=" O ASP k 252 " (cutoff:3.500A) removed outlier: 5.526A pdb=" N SER k 259 " --> pdb=" O GLY k 255 " (cutoff:3.500A) removed outlier: 4.229A pdb=" N LEU k 260 " --> pdb=" O LEU k 256 " (cutoff:3.500A) Proline residue: k 262 - end of helix Processing helix chain 'k' and resid 289 through 299 removed outlier: 3.573A pdb=" N VAL k 293 " --> pdb=" O THR k 289 " (cutoff:3.500A) removed outlier: 3.600A pdb=" N MET k 294 " --> pdb=" O VAL k 290 " (cutoff:3.500A) removed outlier: 3.710A pdb=" N ARG k 295 " --> pdb=" O LEU k 291 " (cutoff:3.500A) removed outlier: 3.980A pdb=" N ARG k 296 " --> pdb=" O ASP k 292 " (cutoff:3.500A) removed outlier: 3.548A pdb=" N LEU k 298 " --> pdb=" O MET k 294 " (cutoff:3.500A) removed outlier: 4.262A pdb=" N GLN k 299 " --> pdb=" O ARG k 295 " (cutoff:3.500A) Processing helix chain 'k' and resid 329 through 344 removed outlier: 4.555A pdb=" N VAL k 333 " --> pdb=" O ASP k 329 " (cutoff:3.500A) removed outlier: 5.391A pdb=" N HIS k 334 " --> pdb=" O PRO k 330 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS k 335 " --> pdb=" O THR k 331 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N GLN k 338 " --> pdb=" O HIS k 334 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N ARG k 339 " --> pdb=" O LYS k 335 " (cutoff:3.500A) Processing helix chain 'k' and resid 381 through 402 removed outlier: 5.150A pdb=" N SER k 385 " --> pdb=" O HIS k 381 " (cutoff:3.500A) removed outlier: 4.685A pdb=" N SER k 386 " --> pdb=" O THR k 382 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N LEU k 387 " --> pdb=" O SER k 383 " (cutoff:3.500A) removed outlier: 3.768A pdb=" N PHE k 388 " --> pdb=" O ILE k 384 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N LYS k 400 " --> pdb=" O ASP k 396 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N ARG k 401 " --> pdb=" O LYS k 397 " (cutoff:3.500A) Processing helix chain 'k' and resid 418 through 441 removed outlier: 4.536A pdb=" N ASP k 422 " --> pdb=" O PHE k 418 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N ARG k 425 " --> pdb=" O MET k 421 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLU k 426 " --> pdb=" O ASP k 422 " (cutoff:3.500A) removed outlier: 3.566A pdb=" N LEU k 431 " --> pdb=" O ILE k 427 " (cutoff:3.500A) removed outlier: 4.646A pdb=" N ARG k 440 " --> pdb=" O HIS k 436 " (cutoff:3.500A) Proline residue: k 441 - end of helix Processing helix chain 'l' and resid 11 through 30 removed outlier: 3.790A pdb=" N ASN l 15 " --> pdb=" O GLY l 11 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N HIS l 29 " --> pdb=" O LEU l 25 " (cutoff:3.500A) removed outlier: 4.848A pdb=" N GLY l 30 " --> pdb=" O CYS l 26 " (cutoff:3.500A) Processing helix chain 'l' and resid 72 through 81 removed outlier: 4.338A pdb=" N SER l 76 " --> pdb=" O ARG l 72 " (cutoff:3.500A) Proline residue: l 81 - end of helix Processing helix chain 'l' and resid 103 through 115 removed outlier: 3.655A pdb=" N GLY l 111 " --> pdb=" O GLY l 107 " (cutoff:3.500A) removed outlier: 3.597A pdb=" N HIS l 115 " --> pdb=" O GLY l 111 " (cutoff:3.500A) Processing helix chain 'l' and resid 116 through 130 removed outlier: 4.752A pdb=" N ILE l 121 " --> pdb=" O ASP l 117 " (cutoff:3.500A) removed outlier: 3.858A pdb=" N ILE l 122 " --> pdb=" O ILE l 118 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N SER l 129 " --> pdb=" O GLU l 125 " (cutoff:3.500A) removed outlier: 5.009A pdb=" N ASP l 130 " --> pdb=" O ALA l 126 " (cutoff:3.500A) Processing helix chain 'l' and resid 143 through 161 removed outlier: 6.162A pdb=" N SER l 147 " --> pdb=" O GLY l 143 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N GLY l 148 " --> pdb=" O GLY l 144 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU l 154 " --> pdb=" O GLY l 150 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N GLU l 155 " --> pdb=" O SER l 151 " (cutoff:3.500A) removed outlier: 3.502A pdb=" N TYR l 161 " --> pdb=" O LEU l 157 " (cutoff:3.500A) Processing helix chain 'l' and resid 183 through 198 removed outlier: 3.693A pdb=" N THR l 191 " --> pdb=" O ASN l 187 " (cutoff:3.500A) removed outlier: 3.537A pdb=" N LEU l 192 " --> pdb=" O SER l 188 " (cutoff:3.500A) removed outlier: 3.685A pdb=" N LYS l 193 " --> pdb=" O LEU l 189 " (cutoff:3.500A) removed outlier: 3.821A pdb=" N ARG l 194 " --> pdb=" O LEU l 190 " (cutoff:3.500A) removed outlier: 4.462A pdb=" N GLN l 197 " --> pdb=" O LYS l 193 " (cutoff:3.500A) Processing helix chain 'l' and resid 206 through 217 removed outlier: 3.592A pdb=" N ILE l 213 " --> pdb=" O ALA l 209 " (cutoff:3.500A) Processing helix chain 'l' and resid 226 through 246 removed outlier: 4.305A pdb=" N GLN l 230 " --> pdb=" O SER l 226 " (cutoff:3.500A) removed outlier: 4.433A pdb=" N LEU l 231 " --> pdb=" O GLN l 227 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N THR l 234 " --> pdb=" O GLN l 230 " (cutoff:3.500A) removed outlier: 3.519A pdb=" N THR l 240 " --> pdb=" O MET l 236 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N THR l 241 " --> pdb=" O SER l 237 " (cutoff:3.500A) removed outlier: 5.287A pdb=" N THR l 242 " --> pdb=" O ALA l 238 " (cutoff:3.500A) removed outlier: 5.994A pdb=" N LEU l 243 " --> pdb=" O SER l 239 " (cutoff:3.500A) Proline residue: l 246 - end of helix Processing helix chain 'l' and resid 252 through 262 removed outlier: 3.681A pdb=" N LEU l 256 " --> pdb=" O ASP l 252 " (cutoff:3.500A) removed outlier: 3.643A pdb=" N ILE l 257 " --> pdb=" O LEU l 253 " (cutoff:3.500A) removed outlier: 4.992A pdb=" N SER l 259 " --> pdb=" O GLY l 255 " (cutoff:3.500A) removed outlier: 4.148A pdb=" N LEU l 260 " --> pdb=" O LEU l 256 " (cutoff:3.500A) Proline residue: l 262 - end of helix Processing helix chain 'l' and resid 289 through 299 removed outlier: 3.771A pdb=" N ARG l 295 " --> pdb=" O LEU l 291 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N LEU l 298 " --> pdb=" O MET l 294 " (cutoff:3.500A) removed outlier: 4.276A pdb=" N GLN l 299 " --> pdb=" O ARG l 295 " (cutoff:3.500A) Processing helix chain 'l' and resid 329 through 344 removed outlier: 4.602A pdb=" N VAL l 333 " --> pdb=" O ASP l 329 " (cutoff:3.500A) removed outlier: 5.134A pdb=" N HIS l 334 " --> pdb=" O PRO l 330 " (cutoff:3.500A) removed outlier: 5.050A pdb=" N LYS l 335 " --> pdb=" O THR l 331 " (cutoff:3.500A) removed outlier: 3.530A pdb=" N LEU l 337 " --> pdb=" O VAL l 333 " (cutoff:3.500A) Processing helix chain 'l' and resid 381 through 402 removed outlier: 4.971A pdb=" N SER l 385 " --> pdb=" O HIS l 381 " (cutoff:3.500A) removed outlier: 4.848A pdb=" N SER l 386 " --> pdb=" O THR l 382 " (cutoff:3.500A) removed outlier: 4.231A pdb=" N LEU l 387 " --> pdb=" O SER l 383 " (cutoff:3.500A) removed outlier: 3.791A pdb=" N PHE l 388 " --> pdb=" O ILE l 384 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N GLN l 394 " --> pdb=" O ARG l 390 " (cutoff:3.500A) Processing helix chain 'l' and resid 418 through 441 removed outlier: 4.266A pdb=" N ASP l 422 " --> pdb=" O PHE l 418 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N THR l 439 " --> pdb=" O TYR l 435 " (cutoff:3.500A) removed outlier: 4.720A pdb=" N ARG l 440 " --> pdb=" O HIS l 436 " (cutoff:3.500A) Proline residue: l 441 - end of helix Processing helix chain 't' and resid 11 through 30 removed outlier: 4.425A pdb=" N GLY t 30 " --> pdb=" O CYS t 26 " (cutoff:3.500A) Processing helix chain 't' and resid 72 through 81 removed outlier: 3.654A pdb=" N SER t 76 " --> pdb=" O ARG t 72 " (cutoff:3.500A) Proline residue: t 81 - end of helix Processing helix chain 't' and resid 103 through 115 Processing helix chain 't' and resid 116 through 130 removed outlier: 3.879A pdb=" N ILE t 121 " --> pdb=" O ASP t 117 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N SER t 129 " --> pdb=" O GLU t 125 " (cutoff:3.500A) removed outlier: 5.283A pdb=" N ASP t 130 " --> pdb=" O ALA t 126 " (cutoff:3.500A) Processing helix chain 't' and resid 143 through 161 removed outlier: 4.547A pdb=" N SER t 147 " --> pdb=" O GLY t 143 " (cutoff:3.500A) removed outlier: 4.698A pdb=" N GLY t 148 " --> pdb=" O GLY t 144 " (cutoff:3.500A) Processing helix chain 't' and resid 183 through 198 removed outlier: 4.412A pdb=" N GLN t 197 " --> pdb=" O LYS t 193 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N ASN t 198 " --> pdb=" O ARG t 194 " (cutoff:3.500A) Processing helix chain 't' and resid 206 through 217 Processing helix chain 't' and resid 226 through 246 removed outlier: 4.332A pdb=" N GLN t 230 " --> pdb=" O SER t 226 " (cutoff:3.500A) removed outlier: 3.756A pdb=" N LEU t 231 " --> pdb=" O GLN t 227 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N THR t 240 " --> pdb=" O MET t 236 " (cutoff:3.500A) removed outlier: 3.796A pdb=" N THR t 241 " --> pdb=" O SER t 237 " (cutoff:3.500A) removed outlier: 5.482A pdb=" N THR t 242 " --> pdb=" O ALA t 238 " (cutoff:3.500A) removed outlier: 6.165A pdb=" N LEU t 243 " --> pdb=" O SER t 239 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ARG t 244 " --> pdb=" O THR t 240 " (cutoff:3.500A) Proline residue: t 246 - end of helix Processing helix chain 't' and resid 252 through 262 removed outlier: 3.556A pdb=" N LEU t 256 " --> pdb=" O ASP t 252 " (cutoff:3.500A) removed outlier: 4.221A pdb=" N SER t 259 " --> pdb=" O GLY t 255 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N LEU t 260 " --> pdb=" O LEU t 256 " (cutoff:3.500A) Proline residue: t 262 - end of helix Processing helix chain 't' and resid 289 through 299 removed outlier: 3.986A pdb=" N GLN t 299 " --> pdb=" O ARG t 295 " (cutoff:3.500A) Processing helix chain 't' and resid 329 through 344 removed outlier: 4.770A pdb=" N VAL t 333 " --> pdb=" O ASP t 329 " (cutoff:3.500A) removed outlier: 5.451A pdb=" N HIS t 334 " --> pdb=" O PRO t 330 " (cutoff:3.500A) removed outlier: 4.728A pdb=" N LYS t 335 " --> pdb=" O THR t 331 " (cutoff:3.500A) Processing helix chain 't' and resid 381 through 402 removed outlier: 5.210A pdb=" N SER t 385 " --> pdb=" O HIS t 381 " (cutoff:3.500A) removed outlier: 4.936A pdb=" N SER t 386 " --> pdb=" O THR t 382 " (cutoff:3.500A) removed outlier: 4.385A pdb=" N LEU t 387 " --> pdb=" O SER t 383 " (cutoff:3.500A) removed outlier: 3.844A pdb=" N PHE t 388 " --> pdb=" O ILE t 384 " (cutoff:3.500A) removed outlier: 3.752A pdb=" N ARG t 401 " --> pdb=" O LYS t 397 " (cutoff:3.500A) removed outlier: 3.521A pdb=" N GLU t 402 " --> pdb=" O LEU t 398 " (cutoff:3.500A) Processing helix chain 't' and resid 418 through 441 removed outlier: 4.342A pdb=" N ASP t 422 " --> pdb=" O PHE t 418 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N THR t 439 " --> pdb=" O TYR t 435 " (cutoff:3.500A) removed outlier: 4.818A pdb=" N ARG t 440 " --> pdb=" O HIS t 436 " (cutoff:3.500A) Proline residue: t 441 - end of helix Processing sheet with id= 1, first strand: chain 'A' and resid 261 through 264 No H-bonds generated for sheet with id= 1 Processing sheet with id= 2, first strand: chain 'A' and resid 601 through 604 removed outlier: 3.668A pdb=" N SER A 645 " --> pdb=" O ASP A 604 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'C' and resid 261 through 264 No H-bonds generated for sheet with id= 3 Processing sheet with id= 4, first strand: chain 'C' and resid 601 through 604 Processing sheet with id= 5, first strand: chain 'E' and resid 261 through 264 No H-bonds generated for sheet with id= 5 Processing sheet with id= 6, first strand: chain 'E' and resid 601 through 604 removed outlier: 3.668A pdb=" N SER E 645 " --> pdb=" O ASP E 604 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'G' and resid 261 through 264 No H-bonds generated for sheet with id= 7 Processing sheet with id= 8, first strand: chain 'G' and resid 601 through 604 Processing sheet with id= 9, first strand: chain 'M' and resid 261 through 264 No H-bonds generated for sheet with id= 9 Processing sheet with id= 10, first strand: chain 'M' and resid 601 through 604 Processing sheet with id= 11, first strand: chain 'B' and resid 447 through 451 removed outlier: 5.773A pdb=" N PHE B 447 " --> pdb=" O ARG B 467 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N LYS B 463 " --> pdb=" O ASP B 451 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'D' and resid 447 through 451 removed outlier: 5.772A pdb=" N PHE D 447 " --> pdb=" O ARG D 467 " (cutoff:3.500A) removed outlier: 5.390A pdb=" N LYS D 463 " --> pdb=" O ASP D 451 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'F' and resid 447 through 451 removed outlier: 5.772A pdb=" N PHE F 447 " --> pdb=" O ARG F 467 " (cutoff:3.500A) removed outlier: 5.386A pdb=" N LYS F 463 " --> pdb=" O ASP F 451 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'H' and resid 447 through 451 removed outlier: 5.772A pdb=" N PHE H 447 " --> pdb=" O ARG H 467 " (cutoff:3.500A) removed outlier: 5.384A pdb=" N LYS H 463 " --> pdb=" O ASP H 451 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'T' and resid 447 through 451 removed outlier: 5.805A pdb=" N PHE T 447 " --> pdb=" O ARG T 467 " (cutoff:3.500A) removed outlier: 5.475A pdb=" N LYS T 463 " --> pdb=" O ASP T 451 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'I' and resid 413 through 417 removed outlier: 6.831A pdb=" N LEU I 413 " --> pdb=" O LYS I 457 " (cutoff:3.500A) removed outlier: 3.735A pdb=" N LYS I 457 " --> pdb=" O LEU I 413 " (cutoff:3.500A) removed outlier: 3.640A pdb=" N HIS I 415 " --> pdb=" O SER I 455 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'K' and resid 413 through 417 removed outlier: 6.829A pdb=" N LEU K 413 " --> pdb=" O LYS K 457 " (cutoff:3.500A) removed outlier: 3.567A pdb=" N LYS K 457 " --> pdb=" O LEU K 413 " (cutoff:3.500A) removed outlier: 3.716A pdb=" N HIS K 415 " --> pdb=" O SER K 455 " (cutoff:3.500A) removed outlier: 3.734A pdb=" N SER K 455 " --> pdb=" O HIS K 415 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'J' and resid 262 through 265 removed outlier: 6.535A pdb=" N ILE J 301 " --> pdb=" O VAL J 263 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'L' and resid 1572 through 1576 removed outlier: 4.078A pdb=" N ALA L1575 " --> pdb=" O GLU L1595 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'U' and resid 29 through 32 removed outlier: 3.927A pdb=" N MET U 16 " --> pdb=" O GLY U 13 " (cutoff:3.500A) removed outlier: 4.485A pdb=" N ASN U 12 " --> pdb=" O THR U 106 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'U' and resid 34 through 38 Processing sheet with id= 22, first strand: chain 'U' and resid 150 through 155 Processing sheet with id= 23, first strand: chain 'U' and resid 238 through 241 Processing sheet with id= 24, first strand: chain 'a' and resid 51 through 54 removed outlier: 7.664A pdb=" N PHE a 51 " --> pdb=" O ARG a 63 " (cutoff:3.500A) removed outlier: 13.490A pdb=" N ILE a 61 " --> pdb=" O ARG a 3 " (cutoff:3.500A) removed outlier: 10.031A pdb=" N ILE a 5 " --> pdb=" O ILE a 61 " (cutoff:3.500A) removed outlier: 5.716A pdb=" N ARG a 63 " --> pdb=" O ILE a 5 " (cutoff:3.500A) removed outlier: 5.460A pdb=" N GLU a 4 " --> pdb=" O LEU a 132 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N GLY a 134 " --> pdb=" O GLU a 4 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N ILE a 6 " --> pdb=" O GLY a 134 " (cutoff:3.500A) removed outlier: 4.987A pdb=" N SER a 140 " --> pdb=" O LEU a 10 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N LEU a 165 " --> pdb=" O GLU a 133 " (cutoff:3.500A) removed outlier: 3.704A pdb=" N GLN a 167 " --> pdb=" O PHE a 135 " (cutoff:3.500A) removed outlier: 3.920A pdb=" N HIS a 139 " --> pdb=" O TYR a 169 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N CYS a 201 " --> pdb=" O VAL a 166 " (cutoff:3.500A) removed outlier: 3.574A pdb=" N THR a 168 " --> pdb=" O CYS a 201 " (cutoff:3.500A) removed outlier: 6.516A pdb=" N HIS a 267 " --> pdb=" O ASP a 200 " (cutoff:3.500A) removed outlier: 4.922A pdb=" N THR a 271 " --> pdb=" O VAL a 204 " (cutoff:3.500A) removed outlier: 4.958A pdb=" N SER a 374 " --> pdb=" O GLN a 325 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLN a 325 " --> pdb=" O SER a 374 " (cutoff:3.500A) removed outlier: 4.224A pdb=" N ALA a 319 " --> pdb=" O ASN a 380 " (cutoff:3.500A) removed outlier: 4.348A pdb=" N GLY a 326 " --> pdb=" O SER a 361 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'b' and resid 51 through 54 removed outlier: 8.205A pdb=" N PHE b 51 " --> pdb=" O ARG b 63 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ARG b 63 " --> pdb=" O PHE b 51 " (cutoff:3.500A) removed outlier: 13.566A pdb=" N ILE b 61 " --> pdb=" O ARG b 3 " (cutoff:3.500A) removed outlier: 10.018A pdb=" N ILE b 5 " --> pdb=" O ILE b 61 " (cutoff:3.500A) removed outlier: 5.977A pdb=" N ARG b 63 " --> pdb=" O ILE b 5 " (cutoff:3.500A) removed outlier: 5.583A pdb=" N GLU b 4 " --> pdb=" O LEU b 132 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLY b 134 " --> pdb=" O GLU b 4 " (cutoff:3.500A) removed outlier: 4.816A pdb=" N SER b 140 " --> pdb=" O LEU b 10 " (cutoff:3.500A) removed outlier: 4.103A pdb=" N HIS b 139 " --> pdb=" O TYR b 169 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N SER b 170 " --> pdb=" O VAL b 203 " (cutoff:3.500A) removed outlier: 6.329A pdb=" N HIS b 267 " --> pdb=" O ASP b 200 " (cutoff:3.500A) removed outlier: 4.887A pdb=" N THR b 271 " --> pdb=" O VAL b 204 " (cutoff:3.500A) removed outlier: 5.440A pdb=" N SER b 374 " --> pdb=" O GLN b 325 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N GLN b 325 " --> pdb=" O SER b 374 " (cutoff:3.500A) removed outlier: 4.133A pdb=" N ALA b 319 " --> pdb=" O ASN b 380 " (cutoff:3.500A) removed outlier: 4.655A pdb=" N GLY b 326 " --> pdb=" O SER b 361 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'c' and resid 51 through 54 removed outlier: 7.612A pdb=" N PHE c 51 " --> pdb=" O ARG c 63 " (cutoff:3.500A) removed outlier: 13.985A pdb=" N ILE c 61 " --> pdb=" O ARG c 3 " (cutoff:3.500A) removed outlier: 9.879A pdb=" N ILE c 5 " --> pdb=" O ILE c 61 " (cutoff:3.500A) removed outlier: 5.722A pdb=" N ARG c 63 " --> pdb=" O ILE c 5 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N GLN c 9 " --> pdb=" O VAL c 65 " (cutoff:3.500A) removed outlier: 5.703A pdb=" N GLU c 4 " --> pdb=" O LEU c 132 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N GLY c 134 " --> pdb=" O GLU c 4 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N ILE c 6 " --> pdb=" O GLY c 134 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N VAL c 136 " --> pdb=" O ILE c 6 " (cutoff:3.500A) removed outlier: 4.915A pdb=" N SER c 140 " --> pdb=" O LEU c 10 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N LEU c 165 " --> pdb=" O GLU c 133 " (cutoff:3.500A) removed outlier: 4.136A pdb=" N HIS c 139 " --> pdb=" O TYR c 169 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N CYS c 201 " --> pdb=" O VAL c 166 " (cutoff:3.500A) removed outlier: 3.807A pdb=" N THR c 168 " --> pdb=" O CYS c 201 " (cutoff:3.500A) removed outlier: 6.670A pdb=" N HIS c 267 " --> pdb=" O ASP c 200 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N THR c 271 " --> pdb=" O VAL c 204 " (cutoff:3.500A) removed outlier: 5.090A pdb=" N SER c 374 " --> pdb=" O GLN c 325 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLN c 325 " --> pdb=" O SER c 374 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N ALA c 319 " --> pdb=" O ASN c 380 " (cutoff:3.500A) removed outlier: 4.512A pdb=" N GLY c 326 " --> pdb=" O SER c 361 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'd' and resid 51 through 54 removed outlier: 8.205A pdb=" N PHE d 51 " --> pdb=" O ARG d 63 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ARG d 63 " --> pdb=" O PHE d 51 " (cutoff:3.500A) removed outlier: 13.566A pdb=" N ILE d 61 " --> pdb=" O ARG d 3 " (cutoff:3.500A) removed outlier: 10.019A pdb=" N ILE d 5 " --> pdb=" O ILE d 61 " (cutoff:3.500A) removed outlier: 5.976A pdb=" N ARG d 63 " --> pdb=" O ILE d 5 " (cutoff:3.500A) removed outlier: 5.583A pdb=" N GLU d 4 " --> pdb=" O LEU d 132 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLY d 134 " --> pdb=" O GLU d 4 " (cutoff:3.500A) removed outlier: 4.816A pdb=" N SER d 140 " --> pdb=" O LEU d 10 " (cutoff:3.500A) removed outlier: 4.103A pdb=" N HIS d 139 " --> pdb=" O TYR d 169 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N SER d 170 " --> pdb=" O VAL d 203 " (cutoff:3.500A) removed outlier: 6.330A pdb=" N HIS d 267 " --> pdb=" O ASP d 200 " (cutoff:3.500A) removed outlier: 4.887A pdb=" N THR d 271 " --> pdb=" O VAL d 204 " (cutoff:3.500A) removed outlier: 5.440A pdb=" N SER d 374 " --> pdb=" O GLN d 325 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N GLN d 325 " --> pdb=" O SER d 374 " (cutoff:3.500A) removed outlier: 4.134A pdb=" N ALA d 319 " --> pdb=" O ASN d 380 " (cutoff:3.500A) removed outlier: 4.654A pdb=" N GLY d 326 " --> pdb=" O SER d 361 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'e' and resid 51 through 54 removed outlier: 7.664A pdb=" N PHE e 51 " --> pdb=" O ARG e 63 " (cutoff:3.500A) removed outlier: 13.490A pdb=" N ILE e 61 " --> pdb=" O ARG e 3 " (cutoff:3.500A) removed outlier: 10.030A pdb=" N ILE e 5 " --> pdb=" O ILE e 61 " (cutoff:3.500A) removed outlier: 5.715A pdb=" N ARG e 63 " --> pdb=" O ILE e 5 " (cutoff:3.500A) removed outlier: 5.459A pdb=" N GLU e 4 " --> pdb=" O LEU e 132 " (cutoff:3.500A) removed outlier: 3.590A pdb=" N GLY e 134 " --> pdb=" O GLU e 4 " (cutoff:3.500A) removed outlier: 3.705A pdb=" N ILE e 6 " --> pdb=" O GLY e 134 " (cutoff:3.500A) removed outlier: 4.987A pdb=" N SER e 140 " --> pdb=" O LEU e 10 " (cutoff:3.500A) removed outlier: 3.517A pdb=" N LEU e 165 " --> pdb=" O GLU e 133 " (cutoff:3.500A) removed outlier: 3.610A pdb=" N GLN e 167 " --> pdb=" O PHE e 135 " (cutoff:3.500A) removed outlier: 3.920A pdb=" N HIS e 139 " --> pdb=" O TYR e 169 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N CYS e 201 " --> pdb=" O VAL e 166 " (cutoff:3.500A) removed outlier: 3.575A pdb=" N THR e 168 " --> pdb=" O CYS e 201 " (cutoff:3.500A) removed outlier: 6.516A pdb=" N HIS e 267 " --> pdb=" O ASP e 200 " (cutoff:3.500A) removed outlier: 4.921A pdb=" N THR e 271 " --> pdb=" O VAL e 204 " (cutoff:3.500A) removed outlier: 4.958A pdb=" N SER e 374 " --> pdb=" O GLN e 325 " (cutoff:3.500A) removed outlier: 3.711A pdb=" N GLN e 325 " --> pdb=" O SER e 374 " (cutoff:3.500A) removed outlier: 4.224A pdb=" N ALA e 319 " --> pdb=" O ASN e 380 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N GLY e 326 " --> pdb=" O SER e 361 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'f' and resid 51 through 54 removed outlier: 8.204A pdb=" N PHE f 51 " --> pdb=" O ARG f 63 " (cutoff:3.500A) removed outlier: 3.815A pdb=" N ARG f 63 " --> pdb=" O PHE f 51 " (cutoff:3.500A) removed outlier: 13.567A pdb=" N ILE f 61 " --> pdb=" O ARG f 3 " (cutoff:3.500A) removed outlier: 10.019A pdb=" N ILE f 5 " --> pdb=" O ILE f 61 " (cutoff:3.500A) removed outlier: 5.976A pdb=" N ARG f 63 " --> pdb=" O ILE f 5 " (cutoff:3.500A) removed outlier: 5.584A pdb=" N GLU f 4 " --> pdb=" O LEU f 132 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N GLY f 134 " --> pdb=" O GLU f 4 " (cutoff:3.500A) removed outlier: 4.816A pdb=" N SER f 140 " --> pdb=" O LEU f 10 " (cutoff:3.500A) removed outlier: 4.104A pdb=" N HIS f 139 " --> pdb=" O TYR f 169 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N SER f 170 " --> pdb=" O VAL f 203 " (cutoff:3.500A) removed outlier: 6.330A pdb=" N HIS f 267 " --> pdb=" O ASP f 200 " (cutoff:3.500A) removed outlier: 4.887A pdb=" N THR f 271 " --> pdb=" O VAL f 204 " (cutoff:3.500A) removed outlier: 5.440A pdb=" N SER f 374 " --> pdb=" O GLN f 325 " (cutoff:3.500A) removed outlier: 3.763A pdb=" N GLN f 325 " --> pdb=" O SER f 374 " (cutoff:3.500A) removed outlier: 4.133A pdb=" N ALA f 319 " --> pdb=" O ASN f 380 " (cutoff:3.500A) removed outlier: 4.654A pdb=" N GLY f 326 " --> pdb=" O SER f 361 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'g' and resid 51 through 54 removed outlier: 8.066A pdb=" N PHE g 51 " --> pdb=" O ARG g 63 " (cutoff:3.500A) removed outlier: 3.890A pdb=" N ARG g 63 " --> pdb=" O PHE g 51 " (cutoff:3.500A) removed outlier: 14.679A pdb=" N ILE g 61 " --> pdb=" O ARG g 3 " (cutoff:3.500A) removed outlier: 10.286A pdb=" N ILE g 5 " --> pdb=" O ILE g 61 " (cutoff:3.500A) removed outlier: 5.824A pdb=" N ARG g 63 " --> pdb=" O ILE g 5 " (cutoff:3.500A) removed outlier: 4.089A pdb=" N THR g 7 " --> pdb=" O ARG g 63 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N GLN g 9 " --> pdb=" O VAL g 65 " (cutoff:3.500A) removed outlier: 6.152A pdb=" N GLU g 4 " --> pdb=" O LEU g 132 " (cutoff:3.500A) removed outlier: 3.975A pdb=" N GLY g 134 " --> pdb=" O GLU g 4 " (cutoff:3.500A) removed outlier: 4.915A pdb=" N SER g 140 " --> pdb=" O LEU g 10 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N LEU g 165 " --> pdb=" O GLU g 133 " (cutoff:3.500A) removed outlier: 4.136A pdb=" N HIS g 139 " --> pdb=" O TYR g 169 " (cutoff:3.500A) removed outlier: 3.762A pdb=" N CYS g 201 " --> pdb=" O VAL g 166 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N THR g 168 " --> pdb=" O CYS g 201 " (cutoff:3.500A) removed outlier: 6.671A pdb=" N HIS g 267 " --> pdb=" O ASP g 200 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N THR g 271 " --> pdb=" O VAL g 204 " (cutoff:3.500A) removed outlier: 5.089A pdb=" N SER g 374 " --> pdb=" O GLN g 325 " (cutoff:3.500A) removed outlier: 3.928A pdb=" N GLN g 325 " --> pdb=" O SER g 374 " (cutoff:3.500A) removed outlier: 4.114A pdb=" N ALA g 319 " --> pdb=" O ASN g 380 " (cutoff:3.500A) removed outlier: 4.513A pdb=" N GLY g 326 " --> pdb=" O SER g 361 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'h' and resid 51 through 54 removed outlier: 8.206A pdb=" N PHE h 51 " --> pdb=" O ARG h 63 " (cutoff:3.500A) removed outlier: 3.814A pdb=" N ARG h 63 " --> pdb=" O PHE h 51 " (cutoff:3.500A) removed outlier: 13.566A pdb=" N ILE h 61 " --> pdb=" O ARG h 3 " (cutoff:3.500A) removed outlier: 10.019A pdb=" N ILE h 5 " --> pdb=" O ILE h 61 " (cutoff:3.500A) removed outlier: 5.976A pdb=" N ARG h 63 " --> pdb=" O ILE h 5 " (cutoff:3.500A) removed outlier: 5.583A pdb=" N GLU h 4 " --> pdb=" O LEU h 132 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N GLY h 134 " --> pdb=" O GLU h 4 " (cutoff:3.500A) removed outlier: 4.816A pdb=" N SER h 140 " --> pdb=" O LEU h 10 " (cutoff:3.500A) removed outlier: 4.103A pdb=" N HIS h 139 " --> pdb=" O TYR h 169 " (cutoff:3.500A) removed outlier: 3.524A pdb=" N SER h 170 " --> pdb=" O VAL h 203 " (cutoff:3.500A) removed outlier: 6.329A pdb=" N HIS h 267 " --> pdb=" O ASP h 200 " (cutoff:3.500A) removed outlier: 4.887A pdb=" N THR h 271 " --> pdb=" O VAL h 204 " (cutoff:3.500A) removed outlier: 5.401A pdb=" N SER h 374 " --> pdb=" O GLN h 325 " (cutoff:3.500A) removed outlier: 4.133A pdb=" N ALA h 319 " --> pdb=" O ASN h 380 " (cutoff:3.500A) removed outlier: 4.654A pdb=" N GLY h 326 " --> pdb=" O SER h 361 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'i' and resid 51 through 54 removed outlier: 7.701A pdb=" N PHE i 51 " --> pdb=" O ARG i 63 " (cutoff:3.500A) removed outlier: 3.621A pdb=" N ARG i 63 " --> pdb=" O PHE i 51 " (cutoff:3.500A) removed outlier: 14.460A pdb=" N ILE i 61 " --> pdb=" O ARG i 3 " (cutoff:3.500A) removed outlier: 10.216A pdb=" N ILE i 5 " --> pdb=" O ILE i 61 " (cutoff:3.500A) removed outlier: 6.108A pdb=" N ARG i 63 " --> pdb=" O ILE i 5 " (cutoff:3.500A) removed outlier: 5.955A pdb=" N GLU i 4 " --> pdb=" O LEU i 132 " (cutoff:3.500A) removed outlier: 4.151A pdb=" N GLY i 134 " --> pdb=" O GLU i 4 " (cutoff:3.500A) removed outlier: 3.874A pdb=" N ILE i 6 " --> pdb=" O GLY i 134 " (cutoff:3.500A) removed outlier: 5.093A pdb=" N SER i 140 " --> pdb=" O LEU i 10 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N HIS i 139 " --> pdb=" O TYR i 169 " (cutoff:3.500A) removed outlier: 3.922A pdb=" N THR i 168 " --> pdb=" O CYS i 201 " (cutoff:3.500A) removed outlier: 3.644A pdb=" N SER i 170 " --> pdb=" O VAL i 203 " (cutoff:3.500A) removed outlier: 6.550A pdb=" N HIS i 267 " --> pdb=" O ASP i 200 " (cutoff:3.500A) removed outlier: 3.743A pdb=" N LEU i 202 " --> pdb=" O HIS i 267 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N LEU i 269 " --> pdb=" O LEU i 202 " (cutoff:3.500A) removed outlier: 5.002A pdb=" N THR i 271 " --> pdb=" O VAL i 204 " (cutoff:3.500A) removed outlier: 4.958A pdb=" N SER i 374 " --> pdb=" O GLN i 325 " (cutoff:3.500A) removed outlier: 3.670A pdb=" N GLN i 325 " --> pdb=" O SER i 374 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N ALA i 319 " --> pdb=" O ASN i 380 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N GLY i 326 " --> pdb=" O SER i 361 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'j' and resid 51 through 54 removed outlier: 8.511A pdb=" N PHE j 51 " --> pdb=" O ARG j 63 " (cutoff:3.500A) removed outlier: 4.490A pdb=" N ARG j 63 " --> pdb=" O PHE j 51 " (cutoff:3.500A) removed outlier: 15.151A pdb=" N ILE j 61 " --> pdb=" O ARG j 3 " (cutoff:3.500A) removed outlier: 10.709A pdb=" N ILE j 5 " --> pdb=" O ILE j 61 " (cutoff:3.500A) removed outlier: 6.176A pdb=" N ARG j 63 " --> pdb=" O ILE j 5 " (cutoff:3.500A) removed outlier: 5.462A pdb=" N GLU j 4 " --> pdb=" O LEU j 132 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N ILE j 6 " --> pdb=" O GLY j 134 " (cutoff:3.500A) removed outlier: 4.954A pdb=" N SER j 140 " --> pdb=" O LEU j 10 " (cutoff:3.500A) removed outlier: 4.214A pdb=" N HIS j 139 " --> pdb=" O TYR j 169 " (cutoff:3.500A) removed outlier: 3.703A pdb=" N THR j 168 " --> pdb=" O CYS j 201 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N SER j 170 " --> pdb=" O VAL j 203 " (cutoff:3.500A) removed outlier: 6.464A pdb=" N HIS j 267 " --> pdb=" O ASP j 200 " (cutoff:3.500A) removed outlier: 5.097A pdb=" N THR j 271 " --> pdb=" O VAL j 204 " (cutoff:3.500A) removed outlier: 5.806A pdb=" N SER j 374 " --> pdb=" O GLN j 325 " (cutoff:3.500A) removed outlier: 4.158A pdb=" N ALA j 319 " --> pdb=" O ASN j 380 " (cutoff:3.500A) removed outlier: 5.028A pdb=" N GLY j 326 " --> pdb=" O SER j 361 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'm' and resid 51 through 54 removed outlier: 7.611A pdb=" N PHE m 51 " --> pdb=" O ARG m 63 " (cutoff:3.500A) removed outlier: 13.985A pdb=" N ILE m 61 " --> pdb=" O ARG m 3 " (cutoff:3.500A) removed outlier: 9.879A pdb=" N ILE m 5 " --> pdb=" O ILE m 61 " (cutoff:3.500A) removed outlier: 5.722A pdb=" N ARG m 63 " --> pdb=" O ILE m 5 " (cutoff:3.500A) removed outlier: 3.569A pdb=" N GLN m 9 " --> pdb=" O VAL m 65 " (cutoff:3.500A) removed outlier: 5.702A pdb=" N GLU m 4 " --> pdb=" O LEU m 132 " (cutoff:3.500A) removed outlier: 3.886A pdb=" N GLY m 134 " --> pdb=" O GLU m 4 " (cutoff:3.500A) removed outlier: 3.674A pdb=" N ILE m 6 " --> pdb=" O GLY m 134 " (cutoff:3.500A) removed outlier: 3.628A pdb=" N VAL m 136 " --> pdb=" O ILE m 6 " (cutoff:3.500A) removed outlier: 4.915A pdb=" N SER m 140 " --> pdb=" O LEU m 10 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N LEU m 165 " --> pdb=" O GLU m 133 " (cutoff:3.500A) removed outlier: 4.135A pdb=" N HIS m 139 " --> pdb=" O TYR m 169 " (cutoff:3.500A) removed outlier: 3.761A pdb=" N CYS m 201 " --> pdb=" O VAL m 166 " (cutoff:3.500A) removed outlier: 3.808A pdb=" N THR m 168 " --> pdb=" O CYS m 201 " (cutoff:3.500A) removed outlier: 6.670A pdb=" N HIS m 267 " --> pdb=" O ASP m 200 " (cutoff:3.500A) removed outlier: 4.969A pdb=" N THR m 271 " --> pdb=" O VAL m 204 " (cutoff:3.500A) removed outlier: 5.089A pdb=" N SER m 374 " --> pdb=" O GLN m 325 " (cutoff:3.500A) removed outlier: 3.927A pdb=" N GLN m 325 " --> pdb=" O SER m 374 " (cutoff:3.500A) removed outlier: 4.115A pdb=" N ALA m 319 " --> pdb=" O ASN m 380 " (cutoff:3.500A) removed outlier: 4.513A pdb=" N GLY m 326 " --> pdb=" O SER m 361 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'k' and resid 63 through 67 removed outlier: 6.015A pdb=" N ARG k 63 " --> pdb=" O ILE k 5 " (cutoff:3.500A) removed outlier: 6.119A pdb=" N GLU k 4 " --> pdb=" O LEU k 132 " (cutoff:3.500A) removed outlier: 4.002A pdb=" N GLY k 134 " --> pdb=" O GLU k 4 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N ILE k 6 " --> pdb=" O GLY k 134 " (cutoff:3.500A) removed outlier: 5.074A pdb=" N SER k 140 " --> pdb=" O LEU k 10 " (cutoff:3.500A) removed outlier: 3.715A pdb=" N LEU k 165 " --> pdb=" O GLU k 133 " (cutoff:3.500A) removed outlier: 4.441A pdb=" N HIS k 139 " --> pdb=" O TYR k 169 " (cutoff:3.500A) removed outlier: 4.035A pdb=" N CYS k 201 " --> pdb=" O VAL k 166 " (cutoff:3.500A) removed outlier: 3.809A pdb=" N THR k 168 " --> pdb=" O CYS k 201 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'k' and resid 269 through 274 removed outlier: 7.215A pdb=" N GLY k 375 " --> pdb=" O THR k 274 " (cutoff:3.500A) removed outlier: 5.262A pdb=" N SER k 374 " --> pdb=" O GLN k 325 " (cutoff:3.500A) removed outlier: 3.998A pdb=" N GLN k 325 " --> pdb=" O SER k 374 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N ASN k 380 " --> pdb=" O ALA k 319 " (cutoff:3.500A) removed outlier: 4.403A pdb=" N ALA k 319 " --> pdb=" O ASN k 380 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'l' and resid 63 through 67 removed outlier: 5.932A pdb=" N ARG l 63 " --> pdb=" O ILE l 5 " (cutoff:3.500A) removed outlier: 3.535A pdb=" N VAL l 65 " --> pdb=" O THR l 7 " (cutoff:3.500A) removed outlier: 5.706A pdb=" N GLU l 4 " --> pdb=" O LEU l 132 " (cutoff:3.500A) removed outlier: 4.121A pdb=" N GLY l 134 " --> pdb=" O GLU l 4 " (cutoff:3.500A) removed outlier: 4.159A pdb=" N ILE l 6 " --> pdb=" O GLY l 134 " (cutoff:3.500A) removed outlier: 4.985A pdb=" N SER l 140 " --> pdb=" O LEU l 10 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N LEU l 165 " --> pdb=" O GLU l 133 " (cutoff:3.500A) removed outlier: 4.245A pdb=" N HIS l 139 " --> pdb=" O TYR l 169 " (cutoff:3.500A) removed outlier: 3.507A pdb=" N VAL l 171 " --> pdb=" O HIS l 139 " (cutoff:3.500A) removed outlier: 3.834A pdb=" N CYS l 201 " --> pdb=" O VAL l 166 " (cutoff:3.500A) removed outlier: 4.029A pdb=" N THR l 168 " --> pdb=" O CYS l 201 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N SER l 170 " --> pdb=" O VAL l 203 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'l' and resid 269 through 274 removed outlier: 7.102A pdb=" N GLY l 375 " --> pdb=" O THR l 274 " (cutoff:3.500A) removed outlier: 5.973A pdb=" N SER l 374 " --> pdb=" O GLN l 325 " (cutoff:3.500A) removed outlier: 3.636A pdb=" N GLN l 325 " --> pdb=" O SER l 374 " (cutoff:3.500A) removed outlier: 4.538A pdb=" N ALA l 319 " --> pdb=" O ASN l 380 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 't' and resid 63 through 67 removed outlier: 5.877A pdb=" N ARG t 63 " --> pdb=" O ILE t 5 " (cutoff:3.500A) removed outlier: 5.288A pdb=" N GLU t 4 " --> pdb=" O LEU t 132 " (cutoff:3.500A) removed outlier: 4.035A pdb=" N GLY t 134 " --> pdb=" O GLU t 4 " (cutoff:3.500A) removed outlier: 3.673A pdb=" N ILE t 6 " --> pdb=" O GLY t 134 " (cutoff:3.500A) removed outlier: 4.871A pdb=" N SER t 140 " --> pdb=" O LEU t 10 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N LEU t 165 " --> pdb=" O GLU t 133 " (cutoff:3.500A) removed outlier: 3.627A pdb=" N GLN t 167 " --> pdb=" O PHE t 135 " (cutoff:3.500A) removed outlier: 4.028A pdb=" N HIS t 139 " --> pdb=" O TYR t 169 " (cutoff:3.500A) removed outlier: 3.697A pdb=" N THR t 168 " --> pdb=" O CYS t 201 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 't' and resid 269 through 274 removed outlier: 3.719A pdb=" N THR t 274 " --> pdb=" O GLY t 375 " (cutoff:3.500A) removed outlier: 7.386A pdb=" N GLY t 375 " --> pdb=" O THR t 274 " (cutoff:3.500A) removed outlier: 5.435A pdb=" N SER t 374 " --> pdb=" O GLN t 325 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN t 325 " --> pdb=" O SER t 374 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N ALA t 319 " --> pdb=" O ASN t 380 " (cutoff:3.500A) 5112 hydrogen bonds defined for protein. 15296 hydrogen bond angles defined for protein. Restraints generated for nucleic acids: 0 hydrogen bonds 0 hydrogen bond angles 0 basepair planarities 0 basepair parallelities 0 stacking parallelities Total time for adding SS restraints: 35.39 Time building geometry restraints manager: 32.57 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.21 - 1.33: 28672 1.33 - 1.45: 18928 1.45 - 1.57: 59781 1.57 - 1.69: 45 1.69 - 1.82: 821 Bond restraints: 108247 Sorted by residual: bond pdb=" C4 ADP U 800 " pdb=" C5 ADP U 800 " ideal model delta sigma weight residual 1.490 1.383 0.107 2.00e-02 2.50e+03 2.86e+01 bond pdb=" C5 ADP U 800 " pdb=" C6 ADP U 800 " ideal model delta sigma weight residual 1.490 1.406 0.084 2.00e-02 2.50e+03 1.76e+01 bond pdb=" N ILE C 423 " pdb=" CA ILE C 423 " ideal model delta sigma weight residual 1.458 1.494 -0.037 9.00e-03 1.23e+04 1.65e+01 bond pdb=" N VAL J 805 " pdb=" CA VAL J 805 " ideal model delta sigma weight residual 1.457 1.493 -0.036 9.00e-03 1.23e+04 1.62e+01 bond pdb=" N GLY a 247 " pdb=" CA GLY a 247 " ideal model delta sigma weight residual 1.443 1.475 -0.032 8.60e-03 1.35e+04 1.41e+01 ... (remaining 108242 not shown) Histogram of bond angle deviations from ideal: 99.34 - 106.72: 2549 106.72 - 114.09: 63485 114.09 - 121.47: 56228 121.47 - 128.84: 23582 128.84 - 136.22: 775 Bond angle restraints: 146619 Sorted by residual: angle pdb=" N VAL U 163 " pdb=" CA VAL U 163 " pdb=" C VAL U 163 " ideal model delta sigma weight residual 108.15 115.72 -7.57 9.90e-01 1.02e+00 5.85e+01 angle pdb=" C GLY U 366 " pdb=" N PRO U 367 " pdb=" CA PRO U 367 " ideal model delta sigma weight residual 119.32 126.27 -6.95 1.14e+00 7.69e-01 3.72e+01 angle pdb=" N LYS B 375 " pdb=" CA LYS B 375 " pdb=" C LYS B 375 " ideal model delta sigma weight residual 113.38 106.02 7.36 1.23e+00 6.61e-01 3.58e+01 angle pdb=" N LYS F 375 " pdb=" CA LYS F 375 " pdb=" C LYS F 375 " ideal model delta sigma weight residual 113.38 106.05 7.33 1.23e+00 6.61e-01 3.56e+01 angle pdb=" C TYR H 256 " pdb=" CA TYR H 256 " pdb=" CB TYR H 256 " ideal model delta sigma weight residual 109.03 117.84 -8.81 1.62e+00 3.81e-01 2.96e+01 ... (remaining 146614 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 30.17: 62919 30.17 - 60.33: 1729 60.33 - 90.50: 110 90.50 - 120.66: 8 120.66 - 150.83: 3 Dihedral angle restraints: 64769 sinusoidal: 24097 harmonic: 40672 Sorted by residual: dihedral pdb=" O2A ADP U 800 " pdb=" O3A ADP U 800 " pdb=" PA ADP U 800 " pdb=" PB ADP U 800 " ideal model delta sinusoidal sigma weight residual -60.00 90.83 -150.83 1 2.00e+01 2.50e-03 4.50e+01 dihedral pdb=" O2B GDP j 501 " pdb=" O3A GDP j 501 " pdb=" PB GDP j 501 " pdb=" PA GDP j 501 " ideal model delta sinusoidal sigma weight residual 180.00 58.04 121.96 1 2.00e+01 2.50e-03 3.67e+01 dihedral pdb=" O2B GDP i 501 " pdb=" O3A GDP i 501 " pdb=" PB GDP i 501 " pdb=" PA GDP i 501 " ideal model delta sinusoidal sigma weight residual 180.00 59.21 120.79 1 2.00e+01 2.50e-03 3.63e+01 ... (remaining 64766 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.073: 15113 0.073 - 0.145: 1652 0.145 - 0.218: 233 0.218 - 0.290: 28 0.290 - 0.363: 3 Chirality restraints: 17029 Sorted by residual: chirality pdb=" CA ILE U 357 " pdb=" N ILE U 357 " pdb=" C ILE U 357 " pdb=" CB ILE U 357 " both_signs ideal model delta sigma weight residual False 2.43 2.80 -0.36 2.00e-01 2.50e+01 3.29e+00 chirality pdb=" CA PRO U 70 " pdb=" N PRO U 70 " pdb=" C PRO U 70 " pdb=" CB PRO U 70 " both_signs ideal model delta sigma weight residual False 2.72 2.40 0.32 2.00e-01 2.50e+01 2.61e+00 chirality pdb=" CA ASP I 127 " pdb=" N ASP I 127 " pdb=" C ASP I 127 " pdb=" CB ASP I 127 " both_signs ideal model delta sigma weight residual False 2.51 2.19 0.32 2.00e-01 2.50e+01 2.53e+00 ... (remaining 17026 not shown) Planarity restraints: 18609 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CA LEU G 334 " 0.015 2.00e-02 2.50e+03 3.09e-02 9.53e+00 pdb=" C LEU G 334 " -0.053 2.00e-02 2.50e+03 pdb=" O LEU G 334 " 0.020 2.00e-02 2.50e+03 pdb=" N VAL G 335 " 0.018 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" C LEU C 292 " -0.045 5.00e-02 4.00e+02 6.76e-02 7.32e+00 pdb=" N PRO C 293 " 0.117 5.00e-02 4.00e+02 pdb=" CA PRO C 293 " -0.034 5.00e-02 4.00e+02 pdb=" CD PRO C 293 " -0.038 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C LEU G 292 " -0.045 5.00e-02 4.00e+02 6.76e-02 7.30e+00 pdb=" N PRO G 293 " 0.117 5.00e-02 4.00e+02 pdb=" CA PRO G 293 " -0.034 5.00e-02 4.00e+02 pdb=" CD PRO G 293 " -0.038 5.00e-02 4.00e+02 ... (remaining 18606 not shown) Histogram of nonbonded interaction distances: 2.10 - 2.66: 1624 2.66 - 3.22: 105705 3.22 - 3.78: 150870 3.78 - 4.34: 210629 4.34 - 4.90: 328776 Nonbonded interactions: 797604 Sorted by model distance: nonbonded pdb=" NE2 GLN g 54 " pdb=" OH TYR g 60 " model vdw 2.102 2.520 nonbonded pdb=" O TYR I 480 " pdb=" OG SER I 483 " model vdw 2.196 2.440 nonbonded pdb=" ND1 HIS E 318 " pdb=" O THR F 406 " model vdw 2.199 2.520 nonbonded pdb=" O VAL m 73 " pdb=" OG SER m 76 " model vdw 2.201 2.440 nonbonded pdb=" O VAL c 73 " pdb=" OG SER c 76 " model vdw 2.202 2.440 ... (remaining 797599 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = chain 'A' selection = chain 'C' selection = chain 'E' selection = chain 'G' selection = chain 'M' } ncs_group { reference = (chain 'B' and ((resid 245 through 259 and (name N or name CA or name C or name \ O or name CB )) or resid 260 or (resid 261 through 297 and (name N or name CA or \ name C or name O or name CB )) or resid 298 or (resid 299 through 317 and (name \ N or name CA or name C or name O or name CB )) or resid 318 or (resid 319 throu \ gh 320 and (name N or name CA or name C or name O or name CB )) or resid 321 or \ (resid 322 through 389 and (name N or name CA or name C or name O or name CB )) \ or resid 390 or (resid 391 through 392 and (name N or name CA or name C or name \ O or name CB )) or resid 393 through 394 or (resid 395 through 406 and (name N o \ r name CA or name C or name O or name CB )) or resid 407 or (resid 408 through 4 \ 36 and (name N or name CA or name C or name O or name CB )) or resid 437 or (res \ id 438 through 486 and (name N or name CA or name C or name O or name CB )) or r \ esid 487 or (resid 488 through 531 and (name N or name CA or name C or name O or \ name CB )) or resid 532 or (resid 533 through 568 and (name N or name CA or nam \ e C or name O or name CB )) or resid 569 or (resid 570 and (name N or name CA or \ name C or name O or name CB )) or resid 571 or (resid 572 through 598 and (name \ N or name CA or name C or name O or name CB )) or resid 599 or (resid 600 throu \ gh 633 and (name N or name CA or name C or name O or name CB )) or resid 634 or \ (resid 635 through 645 and (name N or name CA or name C or name O or name CB )) \ or resid 646 or (resid 647 through 682 and (name N or name CA or name C or name \ O or name CB )) or resid 683 or (resid 684 through 698 and (name N or name CA or \ name C or name O or name CB )) or resid 699 or (resid 700 through 833 and (name \ N or name CA or name C or name O or name CB )) or resid 834 or (resid 835 throu \ gh 855 and (name N or name CA or name C or name O or name CB )) or resid 856 or \ (resid 857 through 888 and (name N or name CA or name C or name O or name CB ))) \ ) selection = (chain 'D' and ((resid 245 through 259 and (name N or name CA or name C or name \ O or name CB )) or resid 260 or (resid 261 through 297 and (name N or name CA or \ name C or name O or name CB )) or resid 298 or (resid 299 through 317 and (name \ N or name CA or name C or name O or name CB )) or resid 318 or (resid 319 throu \ gh 320 and (name N or name CA or name C or name O or name CB )) or resid 321 or \ (resid 322 through 389 and (name N or name CA or name C or name O or name CB )) \ or resid 390 or (resid 391 through 392 and (name N or name CA or name C or name \ O or name CB )) or resid 393 through 394 or (resid 395 through 406 and (name N o \ r name CA or name C or name O or name CB )) or resid 407 or (resid 408 through 4 \ 36 and (name N or name CA or name C or name O or name CB )) or resid 437 or (res \ id 438 through 486 and (name N or name CA or name C or name O or name CB )) or r \ esid 487 or (resid 488 through 531 and (name N or name CA or name C or name O or \ name CB )) or resid 532 or (resid 533 through 568 and (name N or name CA or nam \ e C or name O or name CB )) or resid 569 or (resid 570 and (name N or name CA or \ name C or name O or name CB )) or resid 571 or (resid 572 through 598 and (name \ N or name CA or name C or name O or name CB )) or resid 599 or (resid 600 throu \ gh 633 and (name N or name CA or name C or name O or name CB )) or resid 634 or \ (resid 635 through 645 and (name N or name CA or name C or name O or name CB )) \ or resid 646 or (resid 647 through 682 and (name N or name CA or name C or name \ O or name CB )) or resid 683 or (resid 684 through 698 and (name N or name CA or \ name C or name O or name CB )) or resid 699 or (resid 700 through 833 and (name \ N or name CA or name C or name O or name CB )) or resid 834 or (resid 835 throu \ gh 855 and (name N or name CA or name C or name O or name CB )) or resid 856 or \ (resid 857 through 888 and (name N or name CA or name C or name O or name CB ))) \ ) selection = (chain 'F' and ((resid 245 through 259 and (name N or name CA or name C or name \ O or name CB )) or resid 260 or (resid 261 through 297 and (name N or name CA or \ name C or name O or name CB )) or resid 298 or (resid 299 through 317 and (name \ N or name CA or name C or name O or name CB )) or resid 318 or (resid 319 throu \ gh 320 and (name N or name CA or name C or name O or name CB )) or resid 321 or \ (resid 322 through 389 and (name N or name CA or name C or name O or name CB )) \ or resid 390 or (resid 391 through 392 and (name N or name CA or name C or name \ O or name CB )) or resid 393 through 394 or (resid 395 through 406 and (name N o \ r name CA or name C or name O or name CB )) or resid 407 or (resid 408 through 4 \ 36 and (name N or name CA or name C or name O or name CB )) or resid 437 or (res \ id 438 through 486 and (name N or name CA or name C or name O or name CB )) or r \ esid 487 or (resid 488 through 531 and (name N or name CA or name C or name O or \ name CB )) or resid 532 or (resid 533 through 568 and (name N or name CA or nam \ e C or name O or name CB )) or resid 569 or (resid 570 and (name N or name CA or \ name C or name O or name CB )) or resid 571 or (resid 572 through 598 and (name \ N or name CA or name C or name O or name CB )) or resid 599 or (resid 600 throu \ gh 633 and (name N or name CA or name C or name O or name CB )) or resid 634 or \ (resid 635 through 645 and (name N or name CA or name C or name O or name CB )) \ or resid 646 or (resid 647 through 682 and (name N or name CA or name C or name \ O or name CB )) or resid 683 or (resid 684 through 698 and (name N or name CA or \ name C or name O or name CB )) or resid 699 or (resid 700 through 833 and (name \ N or name CA or name C or name O or name CB )) or resid 834 or (resid 835 throu \ gh 855 and (name N or name CA or name C or name O or name CB )) or resid 856 or \ (resid 857 through 888 and (name N or name CA or name C or name O or name CB ))) \ ) selection = (chain 'H' and ((resid 245 through 259 and (name N or name CA or name C or name \ O or name CB )) or resid 260 or (resid 261 through 297 and (name N or name CA or \ name C or name O or name CB )) or resid 298 or (resid 299 through 317 and (name \ N or name CA or name C or name O or name CB )) or resid 318 or (resid 319 throu \ gh 320 and (name N or name CA or name C or name O or name CB )) or resid 321 or \ (resid 322 through 389 and (name N or name CA or name C or name O or name CB )) \ or resid 390 or (resid 391 through 392 and (name N or name CA or name C or name \ O or name CB )) or resid 393 through 394 or (resid 395 through 406 and (name N o \ r name CA or name C or name O or name CB )) or resid 407 or (resid 408 through 4 \ 36 and (name N or name CA or name C or name O or name CB )) or resid 437 or (res \ id 438 through 486 and (name N or name CA or name C or name O or name CB )) or r \ esid 487 or (resid 488 through 531 and (name N or name CA or name C or name O or \ name CB )) or resid 532 or (resid 533 through 568 and (name N or name CA or nam \ e C or name O or name CB )) or resid 569 or (resid 570 and (name N or name CA or \ name C or name O or name CB )) or resid 571 or (resid 572 through 598 and (name \ N or name CA or name C or name O or name CB )) or resid 599 or (resid 600 throu \ gh 633 and (name N or name CA or name C or name O or name CB )) or resid 634 or \ (resid 635 through 645 and (name N or name CA or name C or name O or name CB )) \ or resid 646 or (resid 647 through 682 and (name N or name CA or name C or name \ O or name CB )) or resid 683 or (resid 684 through 698 and (name N or name CA or \ name C or name O or name CB )) or resid 699 or (resid 700 through 833 and (name \ N or name CA or name C or name O or name CB )) or resid 834 or (resid 835 throu \ gh 855 and (name N or name CA or name C or name O or name CB )) or resid 856 or \ (resid 857 through 888 and (name N or name CA or name C or name O or name CB ))) \ ) selection = chain 'T' } ncs_group { reference = (chain 'I' and (resid 1 through 366 or resid 368 through 471 or resid 473 throug \ h 656)) selection = (chain 'K' and (resid 1 through 366 or resid 368 through 471 or resid 473 throug \ h 656)) } ncs_group { reference = chain 'N' selection = (chain 'O' and resid 6 through 41) selection = (chain 'Q' and resid 4 through 40) selection = (chain 'R' and resid 5 through 41) selection = (chain 'S' and resid 6 through 41) } ncs_group { reference = (chain 'V' and resid 6 through 131) selection = chain 'Y' } ncs_group { reference = (chain 'a' and ((resid 3 through 10 and (name N or name CA or name C or name O o \ r name CB )) or resid 11 or (resid 12 through 13 and (name N or name CA or name \ C or name O or name CB )) or resid 14 or (resid 15 through 17 and (name N or nam \ e CA or name C or name O or name CB )) or resid 18 or (resid 19 through 29 and ( \ name N or name CA or name C or name O or name CB )) or resid 30 or (resid 31 thr \ ough 86 and (name N or name CA or name C or name O or name CB )) or resid 101 or \ (resid 102 through 106 and (name N or name CA or name C or name O or name CB )) \ or resid 107 or (resid 108 through 110 and (name N or name CA or name C or name \ O or name CB )) or resid 111 or (resid 112 through 127 and (name N or name CA o \ r name C or name O or name CB )) or resid 128 or (resid 129 through 133 and (nam \ e N or name CA or name C or name O or name CB )) or resid 134 or (resid 135 thro \ ugh 142 and (name N or name CA or name C or name O or name CB )) or resid 144 or \ (resid 145 and (name N or name CA or name C or name O or name CB )) or resid 14 \ 6 or (resid 147 and (name N or name CA or name C or name O or name CB )) or resi \ d 148 or (resid 149 and (name N or name CA or name C or name O or name CB )) or \ resid 150 or (resid 151 through 246 and (name N or name CA or name C or name O o \ r name CB )) or resid 247 or (resid 248 through 254 and (name N or name CA or na \ me C or name O or name CB )) or resid 255 or (resid 256 through 271 and (name N \ or name CA or name C or name O or name CB )) or resid 272 or (resid 273 through \ 325 and (name N or name CA or name C or name O or name CB )) or resid 326 or (re \ sid 327 through 351 and (name N or name CA or name C or name O or name CB )) or \ resid 352 or (resid 353 through 374 and (name N or name CA or name C or name O o \ r name CB )) or resid 375 or (resid 376 through 445 and (name N or name CA or na \ me C or name O or name CB )) or resid 501)) selection = (chain 'b' and ((resid 3 through 10 and (name N or name CA or name C or name O o \ r name CB )) or resid 11 or (resid 12 through 13 and (name N or name CA or name \ C or name O or name CB )) or resid 14 or (resid 15 through 17 and (name N or nam \ e CA or name C or name O or name CB )) or resid 18 or (resid 19 through 29 and ( \ name N or name CA or name C or name O or name CB )) or resid 30 or (resid 31 thr \ ough 86 and (name N or name CA or name C or name O or name CB )) or resid 101 or \ (resid 102 through 106 and (name N or name CA or name C or name O or name CB )) \ or resid 107 or (resid 108 through 110 and (name N or name CA or name C or name \ O or name CB )) or resid 111 or (resid 112 through 127 and (name N or name CA o \ r name C or name O or name CB )) or resid 128 or (resid 129 through 133 and (nam \ e N or name CA or name C or name O or name CB )) or resid 134 or (resid 135 thro \ ugh 142 and (name N or name CA or name C or name O or name CB )) or resid 144 or \ (resid 145 and (name N or name CA or name C or name O or name CB )) or resid 14 \ 6 or (resid 147 and (name N or name CA or name C or name O or name CB )) or resi \ d 148 or (resid 149 and (name N or name CA or name C or name O or name CB )) or \ resid 150 or (resid 151 through 246 and (name N or name CA or name C or name O o \ r name CB )) or resid 247 or (resid 248 through 254 and (name N or name CA or na \ me C or name O or name CB )) or resid 255 or (resid 256 through 271 and (name N \ or name CA or name C or name O or name CB )) or resid 272 or (resid 273 through \ 325 and (name N or name CA or name C or name O or name CB )) or resid 326 or (re \ sid 327 through 351 and (name N or name CA or name C or name O or name CB )) or \ resid 352 or (resid 353 through 374 and (name N or name CA or name C or name O o \ r name CB )) or resid 375 or (resid 376 through 445 and (name N or name CA or na \ me C or name O or name CB )) or resid 501)) selection = (chain 'c' and ((resid 3 through 10 and (name N or name CA or name C or name O o \ r name CB )) or resid 11 or (resid 12 through 13 and (name N or name CA or name \ C or name O or name CB )) or resid 14 or (resid 15 through 17 and (name N or nam \ e CA or name C or name O or name CB )) or resid 18 or (resid 19 through 29 and ( \ name N or name CA or name C or name O or name CB )) or resid 30 or (resid 31 thr \ ough 86 and (name N or name CA or name C or name O or name CB )) or resid 101 or \ (resid 102 through 106 and (name N or name CA or name C or name O or name CB )) \ or resid 107 or (resid 108 through 110 and (name N or name CA or name C or name \ O or name CB )) or resid 111 or (resid 112 through 127 and (name N or name CA o \ r name C or name O or name CB )) or resid 128 or (resid 129 through 133 and (nam \ e N or name CA or name C or name O or name CB )) or resid 134 or (resid 135 thro \ ugh 142 and (name N or name CA or name C or name O or name CB )) or resid 144 or \ (resid 145 and (name N or name CA or name C or name O or name CB )) or resid 14 \ 6 or (resid 147 and (name N or name CA or name C or name O or name CB )) or resi \ d 148 or (resid 149 and (name N or name CA or name C or name O or name CB )) or \ resid 150 or (resid 151 through 246 and (name N or name CA or name C or name O o \ r name CB )) or resid 247 or (resid 248 through 254 and (name N or name CA or na \ me C or name O or name CB )) or resid 255 or (resid 256 through 271 and (name N \ or name CA or name C or name O or name CB )) or resid 272 or (resid 273 through \ 325 and (name N or name CA or name C or name O or name CB )) or resid 326 or (re \ sid 327 through 351 and (name N or name CA or name C or name O or name CB )) or \ resid 352 or (resid 353 through 374 and (name N or name CA or name C or name O o \ r name CB )) or resid 375 or (resid 376 through 445 and (name N or name CA or na \ me C or name O or name CB )) or resid 501)) selection = (chain 'd' and ((resid 3 through 10 and (name N or name CA or name C or name O o \ r name CB )) or resid 11 or (resid 12 through 13 and (name N or name CA or name \ C or name O or name CB )) or resid 14 or (resid 15 through 17 and (name N or nam \ e CA or name C or name O or name CB )) or resid 18 or (resid 19 through 29 and ( \ name N or name CA or name C or name O or name CB )) or resid 30 or (resid 31 thr \ ough 86 and (name N or name CA or name C or name O or name CB )) or resid 101 or \ (resid 102 through 106 and (name N or name CA or name C or name O or name CB )) \ or resid 107 or (resid 108 through 110 and (name N or name CA or name C or name \ O or name CB )) or resid 111 or (resid 112 through 127 and (name N or name CA o \ r name C or name O or name CB )) or resid 128 or (resid 129 through 133 and (nam \ e N or name CA or name C or name O or name CB )) or resid 134 or (resid 135 thro \ ugh 142 and (name N or name CA or name C or name O or name CB )) or resid 144 or \ (resid 145 and (name N or name CA or name C or name O or name CB )) or resid 14 \ 6 or (resid 147 and (name N or name CA or name C or name O or name CB )) or resi \ d 148 or (resid 149 and (name N or name CA or name C or name O or name CB )) or \ resid 150 or (resid 151 through 246 and (name N or name CA or name C or name O o \ r name CB )) or resid 247 or (resid 248 through 254 and (name N or name CA or na \ me C or name O or name CB )) or resid 255 or (resid 256 through 271 and (name N \ or name CA or name C or name O or name CB )) or resid 272 or (resid 273 through \ 325 and (name N or name CA or name C or name O or name CB )) or resid 326 or (re \ sid 327 through 351 and (name N or name CA or name C or name O or name CB )) or \ resid 352 or (resid 353 through 374 and (name N or name CA or name C or name O o \ r name CB )) or resid 375 or (resid 376 through 445 and (name N or name CA or na \ me C or name O or name CB )) or resid 501)) selection = (chain 'e' and ((resid 3 through 10 and (name N or name CA or name C or name O o \ r name CB )) or resid 11 or (resid 12 through 13 and (name N or name CA or name \ C or name O or name CB )) or resid 14 or (resid 15 through 17 and (name N or nam \ e CA or name C or name O or name CB )) or resid 18 or (resid 19 through 29 and ( \ name N or name CA or name C or name O or name CB )) or resid 30 or (resid 31 thr \ ough 86 and (name N or name CA or name C or name O or name CB )) or resid 101 or \ (resid 102 through 106 and (name N or name CA or name C or name O or name CB )) \ or resid 107 or (resid 108 through 110 and (name N or name CA or name C or name \ O or name CB )) or resid 111 or (resid 112 through 127 and (name N or name CA o \ r name C or name O or name CB )) or resid 128 or (resid 129 through 133 and (nam \ e N or name CA or name C or name O or name CB )) or resid 134 or (resid 135 thro \ ugh 142 and (name N or name CA or name C or name O or name CB )) or resid 144 or \ (resid 145 and (name N or name CA or name C or name O or name CB )) or resid 14 \ 6 or (resid 147 and (name N or name CA or name C or name O or name CB )) or resi \ d 148 or (resid 149 and (name N or name CA or name C or name O or name CB )) or \ resid 150 or (resid 151 through 246 and (name N or name CA or name C or name O o \ r name CB )) or resid 247 or (resid 248 through 254 and (name N or name CA or na \ me C or name O or name CB )) or resid 255 or (resid 256 through 271 and (name N \ or name CA or name C or name O or name CB )) or resid 272 or (resid 273 through \ 325 and (name N or name CA or name C or name O or name CB )) or resid 326 or (re \ sid 327 through 351 and (name N or name CA or name C or name O or name CB )) or \ resid 352 or (resid 353 through 374 and (name N or name CA or name C or name O o \ r name CB )) or resid 375 or (resid 376 through 445 and (name N or name CA or na \ me C or name O or name CB )) or resid 501)) selection = (chain 'f' and ((resid 3 through 10 and (name N or name CA or name C or name O o \ r name CB )) or resid 11 or (resid 12 through 13 and (name N or name CA or name \ C or name O or name CB )) or resid 14 or (resid 15 through 17 and (name N or nam \ e CA or name C or name O or name CB )) or resid 18 or (resid 19 through 29 and ( \ name N or name CA or name C or name O or name CB )) or resid 30 or (resid 31 thr \ ough 86 and (name N or name CA or name C or name O or name CB )) or resid 101 or \ (resid 102 through 106 and (name N or name CA or name C or name O or name CB )) \ or resid 107 or (resid 108 through 110 and (name N or name CA or name C or name \ O or name CB )) or resid 111 or (resid 112 through 127 and (name N or name CA o \ r name C or name O or name CB )) or resid 128 or (resid 129 through 133 and (nam \ e N or name CA or name C or name O or name CB )) or resid 134 or (resid 135 thro \ ugh 142 and (name N or name CA or name C or name O or name CB )) or resid 144 or \ (resid 145 and (name N or name CA or name C or name O or name CB )) or resid 14 \ 6 or (resid 147 and (name N or name CA or name C or name O or name CB )) or resi \ d 148 or (resid 149 and (name N or name CA or name C or name O or name CB )) or \ resid 150 or (resid 151 through 246 and (name N or name CA or name C or name O o \ r name CB )) or resid 247 or (resid 248 through 254 and (name N or name CA or na \ me C or name O or name CB )) or resid 255 or (resid 256 through 271 and (name N \ or name CA or name C or name O or name CB )) or resid 272 or (resid 273 through \ 325 and (name N or name CA or name C or name O or name CB )) or resid 326 or (re \ sid 327 through 351 and (name N or name CA or name C or name O or name CB )) or \ resid 352 or (resid 353 through 374 and (name N or name CA or name C or name O o \ r name CB )) or resid 375 or (resid 376 through 445 and (name N or name CA or na \ me C or name O or name CB )) or resid 501)) selection = (chain 'g' and ((resid 3 through 10 and (name N or name CA or name C or name O o \ r name CB )) or resid 11 or (resid 12 through 13 and (name N or name CA or name \ C or name O or name CB )) or resid 14 or (resid 15 through 17 and (name N or nam \ e CA or name C or name O or name CB )) or resid 18 or (resid 19 through 29 and ( \ name N or name CA or name C or name O or name CB )) or resid 30 or (resid 31 thr \ ough 86 and (name N or name CA or name C or name O or name CB )) or resid 101 or \ (resid 102 through 106 and (name N or name CA or name C or name O or name CB )) \ or resid 107 or (resid 108 through 110 and (name N or name CA or name C or name \ O or name CB )) or resid 111 or (resid 112 through 127 and (name N or name CA o \ r name C or name O or name CB )) or resid 128 or (resid 129 through 133 and (nam \ e N or name CA or name C or name O or name CB )) or resid 134 or (resid 135 thro \ ugh 142 and (name N or name CA or name C or name O or name CB )) or resid 144 or \ (resid 145 and (name N or name CA or name C or name O or name CB )) or resid 14 \ 6 or (resid 147 and (name N or name CA or name C or name O or name CB )) or resi \ d 148 or (resid 149 and (name N or name CA or name C or name O or name CB )) or \ resid 150 or (resid 151 through 246 and (name N or name CA or name C or name O o \ r name CB )) or resid 247 or (resid 248 through 254 and (name N or name CA or na \ me C or name O or name CB )) or resid 255 or (resid 256 through 271 and (name N \ or name CA or name C or name O or name CB )) or resid 272 or (resid 273 through \ 325 and (name N or name CA or name C or name O or name CB )) or resid 326 or (re \ sid 327 through 351 and (name N or name CA or name C or name O or name CB )) or \ resid 352 or (resid 353 through 374 and (name N or name CA or name C or name O o \ r name CB )) or resid 375 or (resid 376 through 445 and (name N or name CA or na \ me C or name O or name CB )) or resid 501)) selection = (chain 'h' and ((resid 3 through 10 and (name N or name CA or name C or name O o \ r name CB )) or resid 11 or (resid 12 through 13 and (name N or name CA or name \ C or name O or name CB )) or resid 14 or (resid 15 through 17 and (name N or nam \ e CA or name C or name O or name CB )) or resid 18 or (resid 19 through 29 and ( \ name N or name CA or name C or name O or name CB )) or resid 30 or (resid 31 thr \ ough 86 and (name N or name CA or name C or name O or name CB )) or resid 101 or \ (resid 102 through 106 and (name N or name CA or name C or name O or name CB )) \ or resid 107 or (resid 108 through 110 and (name N or name CA or name C or name \ O or name CB )) or resid 111 or (resid 112 through 127 and (name N or name CA o \ r name C or name O or name CB )) or resid 128 or (resid 129 through 133 and (nam \ e N or name CA or name C or name O or name CB )) or resid 134 or (resid 135 thro \ ugh 142 and (name N or name CA or name C or name O or name CB )) or resid 144 or \ (resid 145 and (name N or name CA or name C or name O or name CB )) or resid 14 \ 6 or (resid 147 and (name N or name CA or name C or name O or name CB )) or resi \ d 148 or (resid 149 and (name N or name CA or name C or name O or name CB )) or \ resid 150 or (resid 151 through 246 and (name N or name CA or name C or name O o \ r name CB )) or resid 247 or (resid 248 through 254 and (name N or name CA or na \ me C or name O or name CB )) or resid 255 or (resid 256 through 271 and (name N \ or name CA or name C or name O or name CB )) or resid 272 or (resid 273 through \ 325 and (name N or name CA or name C or name O or name CB )) or resid 326 or (re \ sid 327 through 351 and (name N or name CA or name C or name O or name CB )) or \ resid 352 or (resid 353 through 374 and (name N or name CA or name C or name O o \ r name CB )) or resid 375 or (resid 376 through 445 and (name N or name CA or na \ me C or name O or name CB )) or resid 501)) selection = (chain 'i' and ((resid 3 through 10 and (name N or name CA or name C or name O o \ r name CB )) or resid 11 or (resid 12 through 13 and (name N or name CA or name \ C or name O or name CB )) or resid 14 or (resid 15 through 17 and (name N or nam \ e CA or name C or name O or name CB )) or resid 18 or (resid 19 through 29 and ( \ name N or name CA or name C or name O or name CB )) or resid 30 or (resid 31 thr \ ough 86 and (name N or name CA or name C or name O or name CB )) or resid 101 or \ (resid 102 through 106 and (name N or name CA or name C or name O or name CB )) \ or resid 107 or (resid 108 through 110 and (name N or name CA or name C or name \ O or name CB )) or resid 111 or (resid 112 through 127 and (name N or name CA o \ r name C or name O or name CB )) or resid 128 or (resid 129 through 133 and (nam \ e N or name CA or name C or name O or name CB )) or resid 134 or (resid 135 thro \ ugh 142 and (name N or name CA or name C or name O or name CB )) or resid 144 or \ (resid 145 and (name N or name CA or name C or name O or name CB )) or resid 14 \ 6 or (resid 147 and (name N or name CA or name C or name O or name CB )) or resi \ d 148 or (resid 149 and (name N or name CA or name C or name O or name CB )) or \ resid 150 or (resid 151 through 246 and (name N or name CA or name C or name O o \ r name CB )) or resid 247 or (resid 248 through 254 and (name N or name CA or na \ me C or name O or name CB )) or resid 255 or (resid 256 through 271 and (name N \ or name CA or name C or name O or name CB )) or resid 272 or (resid 273 through \ 325 and (name N or name CA or name C or name O or name CB )) or resid 326 or (re \ sid 327 through 351 and (name N or name CA or name C or name O or name CB )) or \ resid 352 or (resid 353 through 374 and (name N or name CA or name C or name O o \ r name CB )) or resid 375 or (resid 376 through 445 and (name N or name CA or na \ me C or name O or name CB )) or resid 501)) selection = (chain 'j' and ((resid 3 through 10 and (name N or name CA or name C or name O o \ r name CB )) or resid 11 or (resid 12 through 13 and (name N or name CA or name \ C or name O or name CB )) or resid 14 or (resid 15 through 17 and (name N or nam \ e CA or name C or name O or name CB )) or resid 18 or (resid 19 through 29 and ( \ name N or name CA or name C or name O or name CB )) or resid 30 or (resid 31 thr \ ough 86 and (name N or name CA or name C or name O or name CB )) or resid 101 or \ (resid 102 through 106 and (name N or name CA or name C or name O or name CB )) \ or resid 107 or (resid 108 through 110 and (name N or name CA or name C or name \ O or name CB )) or resid 111 or (resid 112 through 127 and (name N or name CA o \ r name C or name O or name CB )) or resid 128 or (resid 129 through 133 and (nam \ e N or name CA or name C or name O or name CB )) or resid 134 or (resid 135 thro \ ugh 142 and (name N or name CA or name C or name O or name CB )) or resid 144 or \ (resid 145 and (name N or name CA or name C or name O or name CB )) or resid 14 \ 6 or (resid 147 and (name N or name CA or name C or name O or name CB )) or resi \ d 148 or (resid 149 and (name N or name CA or name C or name O or name CB )) or \ resid 150 or (resid 151 through 246 and (name N or name CA or name C or name O o \ r name CB )) or resid 247 or (resid 248 through 254 and (name N or name CA or na \ me C or name O or name CB )) or resid 255 or (resid 256 through 271 and (name N \ or name CA or name C or name O or name CB )) or resid 272 or (resid 273 through \ 325 and (name N or name CA or name C or name O or name CB )) or resid 326 or (re \ sid 327 through 351 and (name N or name CA or name C or name O or name CB )) or \ resid 352 or (resid 353 through 374 and (name N or name CA or name C or name O o \ r name CB )) or resid 375 or (resid 376 through 445 and (name N or name CA or na \ me C or name O or name CB )) or resid 501)) selection = (chain 'k' and ((resid 3 through 10 and (name N or name CA or name C or name O o \ r name CB )) or resid 11 or (resid 12 through 13 and (name N or name CA or name \ C or name O or name CB )) or resid 14 or (resid 15 through 17 and (name N or nam \ e CA or name C or name O or name CB )) or resid 18 or (resid 19 through 29 and ( \ name N or name CA or name C or name O or name CB )) or resid 30 or (resid 31 thr \ ough 86 and (name N or name CA or name C or name O or name CB )) or resid 101 or \ (resid 102 through 106 and (name N or name CA or name C or name O or name CB )) \ or resid 107 or (resid 108 through 110 and (name N or name CA or name C or name \ O or name CB )) or resid 111 or (resid 112 through 127 and (name N or name CA o \ r name C or name O or name CB )) or resid 128 or (resid 129 through 133 and (nam \ e N or name CA or name C or name O or name CB )) or resid 134 or (resid 135 thro \ ugh 142 and (name N or name CA or name C or name O or name CB )) or resid 143 or \ (resid 145 and (name N or name CA or name C or name O or name CB )) or resid 14 \ 6 or (resid 147 and (name N or name CA or name C or name O or name CB )) or resi \ d 148 or (resid 149 and (name N or name CA or name C or name O or name CB )) or \ resid 150 or (resid 151 through 246 and (name N or name CA or name C or name O o \ r name CB )) or resid 247 or (resid 248 through 254 and (name N or name CA or na \ me C or name O or name CB )) or resid 255 or (resid 256 through 271 and (name N \ or name CA or name C or name O or name CB )) or resid 272 or (resid 273 through \ 325 and (name N or name CA or name C or name O or name CB )) or resid 326 or (re \ sid 327 through 351 and (name N or name CA or name C or name O or name CB )) or \ resid 352 or (resid 353 through 374 and (name N or name CA or name C or name O o \ r name CB )) or resid 375 or (resid 376 through 445 and (name N or name CA or na \ me C or name O or name CB )) or resid 501)) selection = (chain 'l' and ((resid 3 through 10 and (name N or name CA or name C or name O o \ r name CB )) or resid 11 or (resid 12 through 13 and (name N or name CA or name \ C or name O or name CB )) or resid 14 or (resid 15 through 17 and (name N or nam \ e CA or name C or name O or name CB )) or resid 18 or (resid 19 through 29 and ( \ name N or name CA or name C or name O or name CB )) or resid 30 or (resid 31 thr \ ough 86 and (name N or name CA or name C or name O or name CB )) or resid 101 or \ (resid 102 through 106 and (name N or name CA or name C or name O or name CB )) \ or resid 107 or (resid 108 through 110 and (name N or name CA or name C or name \ O or name CB )) or resid 111 or (resid 112 through 127 and (name N or name CA o \ r name C or name O or name CB )) or resid 128 or (resid 129 through 133 and (nam \ e N or name CA or name C or name O or name CB )) or resid 134 or (resid 135 thro \ ugh 142 and (name N or name CA or name C or name O or name CB )) or resid 143 or \ (resid 145 and (name N or name CA or name C or name O or name CB )) or resid 14 \ 6 or (resid 147 and (name N or name CA or name C or name O or name CB )) or resi \ d 148 or (resid 149 and (name N or name CA or name C or name O or name CB )) or \ resid 150 or (resid 151 through 246 and (name N or name CA or name C or name O o \ r name CB )) or resid 247 or (resid 248 through 254 and (name N or name CA or na \ me C or name O or name CB )) or resid 255 or (resid 256 through 271 and (name N \ or name CA or name C or name O or name CB )) or resid 272 or (resid 273 through \ 325 and (name N or name CA or name C or name O or name CB )) or resid 326 or (re \ sid 327 through 351 and (name N or name CA or name C or name O or name CB )) or \ resid 352 or (resid 353 through 374 and (name N or name CA or name C or name O o \ r name CB )) or resid 375 or (resid 376 through 445 and (name N or name CA or na \ me C or name O or name CB )) or resid 501)) selection = (chain 'm' and ((resid 3 through 10 and (name N or name CA or name C or name O o \ r name CB )) or resid 11 or (resid 12 through 13 and (name N or name CA or name \ C or name O or name CB )) or resid 14 or (resid 15 through 17 and (name N or nam \ e CA or name C or name O or name CB )) or resid 18 or (resid 19 through 29 and ( \ name N or name CA or name C or name O or name CB )) or resid 30 or (resid 31 thr \ ough 86 and (name N or name CA or name C or name O or name CB )) or resid 101 or \ (resid 102 through 106 and (name N or name CA or name C or name O or name CB )) \ or resid 107 or (resid 108 through 110 and (name N or name CA or name C or name \ O or name CB )) or resid 111 or (resid 112 through 127 and (name N or name CA o \ r name C or name O or name CB )) or resid 128 or (resid 129 through 133 and (nam \ e N or name CA or name C or name O or name CB )) or resid 134 or (resid 135 thro \ ugh 142 and (name N or name CA or name C or name O or name CB )) or resid 144 or \ (resid 145 and (name N or name CA or name C or name O or name CB )) or resid 14 \ 6 or (resid 147 and (name N or name CA or name C or name O or name CB )) or resi \ d 148 or (resid 149 and (name N or name CA or name C or name O or name CB )) or \ resid 150 or (resid 151 through 246 and (name N or name CA or name C or name O o \ r name CB )) or resid 247 or (resid 248 through 254 and (name N or name CA or na \ me C or name O or name CB )) or resid 255 or (resid 256 through 271 and (name N \ or name CA or name C or name O or name CB )) or resid 272 or (resid 273 through \ 325 and (name N or name CA or name C or name O or name CB )) or resid 326 or (re \ sid 327 through 351 and (name N or name CA or name C or name O or name CB )) or \ resid 352 or (resid 353 through 374 and (name N or name CA or name C or name O o \ r name CB )) or resid 375 or (resid 376 through 445 and (name N or name CA or na \ me C or name O or name CB )) or resid 501)) selection = (chain 't' and (resid 3 through 143 or resid 145 through 445 or resid 501)) } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=0.50 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: 1.760 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: 14.010 Check model and map are aligned: 1.080 Set scattering table: 0.690 Process input model: 225.000 Find NCS groups from input model: 6.200 Set up NCS constraints: 0.440 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.010 Load rotamer database and sin/cos tables:1.970 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 251.230 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.4959 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 : 0.006 0.107 108247 Z= 0.387 Angle : 0.753 12.676 146619 Z= 0.475 Chirality : 0.050 0.363 17029 Planarity : 0.004 0.068 18609 Dihedral : 13.808 150.826 38143 Min Nonbonded Distance : 2.102 Molprobity Statistics. All-atom Clashscore : 10.50 Ramachandran Plot: Outliers : 0.09 % Allowed : 5.00 % Favored : 94.92 % Rotamer: Outliers : 0.63 % Allowed : 6.44 % Favored : 92.93 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -4.11 (0.06), residues: 12561 helix: -2.84 (0.05), residues: 7297 sheet: -1.82 (0.15), residues: 984 loop : -2.33 (0.09), residues: 4280 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.017 0.001 TRP M 652 HIS 0.007 0.001 HIS J 892 PHE 0.018 0.001 PHE H 446 TYR 0.016 0.001 TYR A 648 ARG 0.010 0.000 ARG J 904 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25122 Ramachandran restraints generated. 12561 Oldfield, 0 Emsley, 12561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25122 Ramachandran restraints generated. 12561 Oldfield, 0 Emsley, 12561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2474 residues out of total 11842 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 64 poor density : 2410 time to evaluate : 9.038 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 TARDY: cannot create tardy model for: "ARG I 551 " (corrupted residue). Skipping it. revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash TARDY: cannot create tardy model for: "ARG K 551 " (corrupted residue). Skipping it. revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 589 MET cc_start: 0.6542 (tpp) cc_final: 0.6177 (tpt) REVERT: A 682 GLN cc_start: 0.6676 (pt0) cc_final: 0.5893 (tm-30) REVERT: A 683 LEU cc_start: 0.7035 (tp) cc_final: 0.6669 (tp) REVERT: A 726 MET cc_start: 0.4932 (mtt) cc_final: 0.4184 (mtt) REVERT: A 746 ASN cc_start: 0.6397 (p0) cc_final: 0.5759 (p0) REVERT: B 434 ILE cc_start: 0.8376 (mt) cc_final: 0.8115 (mt) REVERT: B 436 ASP cc_start: 0.7754 (m-30) cc_final: 0.7498 (m-30) REVERT: B 592 LEU cc_start: 0.3940 (mt) cc_final: 0.3240 (mt) REVERT: B 668 TRP cc_start: 0.5397 (t-100) cc_final: 0.5152 (t-100) REVERT: B 735 TRP cc_start: 0.7104 (t-100) cc_final: 0.6894 (t-100) REVERT: C 456 TRP cc_start: 0.6778 (p-90) cc_final: 0.6182 (p-90) REVERT: C 606 MET cc_start: 0.7661 (mmt) cc_final: 0.7122 (mmt) REVERT: C 725 MET cc_start: 0.7523 (ttm) cc_final: 0.6906 (mmm) REVERT: C 758 LEU cc_start: 0.8868 (mt) cc_final: 0.8627 (mt) REVERT: D 411 MET cc_start: 0.7218 (ttm) cc_final: 0.6997 (ttp) REVERT: D 416 GLN cc_start: 0.7607 (tt0) cc_final: 0.6427 (tm-30) REVERT: D 475 MET cc_start: 0.8343 (mtp) cc_final: 0.8129 (mtt) REVERT: D 622 ASP cc_start: 0.7007 (p0) cc_final: 0.6006 (m-30) REVERT: D 673 MET cc_start: 0.8310 (mmt) cc_final: 0.7872 (tpp) REVERT: D 779 PHE cc_start: 0.6406 (m-10) cc_final: 0.6201 (m-80) REVERT: E 297 SER cc_start: 0.8486 (m) cc_final: 0.8240 (p) REVERT: E 457 ASP cc_start: 0.7635 (m-30) cc_final: 0.7191 (t0) REVERT: E 656 LEU cc_start: 0.6664 (mp) cc_final: 0.6162 (mp) REVERT: E 726 MET cc_start: 0.7348 (mtt) cc_final: 0.7144 (mtt) REVERT: E 751 LEU cc_start: 0.8128 (mt) cc_final: 0.7816 (tt) REVERT: E 880 MET cc_start: 0.1446 (tpp) cc_final: 0.0701 (pmm) REVERT: F 416 GLN cc_start: 0.8087 (tt0) cc_final: 0.7221 (tm-30) REVERT: F 465 THR cc_start: 0.7416 (m) cc_final: 0.6927 (p) REVERT: F 624 ARG cc_start: 0.8400 (ptm-80) cc_final: 0.8200 (ttp80) REVERT: F 862 LEU cc_start: 0.8591 (mt) cc_final: 0.8185 (mm) REVERT: F 864 LEU cc_start: 0.8217 (mt) cc_final: 0.7947 (mt) REVERT: F 886 TYR cc_start: 0.6962 (m-80) cc_final: 0.6755 (m-10) REVERT: G 333 ILE cc_start: 0.3323 (mt) cc_final: 0.1857 (pt) REVERT: G 457 ASP cc_start: 0.5392 (m-30) cc_final: 0.4894 (p0) REVERT: G 458 GLN cc_start: 0.6430 (tm-30) cc_final: 0.5933 (pm20) REVERT: H 436 ASP cc_start: 0.6711 (m-30) cc_final: 0.6182 (m-30) REVERT: H 591 THR cc_start: 0.8542 (p) cc_final: 0.7398 (t) REVERT: H 617 ILE cc_start: 0.7963 (pt) cc_final: 0.7171 (pt) REVERT: H 661 LEU cc_start: 0.8596 (mp) cc_final: 0.8347 (tt) REVERT: H 728 GLU cc_start: 0.7791 (tp30) cc_final: 0.7390 (tp30) REVERT: H 782 ILE cc_start: 0.8981 (mt) cc_final: 0.8640 (mt) REVERT: I 1 MET cc_start: 0.8021 (tmm) cc_final: 0.7625 (tmm) REVERT: I 327 GLN cc_start: 0.8067 (mt0) cc_final: 0.7726 (tm-30) REVERT: I 554 GLU cc_start: 0.6013 (mt-10) cc_final: 0.5404 (mt-10) REVERT: I 586 LEU cc_start: 0.7966 (mt) cc_final: 0.7285 (tp) REVERT: J 276 TRP cc_start: 0.7494 (m-10) cc_final: 0.6434 (m-10) REVERT: J 283 LYS cc_start: 0.7663 (mmmt) cc_final: 0.6845 (tttm) REVERT: J 365 MET cc_start: 0.7030 (ppp) cc_final: 0.5991 (ppp) REVERT: J 482 HIS cc_start: 0.6922 (m90) cc_final: 0.6638 (m-70) REVERT: J 566 MET cc_start: 0.5396 (tpt) cc_final: 0.5167 (tpt) REVERT: J 799 LEU cc_start: 0.4043 (mp) cc_final: 0.3643 (tt) REVERT: J 956 LYS cc_start: 0.8001 (ptmt) cc_final: 0.7706 (ptpt) REVERT: K 40 SER cc_start: 0.8094 (p) cc_final: 0.7837 (t) REVERT: K 57 GLU cc_start: 0.7540 (tt0) cc_final: 0.7109 (tm-30) REVERT: K 310 GLU cc_start: 0.7702 (mm-30) cc_final: 0.7093 (mt-10) REVERT: K 462 LEU cc_start: 0.6744 (mt) cc_final: 0.6418 (mp) REVERT: K 520 MET cc_start: 0.1382 (ttm) cc_final: 0.0974 (tpt) REVERT: K 620 ARG cc_start: 0.3634 (ttp80) cc_final: 0.2752 (mmp-170) REVERT: L 1615 LYS cc_start: 0.6352 (mttt) cc_final: 0.6069 (tttt) REVERT: L 1709 LEU cc_start: 0.5869 (tt) cc_final: 0.5049 (tt) REVERT: M 354 PHE cc_start: 0.3278 (t80) cc_final: 0.2321 (m-10) REVERT: M 550 MET cc_start: -0.0616 (mtp) cc_final: -0.1337 (tmm) REVERT: M 560 MET cc_start: 0.0989 (mtt) cc_final: 0.0299 (ttm) REVERT: M 672 HIS cc_start: -0.0888 (t-90) cc_final: -0.1186 (t70) REVERT: M 731 GLU cc_start: 0.2080 (OUTLIER) cc_final: 0.0818 (tp30) REVERT: M 759 ASP cc_start: 0.3083 (p0) cc_final: 0.2002 (t0) REVERT: a 304 MET cc_start: 0.3928 (mtt) cc_final: 0.3664 (tmm) REVERT: c 269 LEU cc_start: 0.6619 (mt) cc_final: 0.5491 (tt) REVERT: c 298 LEU cc_start: 0.6176 (mt) cc_final: 0.5849 (pp) REVERT: c 320 ILE cc_start: 0.5791 (mm) cc_final: 0.4917 (mt) REVERT: c 321 LEU cc_start: 0.8101 (tp) cc_final: 0.7811 (pp) REVERT: c 373 VAL cc_start: 0.6841 (p) cc_final: 0.6568 (t) REVERT: c 441 PRO cc_start: 0.7684 (Cg_exo) cc_final: 0.7324 (Cg_endo) REVERT: e 5 ILE cc_start: 0.5409 (mt) cc_final: 0.5140 (mm) REVERT: e 25 LEU cc_start: 0.7076 (tp) cc_final: 0.6805 (tp) REVERT: e 235 ILE cc_start: 0.7830 (mt) cc_final: 0.7483 (mt) REVERT: e 421 MET cc_start: 0.1753 (mtt) cc_final: 0.1427 (tpt) REVERT: f 249 MET cc_start: 0.7478 (mtm) cc_final: 0.7276 (mtp) REVERT: g 232 VAL cc_start: 0.7297 (t) cc_final: 0.6750 (p) REVERT: h 24 GLN cc_start: 0.8219 (tp-100) cc_final: 0.7849 (tp-100) REVERT: h 213 ILE cc_start: 0.7676 (mt) cc_final: 0.6847 (mm) REVERT: h 241 THR cc_start: 0.8496 (m) cc_final: 0.8220 (m) REVERT: h 296 ARG cc_start: 0.7344 (mtm180) cc_final: 0.7078 (mtm180) REVERT: h 377 MET cc_start: 0.8174 (tmm) cc_final: 0.7920 (tmm) REVERT: i 21 PHE cc_start: 0.5555 (t80) cc_final: 0.5332 (t80) REVERT: i 292 ASP cc_start: 0.7096 (m-30) cc_final: 0.6593 (m-30) REVERT: j 19 PHE cc_start: 0.2349 (t80) cc_final: 0.0775 (t80) REVERT: j 120 ASP cc_start: 0.4945 (m-30) cc_final: 0.4163 (p0) REVERT: j 127 ASP cc_start: 0.5653 (m-30) cc_final: 0.5368 (t70) REVERT: j 212 ARG cc_start: 0.6122 (mtt180) cc_final: 0.5736 (mmm-85) REVERT: j 227 GLN cc_start: 0.5736 (tp40) cc_final: 0.4868 (tm-30) REVERT: j 333 VAL cc_start: 0.7926 (p) cc_final: 0.7636 (p) REVERT: j 338 GLN cc_start: 0.6344 (mm-40) cc_final: 0.6111 (tm-30) REVERT: j 378 MET cc_start: 0.4621 (mtt) cc_final: 0.4318 (mtt) REVERT: j 421 MET cc_start: -0.1388 (mmp) cc_final: -0.2031 (mtm) REVERT: l 40 PHE cc_start: 0.0649 (m-80) cc_final: 0.0253 (m-10) REVERT: l 122 ILE cc_start: 0.5371 (mt) cc_final: 0.5094 (mm) REVERT: l 377 MET cc_start: 0.3411 (tmm) cc_final: 0.2609 (ptt) REVERT: l 421 MET cc_start: 0.0141 (ttm) cc_final: -0.0525 (mpp) REVERT: m 82 TYR cc_start: -0.0958 (m-80) cc_final: -0.1240 (m-80) REVERT: m 84 LYS cc_start: 0.4144 (mtpp) cc_final: 0.3799 (tttm) REVERT: m 251 ASN cc_start: 0.3679 (m-40) cc_final: 0.1778 (p0) REVERT: m 294 MET cc_start: 0.3615 (mtt) cc_final: 0.2843 (mmm) REVERT: m 335 LYS cc_start: 0.6725 (ttmm) cc_final: 0.6342 (tptt) REVERT: m 419 ASP cc_start: 0.4505 (t70) cc_final: 0.3464 (m-30) outliers start: 64 outliers final: 17 residues processed: 2464 average time/residue: 0.9134 time to fit residues: 3797.7097 Evaluate side-chains 1144 residues out of total 11842 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 18 poor density : 1126 time to evaluate : 8.157 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1366 random chunks: chunk 1153 optimal weight: 9.9990 chunk 1035 optimal weight: 6.9990 chunk 574 optimal weight: 3.9990 chunk 353 optimal weight: 0.5980 chunk 698 optimal weight: 10.0000 chunk 553 optimal weight: 2.9990 chunk 1070 optimal weight: 7.9990 chunk 414 optimal weight: 7.9990 chunk 651 optimal weight: 10.0000 chunk 796 optimal weight: 0.9980 chunk 1240 optimal weight: 20.0000 overall best weight: 3.1186 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 315 GLN A 331 HIS A 429 HIS A 486 ASN A 678 HIS A 851 ASN ** A 890 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 259 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 345 GLN B 387 HIS B 491 ASN B 643 HIS B 684 HIS C 264 GLN C 342 HIS ** C 350 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 486 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 682 GLN ** C 735 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 528 ASN D 643 HIS ** D 751 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 317 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 486 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 682 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 719 GLN E 722 GLN ** E 890 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 259 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 345 GLN F 387 HIS F 491 ASN ** F 560 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 643 HIS F 702 HIS ** F 705 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** F 736 ASN F 751 HIS F 846 GLN G 318 HIS ** G 350 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 486 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 558 HIS G 678 HIS ** G 682 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 722 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 345 GLN ** H 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 852 HIS I 116 HIS ** I 316 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 498 GLN I 500 GLN I 539 GLN I 542 GLN I 566 ASN ** J 362 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 413 HIS J 474 GLN J 818 GLN J 822 ASN J 895 ASN J 907 HIS J 938 HIS J 989 ASN K 35 HIS K 98 GLN K 390 HIS ** K 421 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 488 GLN ** K 492 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 493 HIS K 498 GLN K 518 ASN ** K 539 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 545 HIS K 590 HIS L 441 GLN L 517 HIS L1559 GLN L1568 HIS L1666 GLN L1678 ASN L1679 GLN ** L1702 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L1777 HIS L1805 ASN M 264 GLN ** M 486 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 682 GLN a 381 HIS a 430 GLN a 436 HIS b 24 GLN b 230 GLN b 299 GLN b 332 GLN b 338 GLN b 381 HIS b 430 GLN b 436 HIS c 75 HIS c 167 GLN c 250 ASN c 251 ASN c 381 HIS c 430 GLN d 24 GLN d 115 HIS d 139 HIS d 314 ASN d 381 HIS d 430 GLN d 436 HIS e 24 GLN e 250 ASN e 338 GLN e 381 HIS e 430 GLN f 24 GLN f 75 HIS f 357 GLN f 381 HIS f 394 GLN f 430 GLN f 436 HIS g 197 GLN g 219 HIS g 227 GLN g 250 ASN g 251 ASN g 381 HIS g 430 GLN h 24 GLN h 219 HIS h 250 ASN h 314 ASN h 357 GLN h 381 HIS h 430 GLN h 436 HIS i 198 ASN i 251 ASN i 322 ASN i 325 GLN i 430 GLN j 115 HIS j 299 GLN j 381 HIS k 54 GLN k 139 HIS k 211 ASN k 250 ASN k 332 GLN k 334 HIS k 430 GLN k 436 HIS l 167 GLN l 211 ASN l 322 ASN ** l 332 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 394 GLN l 430 GLN m 12 GLN m 139 HIS m 167 GLN m 227 GLN m 250 ASN m 251 ASN m 322 ASN m 325 GLN m 381 HIS Total number of N/Q/H flips: 146 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5336 moved from start: 0.3483 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.101 108247 Z= 0.331 Angle : 0.726 10.999 146619 Z= 0.374 Chirality : 0.045 0.288 17029 Planarity : 0.005 0.076 18609 Dihedral : 5.236 137.129 14913 Min Nonbonded Distance : 2.037 Molprobity Statistics. All-atom Clashscore : 10.09 Ramachandran Plot: Outliers : 0.02 % Allowed : 4.04 % Favored : 95.94 % Rotamer: Outliers : 0.26 % Allowed : 6.16 % Favored : 93.58 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.38 (0.07), residues: 12561 helix: -1.27 (0.05), residues: 7692 sheet: -1.26 (0.15), residues: 1042 loop : -1.94 (0.10), residues: 3827 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.022 0.002 TRP L1685 HIS 0.015 0.001 HIS G 318 PHE 0.063 0.002 PHE b 19 TYR 0.036 0.002 TYR I 474 ARG 0.015 0.001 ARG G 390 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25122 Ramachandran restraints generated. 12561 Oldfield, 0 Emsley, 12561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25122 Ramachandran restraints generated. 12561 Oldfield, 0 Emsley, 12561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1458 residues out of total 11842 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 25 poor density : 1433 time to evaluate : 9.065 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 TARDY: cannot create tardy model for: "ARG I 551 " (corrupted residue). Skipping it. 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: A 247 GLU cc_start: 0.4916 (pt0) cc_final: 0.4601 (pp20) REVERT: A 589 MET cc_start: 0.7209 (tpp) cc_final: 0.6644 (tpt) REVERT: A 682 GLN cc_start: 0.6137 (pt0) cc_final: 0.5609 (tm-30) REVERT: A 747 ILE cc_start: 0.7508 (mm) cc_final: 0.7085 (mm) REVERT: A 780 MET cc_start: 0.4580 (mmt) cc_final: 0.4350 (mmt) REVERT: B 268 MET cc_start: 0.6026 (tpp) cc_final: 0.5810 (tpt) REVERT: B 313 LEU cc_start: 0.7990 (tt) cc_final: 0.7478 (tt) REVERT: B 562 MET cc_start: 0.6194 (ttp) cc_final: 0.5957 (ttp) REVERT: B 772 LEU cc_start: 0.6774 (tp) cc_final: 0.6467 (tp) REVERT: C 456 TRP cc_start: 0.7063 (p-90) cc_final: 0.6384 (p-90) REVERT: C 708 PHE cc_start: 0.6198 (m-10) cc_final: 0.5975 (m-10) REVERT: C 766 MET cc_start: 0.7058 (mpp) cc_final: 0.6835 (mpp) REVERT: D 416 GLN cc_start: 0.8470 (tt0) cc_final: 0.6769 (tm-30) REVERT: D 573 PHE cc_start: 0.6889 (t80) cc_final: 0.6603 (t80) REVERT: D 667 LEU cc_start: 0.7661 (mt) cc_final: 0.7461 (mt) REVERT: D 718 MET cc_start: 0.5664 (tmm) cc_final: 0.5176 (ttm) REVERT: E 277 ASP cc_start: 0.7223 (t0) cc_final: 0.6891 (t0) REVERT: E 297 SER cc_start: 0.8818 (m) cc_final: 0.8569 (p) REVERT: E 407 LEU cc_start: 0.8251 (OUTLIER) cc_final: 0.7814 (mp) REVERT: E 457 ASP cc_start: 0.7641 (m-30) cc_final: 0.6876 (t0) REVERT: E 480 SER cc_start: 0.8343 (p) cc_final: 0.8112 (m) REVERT: E 528 LEU cc_start: 0.7205 (tt) cc_final: 0.6700 (mm) REVERT: E 599 ASP cc_start: 0.8153 (p0) cc_final: 0.7664 (p0) REVERT: E 730 MET cc_start: 0.5807 (mmm) cc_final: 0.4858 (mmt) REVERT: E 751 LEU cc_start: 0.7936 (mt) cc_final: 0.7699 (tt) REVERT: F 296 GLU cc_start: 0.8430 (tp30) cc_final: 0.8079 (mm-30) REVERT: F 416 GLN cc_start: 0.8253 (tt0) cc_final: 0.7033 (tm-30) REVERT: F 619 ARG cc_start: 0.7872 (ttp80) cc_final: 0.7655 (ttp80) REVERT: F 624 ARG cc_start: 0.8263 (ptm-80) cc_final: 0.7984 (ttp80) REVERT: F 667 LEU cc_start: 0.8590 (mm) cc_final: 0.8201 (tp) REVERT: G 360 MET cc_start: 0.7438 (ttt) cc_final: 0.6906 (ttm) REVERT: G 457 ASP cc_start: 0.5900 (m-30) cc_final: 0.5586 (p0) REVERT: G 458 GLN cc_start: 0.7197 (tm-30) cc_final: 0.6361 (pm20) REVERT: G 476 ASP cc_start: 0.7192 (m-30) cc_final: 0.6663 (m-30) REVERT: G 532 MET cc_start: 0.7516 (mmt) cc_final: 0.7299 (mmt) REVERT: G 726 MET cc_start: 0.6703 (ptt) cc_final: 0.5876 (ptt) REVERT: G 766 MET cc_start: 0.4660 (ptm) cc_final: 0.2408 (mpp) REVERT: G 790 MET cc_start: 0.4347 (tpp) cc_final: 0.2462 (ptt) REVERT: H 339 LEU cc_start: 0.8319 (mt) cc_final: 0.7829 (mt) REVERT: H 375 LYS cc_start: 0.8174 (tttt) cc_final: 0.7612 (ttpp) REVERT: H 433 TRP cc_start: 0.8089 (t-100) cc_final: 0.7346 (t-100) REVERT: H 578 MET cc_start: 0.8214 (tpp) cc_final: 0.7954 (tpp) REVERT: H 654 ARG cc_start: 0.8061 (tpp80) cc_final: 0.7802 (tpp80) REVERT: H 673 MET cc_start: 0.8270 (mmm) cc_final: 0.7927 (mmm) REVERT: H 689 LYS cc_start: 0.7454 (mtpp) cc_final: 0.7209 (mtpt) REVERT: H 728 GLU cc_start: 0.7837 (tp30) cc_final: 0.7582 (tp30) REVERT: H 782 ILE cc_start: 0.8585 (mt) cc_final: 0.8273 (mt) REVERT: H 804 LEU cc_start: 0.8535 (tp) cc_final: 0.8303 (tp) REVERT: H 843 MET cc_start: 0.8394 (mpp) cc_final: 0.8144 (mpp) REVERT: I 1 MET cc_start: 0.8321 (tmm) cc_final: 0.7891 (tmm) REVERT: I 169 ARG cc_start: 0.8251 (ttt90) cc_final: 0.8017 (ttt-90) REVERT: I 327 GLN cc_start: 0.8481 (mt0) cc_final: 0.8215 (tm-30) REVERT: I 344 MET cc_start: 0.8799 (tpp) cc_final: 0.7920 (ttt) REVERT: I 414 LEU cc_start: 0.8017 (mp) cc_final: 0.7579 (mp) REVERT: I 586 LEU cc_start: 0.7718 (mt) cc_final: 0.7197 (tp) REVERT: J 365 MET cc_start: 0.7824 (ppp) cc_final: 0.7408 (ppp) REVERT: J 482 HIS cc_start: 0.7041 (m90) cc_final: 0.6752 (m-70) REVERT: J 646 LEU cc_start: 0.4679 (mt) cc_final: 0.4325 (tp) REVERT: J 723 MET cc_start: 0.3129 (tmm) cc_final: 0.2615 (tmm) REVERT: J 726 PHE cc_start: 0.2418 (m-10) cc_final: 0.2136 (m-80) REVERT: J 799 LEU cc_start: 0.4084 (mp) cc_final: 0.3687 (tt) REVERT: J 902 MET cc_start: 0.5730 (tmm) cc_final: 0.5475 (tpt) REVERT: K 57 GLU cc_start: 0.7454 (tt0) cc_final: 0.7247 (tm-30) REVERT: K 310 GLU cc_start: 0.8503 (mm-30) cc_final: 0.8228 (mm-30) REVERT: K 390 HIS cc_start: 0.3572 (OUTLIER) cc_final: 0.3280 (p90) REVERT: K 499 MET cc_start: 0.4636 (tpt) cc_final: 0.3991 (ttm) REVERT: K 550 THR cc_start: 0.3815 (p) cc_final: 0.3435 (t) REVERT: K 562 HIS cc_start: 0.8346 (m-70) cc_final: 0.7513 (m170) REVERT: L 1513 ARG cc_start: 0.5221 (ttt180) cc_final: 0.4654 (ptm160) REVERT: M 354 PHE cc_start: 0.2563 (t80) cc_final: 0.2058 (m-10) REVERT: M 560 MET cc_start: 0.0095 (mtt) cc_final: -0.0621 (ttm) REVERT: M 606 MET cc_start: -0.2058 (mmt) cc_final: -0.2929 (mtm) REVERT: b 112 GLU cc_start: 0.5730 (tp30) cc_final: 0.4778 (mm-30) REVERT: b 120 ASP cc_start: 0.5625 (m-30) cc_final: 0.5412 (m-30) REVERT: b 217 ARG cc_start: 0.3332 (mtt180) cc_final: 0.2760 (tpt-90) REVERT: b 266 LEU cc_start: 0.5670 (mt) cc_final: 0.5405 (mp) REVERT: c 202 LEU cc_start: 0.5220 (tt) cc_final: 0.4752 (tt) REVERT: c 269 LEU cc_start: 0.5820 (mt) cc_final: 0.5330 (mp) REVERT: c 298 LEU cc_start: 0.6134 (mt) cc_final: 0.5864 (pp) REVERT: c 322 ASN cc_start: 0.7567 (t0) cc_final: 0.7219 (t0) REVERT: c 376 LEU cc_start: 0.7730 (tt) cc_final: 0.7345 (pp) REVERT: c 377 MET cc_start: 0.7338 (tpp) cc_final: 0.7035 (tpp) REVERT: d 291 LEU cc_start: 0.7408 (tp) cc_final: 0.6692 (tp) REVERT: e 137 LEU cc_start: 0.5385 (mt) cc_final: 0.4877 (tt) REVERT: e 256 LEU cc_start: 0.5390 (mp) cc_final: 0.4305 (mt) REVERT: e 396 ASP cc_start: 0.6979 (m-30) cc_final: 0.5990 (t70) REVERT: e 421 MET cc_start: 0.2050 (mtt) cc_final: 0.1479 (tpt) REVERT: f 4 GLU cc_start: 0.6573 (mt-10) cc_final: 0.6349 (mt-10) REVERT: g 274 THR cc_start: 0.8154 (t) cc_final: 0.7798 (m) REVERT: g 378 MET cc_start: 0.5893 (mmp) cc_final: 0.5597 (mmp) REVERT: h 377 MET cc_start: 0.8242 (tmm) cc_final: 0.7952 (tmm) REVERT: j 120 ASP cc_start: 0.5159 (m-30) cc_final: 0.4622 (p0) REVERT: j 127 ASP cc_start: 0.6182 (m-30) cc_final: 0.5332 (t70) REVERT: j 227 GLN cc_start: 0.4596 (tp40) cc_final: 0.3823 (tm-30) REVERT: j 304 MET cc_start: 0.2157 (mpp) cc_final: 0.1825 (mpp) REVERT: j 378 MET cc_start: 0.3839 (mtt) cc_final: 0.3540 (mtt) REVERT: j 421 MET cc_start: -0.1329 (mmp) cc_final: -0.1866 (mtm) REVERT: k 236 MET cc_start: 0.3382 (mtp) cc_final: 0.2740 (mtt) REVERT: k 270 MET cc_start: 0.4711 (ptp) cc_final: 0.4472 (ptp) REVERT: k 378 MET cc_start: 0.4242 (tpp) cc_final: 0.3350 (mpp) REVERT: l 302 ASN cc_start: 0.4084 (m-40) cc_final: 0.3737 (m-40) REVERT: m 294 MET cc_start: 0.3699 (mtt) cc_final: 0.3392 (tpt) REVERT: m 335 LYS cc_start: 0.6641 (ttmm) cc_final: 0.6265 (tptt) REVERT: m 419 ASP cc_start: 0.4680 (t70) cc_final: 0.3279 (m-30) outliers start: 25 outliers final: 9 residues processed: 1456 average time/residue: 0.9073 time to fit residues: 2297.1552 Evaluate side-chains 937 residues out of total 11842 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 11 poor density : 926 time to evaluate : 9.042 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1366 random chunks: chunk 689 optimal weight: 7.9990 chunk 384 optimal weight: 0.9990 chunk 1032 optimal weight: 10.0000 chunk 844 optimal weight: 4.9990 chunk 342 optimal weight: 0.9990 chunk 1242 optimal weight: 20.0000 chunk 1342 optimal weight: 50.0000 chunk 1106 optimal weight: 5.9990 chunk 1232 optimal weight: 30.0000 chunk 423 optimal weight: 2.9990 chunk 996 optimal weight: 20.0000 overall best weight: 3.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 486 ASN A 682 GLN A 722 GLN A 890 ASN ** B 259 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 576 HIS B 684 HIS B 713 HIS B 716 HIS ** C 350 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 429 HIS C 486 ASN C 682 GLN C 860 HIS D 751 HIS E 264 GLN E 317 ASN E 440 HIS ** E 486 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 558 HIS ** E 682 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 722 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 890 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 491 ASN F 576 HIS ** F 705 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 264 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 722 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 343 HIS ** H 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 576 HIS ** H 705 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 746 HIS I 3 HIS I 116 HIS I 193 HIS I 312 HIS I 415 HIS I 500 GLN ** I 539 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 542 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 548 ASN I 562 HIS ** J 362 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 822 ASN J 830 GLN J 930 HIS K 20 ASN K 146 GLN K 459 GLN ** K 475 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 492 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 518 ASN ** K 539 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 545 HIS K 562 HIS L 537 HIS L1682 HIS L1705 HIS M 350 GLN M 388 HIS M 486 ASN M 682 GLN ** a 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 250 ASN b 299 GLN c 75 HIS c 250 ASN ** c 380 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 338 GLN e 302 ASN f 197 GLN f 229 ASN ** g 79 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 299 GLN g 325 GLN ** h 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** i 115 HIS i 436 HIS j 115 HIS j 315 HIS j 381 HIS k 198 ASN ** k 207 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 250 ASN ** l 332 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 63 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5496 moved from start: 0.4828 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.073 108247 Z= 0.306 Angle : 0.682 11.483 146619 Z= 0.345 Chirality : 0.044 0.265 17029 Planarity : 0.005 0.088 18609 Dihedral : 5.105 120.162 14913 Min Nonbonded Distance : 1.920 Molprobity Statistics. All-atom Clashscore : 10.40 Ramachandran Plot: Outliers : 0.02 % Allowed : 4.05 % Favored : 95.94 % Rotamer: Outliers : 0.09 % Allowed : 5.76 % Favored : 94.15 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.53 (0.07), residues: 12561 helix: -0.55 (0.06), residues: 7717 sheet: -0.98 (0.15), residues: 1013 loop : -1.71 (0.10), residues: 3831 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.032 0.002 TRP J 833 HIS 0.024 0.002 HIS F 387 PHE 0.054 0.002 PHE L1733 TYR 0.039 0.002 TYR K 184 ARG 0.068 0.001 ARG b 399 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25122 Ramachandran restraints generated. 12561 Oldfield, 0 Emsley, 12561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25122 Ramachandran restraints generated. 12561 Oldfield, 0 Emsley, 12561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1247 residues out of total 11842 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 7 poor density : 1240 time to evaluate : 9.083 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 TARDY: cannot create tardy model for: "ARG I 551 " (corrupted residue). Skipping it. 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: A 247 GLU cc_start: 0.4843 (pt0) cc_final: 0.4561 (pp20) REVERT: A 589 MET cc_start: 0.7085 (tpp) cc_final: 0.6663 (tpt) REVERT: A 682 GLN cc_start: 0.6264 (pt0) cc_final: 0.5722 (tm-30) REVERT: B 268 MET cc_start: 0.5401 (tpp) cc_final: 0.5059 (tpt) REVERT: B 711 MET cc_start: 0.7123 (mmm) cc_final: 0.6781 (mmm) REVERT: C 284 ILE cc_start: 0.8757 (mm) cc_final: 0.8512 (mm) REVERT: C 589 MET cc_start: 0.6582 (mmm) cc_final: 0.6363 (tpt) REVERT: D 313 LEU cc_start: 0.7406 (tp) cc_final: 0.7006 (tt) REVERT: D 416 GLN cc_start: 0.8949 (tt0) cc_final: 0.7268 (tm-30) REVERT: D 431 TYR cc_start: 0.7815 (m-80) cc_final: 0.7531 (m-80) REVERT: D 673 MET cc_start: 0.8683 (mmm) cc_final: 0.8296 (mmt) REVERT: E 343 ARG cc_start: 0.8556 (mmm160) cc_final: 0.7867 (tpp80) REVERT: E 457 ASP cc_start: 0.7595 (m-30) cc_final: 0.6938 (t0) REVERT: E 514 GLU cc_start: 0.8199 (pp20) cc_final: 0.7976 (pp20) REVERT: E 568 ARG cc_start: 0.7262 (mmt180) cc_final: 0.6989 (mmt90) REVERT: E 599 ASP cc_start: 0.8150 (p0) cc_final: 0.7525 (p0) REVERT: E 780 MET cc_start: 0.6765 (mmp) cc_final: 0.6494 (mmp) REVERT: F 315 ARG cc_start: 0.7764 (tpt90) cc_final: 0.7500 (tpt170) REVERT: F 416 GLN cc_start: 0.8276 (tt0) cc_final: 0.7036 (tm-30) REVERT: F 477 MET cc_start: 0.8443 (tpp) cc_final: 0.8235 (tpp) REVERT: F 707 LEU cc_start: 0.7957 (tp) cc_final: 0.7669 (tp) REVERT: F 771 LEU cc_start: 0.8308 (mm) cc_final: 0.8031 (mm) REVERT: F 803 ARG cc_start: 0.7287 (mtm110) cc_final: 0.7010 (ttm110) REVERT: F 842 LYS cc_start: 0.8512 (tppt) cc_final: 0.8250 (tppt) REVERT: F 864 LEU cc_start: 0.8294 (mt) cc_final: 0.8091 (mm) REVERT: G 457 ASP cc_start: 0.6969 (m-30) cc_final: 0.6621 (p0) REVERT: G 458 GLN cc_start: 0.7299 (tm-30) cc_final: 0.6906 (pm20) REVERT: G 726 MET cc_start: 0.7160 (ptt) cc_final: 0.6324 (ptt) REVERT: G 766 MET cc_start: 0.5196 (ptm) cc_final: 0.3409 (mpp) REVERT: G 880 MET cc_start: 0.7018 (ttt) cc_final: 0.6783 (ttp) REVERT: H 673 MET cc_start: 0.8588 (mmm) cc_final: 0.8163 (mmm) REVERT: H 689 LYS cc_start: 0.7247 (mtpp) cc_final: 0.6990 (mtpp) REVERT: H 728 GLU cc_start: 0.7882 (tp30) cc_final: 0.7600 (tp30) REVERT: H 782 ILE cc_start: 0.8643 (mt) cc_final: 0.8045 (mt) REVERT: H 800 LEU cc_start: 0.9114 (tt) cc_final: 0.8893 (pp) REVERT: H 804 LEU cc_start: 0.8679 (tp) cc_final: 0.8423 (tp) REVERT: I 1 MET cc_start: 0.8330 (tmm) cc_final: 0.8101 (ttm) REVERT: I 285 MET cc_start: 0.8636 (tmm) cc_final: 0.8435 (tmm) REVERT: I 327 GLN cc_start: 0.8538 (mt0) cc_final: 0.8126 (tm-30) REVERT: I 397 GLN cc_start: 0.7092 (tp-100) cc_final: 0.6810 (tp40) REVERT: I 401 HIS cc_start: 0.6840 (m-70) cc_final: 0.6176 (m-70) REVERT: I 562 HIS cc_start: 0.8603 (t70) cc_final: 0.8353 (t70) REVERT: I 586 LEU cc_start: 0.7891 (mt) cc_final: 0.7453 (tt) REVERT: J 482 HIS cc_start: 0.7208 (m90) cc_final: 0.6906 (m-70) REVERT: J 707 MET cc_start: 0.3679 (mmp) cc_final: 0.3433 (mmp) REVERT: J 799 LEU cc_start: 0.4317 (mp) cc_final: 0.4116 (tt) REVERT: J 955 MET cc_start: 0.7030 (ptt) cc_final: 0.6526 (tpt) REVERT: K 63 THR cc_start: 0.7021 (p) cc_final: 0.6813 (t) REVERT: K 191 MET cc_start: 0.7685 (tpp) cc_final: 0.7457 (tpp) REVERT: K 520 MET cc_start: 0.1908 (mtt) cc_final: 0.0844 (ttt) REVERT: K 550 THR cc_start: 0.3724 (p) cc_final: 0.3428 (t) REVERT: K 562 HIS cc_start: 0.8001 (m90) cc_final: 0.7791 (m-70) REVERT: L 1685 TRP cc_start: 0.4048 (m100) cc_final: 0.3824 (m100) REVERT: M 354 PHE cc_start: 0.2519 (t80) cc_final: 0.2156 (m-10) REVERT: M 560 MET cc_start: 0.0440 (mtt) cc_final: -0.0060 (mtm) REVERT: M 606 MET cc_start: -0.1789 (mmt) cc_final: -0.2830 (mtp) REVERT: M 880 MET cc_start: 0.4004 (tpt) cc_final: 0.3800 (mmm) REVERT: b 112 GLU cc_start: 0.5604 (tp30) cc_final: 0.4890 (mm-30) REVERT: c 298 LEU cc_start: 0.6362 (mt) cc_final: 0.5808 (pp) REVERT: c 393 ARG cc_start: 0.7803 (ttm170) cc_final: 0.6632 (mmp80) REVERT: d 121 ILE cc_start: 0.5898 (mm) cc_final: 0.5552 (mm) REVERT: d 236 MET cc_start: 0.4895 (ttt) cc_final: 0.4512 (tpp) REVERT: d 291 LEU cc_start: 0.7505 (tp) cc_final: 0.6777 (tp) REVERT: e 294 MET cc_start: 0.5339 (mmm) cc_final: 0.4775 (ptm) REVERT: f 79 ASN cc_start: 0.7530 (m-40) cc_final: 0.6667 (t0) REVERT: g 291 LEU cc_start: 0.7419 (tp) cc_final: 0.7202 (tp) REVERT: i 304 MET cc_start: 0.6542 (mmt) cc_final: 0.6278 (mmp) REVERT: i 348 PHE cc_start: 0.7151 (p90) cc_final: 0.6890 (p90) REVERT: j 212 ARG cc_start: 0.5905 (mtt180) cc_final: 0.5046 (mmt180) REVERT: j 227 GLN cc_start: 0.4557 (tp40) cc_final: 0.3902 (tm-30) REVERT: j 378 MET cc_start: 0.4500 (mtt) cc_final: 0.4146 (mtt) REVERT: j 421 MET cc_start: -0.1350 (mmp) cc_final: -0.2047 (mtt) REVERT: k 236 MET cc_start: 0.3377 (mtp) cc_final: 0.3175 (mtt) REVERT: k 270 MET cc_start: 0.4979 (ptp) cc_final: 0.4773 (ptp) REVERT: k 378 MET cc_start: 0.4536 (tpp) cc_final: 0.3739 (mpp) REVERT: l 393 ARG cc_start: 0.6227 (mmp80) cc_final: 0.5993 (mmp-170) REVERT: m 304 MET cc_start: -0.2507 (ppp) cc_final: -0.4927 (mmt) REVERT: m 335 LYS cc_start: 0.6506 (ttmm) cc_final: 0.6060 (mmtt) REVERT: m 419 ASP cc_start: 0.4717 (t70) cc_final: 0.3217 (m-30) outliers start: 7 outliers final: 0 residues processed: 1247 average time/residue: 0.8816 time to fit residues: 1921.8264 Evaluate side-chains 864 residues out of total 11842 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 864 time to evaluate : 9.088 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1366 random chunks: chunk 1227 optimal weight: 10.0000 chunk 934 optimal weight: 9.9990 chunk 644 optimal weight: 0.6980 chunk 137 optimal weight: 0.9980 chunk 593 optimal weight: 10.0000 chunk 834 optimal weight: 9.9990 chunk 1247 optimal weight: 0.5980 chunk 1320 optimal weight: 20.0000 chunk 651 optimal weight: 8.9990 chunk 1182 optimal weight: 5.9990 chunk 355 optimal weight: 1.9990 overall best weight: 2.0584 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 486 ASN A 722 GLN ** B 259 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 500 GLN B 716 HIS ** C 350 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 472 GLN C 682 GLN C 722 GLN ** C 860 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 347 GLN ** E 241 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 264 GLN E 486 ASN E 540 HIS ** E 682 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 720 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 890 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 259 GLN ** F 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 705 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 350 GLN ** G 486 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 558 HIS ** G 682 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 576 HIS ** H 705 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 713 HIS H 852 HIS I 475 ASN ** J 362 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 822 ASN ** J 830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 475 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 492 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 518 ASN ** K 539 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 537 HIS M 337 GLN M 682 GLN a 139 HIS a 198 ASN a 227 GLN a 322 ASN b 115 HIS c 250 ASN e 299 GLN e 302 ASN ** e 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 357 GLN ** g 79 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 115 HIS g 250 ASN ** g 251 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 299 GLN ** h 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** i 115 HIS ** i 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** i 251 ASN j 115 HIS j 357 GLN ** k 207 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 251 ASN k 436 HIS ** l 332 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 12 GLN Total number of N/Q/H flips: 42 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5497 moved from start: 0.5313 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.060 108247 Z= 0.217 Angle : 0.600 16.586 146619 Z= 0.300 Chirality : 0.041 0.191 17029 Planarity : 0.004 0.078 18609 Dihedral : 4.819 120.669 14913 Min Nonbonded Distance : 2.090 Molprobity Statistics. All-atom Clashscore : 9.81 Ramachandran Plot: Outliers : 0.01 % Allowed : 3.64 % Favored : 96.35 % Rotamer: Outliers : 0.03 % Allowed : 2.79 % Favored : 97.18 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.95 (0.07), residues: 12561 helix: -0.05 (0.06), residues: 7616 sheet: -0.85 (0.15), residues: 1066 loop : -1.53 (0.10), residues: 3879 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.036 0.001 TRP G 353 HIS 0.015 0.001 HIS E 540 PHE 0.042 0.002 PHE L1733 TYR 0.028 0.001 TYR K 184 ARG 0.009 0.000 ARG D 311 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25122 Ramachandran restraints generated. 12561 Oldfield, 0 Emsley, 12561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25122 Ramachandran restraints generated. 12561 Oldfield, 0 Emsley, 12561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1167 residues out of total 11842 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1167 time to evaluate : 9.090 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 589 MET cc_start: 0.6948 (tpp) cc_final: 0.6462 (tpt) REVERT: B 268 MET cc_start: 0.5647 (tpp) cc_final: 0.5190 (tpt) REVERT: B 313 LEU cc_start: 0.7924 (tt) cc_final: 0.7492 (tt) REVERT: C 550 MET cc_start: 0.8055 (mpp) cc_final: 0.7021 (mpp) REVERT: C 589 MET cc_start: 0.6789 (mmm) cc_final: 0.6328 (tpt) REVERT: D 313 LEU cc_start: 0.7468 (tp) cc_final: 0.7026 (tt) REVERT: D 416 GLN cc_start: 0.8939 (tt0) cc_final: 0.7268 (tm-30) REVERT: D 431 TYR cc_start: 0.7929 (m-80) cc_final: 0.7666 (m-80) REVERT: D 755 LEU cc_start: 0.8772 (mp) cc_final: 0.8367 (tt) REVERT: E 343 ARG cc_start: 0.8491 (mmm160) cc_final: 0.7957 (tpp80) REVERT: E 457 ASP cc_start: 0.7556 (m-30) cc_final: 0.6982 (t0) REVERT: E 568 ARG cc_start: 0.7283 (mmt180) cc_final: 0.6991 (mmt90) REVERT: E 599 ASP cc_start: 0.8028 (p0) cc_final: 0.7386 (p0) REVERT: E 661 LYS cc_start: 0.8911 (ttpt) cc_final: 0.8550 (tptt) REVERT: F 296 GLU cc_start: 0.7957 (tp30) cc_final: 0.7709 (mm-30) REVERT: F 411 MET cc_start: 0.8598 (ttm) cc_final: 0.8279 (ttm) REVERT: F 416 GLN cc_start: 0.8279 (tt0) cc_final: 0.7059 (tm-30) REVERT: F 771 LEU cc_start: 0.8040 (mm) cc_final: 0.7808 (mm) REVERT: F 803 ARG cc_start: 0.7249 (mtm110) cc_final: 0.6818 (ttp-110) REVERT: F 886 TYR cc_start: 0.7147 (m-80) cc_final: 0.6831 (m-80) REVERT: G 275 LEU cc_start: 0.7621 (pt) cc_final: 0.7378 (pp) REVERT: G 457 ASP cc_start: 0.7228 (m-30) cc_final: 0.6539 (p0) REVERT: G 458 GLN cc_start: 0.7094 (tm-30) cc_final: 0.6698 (pm20) REVERT: G 726 MET cc_start: 0.7136 (ptt) cc_final: 0.6187 (ptt) REVERT: G 766 MET cc_start: 0.5376 (ptm) cc_final: 0.3548 (mpp) REVERT: G 790 MET cc_start: 0.5202 (tpp) cc_final: 0.4953 (ptm) REVERT: H 673 MET cc_start: 0.8551 (mmm) cc_final: 0.8047 (mmm) REVERT: H 689 LYS cc_start: 0.7289 (mtpp) cc_final: 0.6992 (mtpp) REVERT: H 728 GLU cc_start: 0.7921 (tp30) cc_final: 0.7609 (tp30) REVERT: H 782 ILE cc_start: 0.8593 (mt) cc_final: 0.7969 (mt) REVERT: I 1 MET cc_start: 0.8273 (tmm) cc_final: 0.8053 (ttm) REVERT: I 327 GLN cc_start: 0.8600 (mt0) cc_final: 0.8255 (tm-30) REVERT: I 344 MET cc_start: 0.8848 (tpp) cc_final: 0.7807 (ttt) REVERT: I 586 LEU cc_start: 0.8114 (mt) cc_final: 0.7650 (tp) REVERT: J 369 TYR cc_start: 0.7707 (t80) cc_final: 0.7495 (t80) REVERT: J 955 MET cc_start: 0.6962 (ptt) cc_final: 0.6419 (tpt) REVERT: K 191 MET cc_start: 0.7846 (tpp) cc_final: 0.7511 (tpp) REVERT: K 499 MET cc_start: 0.4743 (tpt) cc_final: 0.4381 (tpt) REVERT: K 520 MET cc_start: 0.1801 (mtt) cc_final: 0.0594 (ttt) REVERT: K 550 THR cc_start: 0.3985 (p) cc_final: 0.3716 (t) REVERT: K 562 HIS cc_start: 0.7896 (m90) cc_final: 0.7568 (m-70) REVERT: L 1504 HIS cc_start: 0.5125 (m-70) cc_final: 0.4827 (m-70) REVERT: M 354 PHE cc_start: 0.2349 (t80) cc_final: 0.2069 (m-10) REVERT: M 560 MET cc_start: 0.0612 (mtt) cc_final: 0.0233 (mtm) REVERT: M 606 MET cc_start: -0.1807 (mmt) cc_final: -0.2865 (mtp) REVERT: M 776 PHE cc_start: 0.2297 (t80) cc_final: 0.2028 (t80) REVERT: a 132 LEU cc_start: 0.4205 (tp) cc_final: 0.3955 (pt) REVERT: b 112 GLU cc_start: 0.5780 (tp30) cc_final: 0.4815 (mm-30) REVERT: b 217 ARG cc_start: 0.2980 (tpt-90) cc_final: 0.2456 (mmt180) REVERT: c 298 LEU cc_start: 0.6515 (mt) cc_final: 0.6052 (pp) REVERT: c 304 MET cc_start: 0.2069 (tpt) cc_final: 0.1694 (tpt) REVERT: c 321 LEU cc_start: 0.7819 (mt) cc_final: 0.7601 (pt) REVERT: c 377 MET cc_start: 0.6862 (tpp) cc_final: 0.6533 (tpp) REVERT: c 393 ARG cc_start: 0.7557 (ttm170) cc_final: 0.6607 (mmp80) REVERT: c 421 MET cc_start: 0.1966 (mpp) cc_final: 0.1644 (mtt) REVERT: d 236 MET cc_start: 0.4426 (ttt) cc_final: 0.4028 (tpp) REVERT: d 291 LEU cc_start: 0.7380 (tp) cc_final: 0.6863 (tp) REVERT: e 294 MET cc_start: 0.5029 (mmm) cc_final: 0.4809 (tpt) REVERT: f 4 GLU cc_start: 0.6896 (mt-10) cc_final: 0.6658 (mt-10) REVERT: f 299 GLN cc_start: 0.7003 (mt0) cc_final: 0.6652 (mm-40) REVERT: g 77 ILE cc_start: 0.7244 (mm) cc_final: 0.7025 (mm) REVERT: g 372 ARG cc_start: 0.5045 (mmm160) cc_final: 0.4212 (mtm180) REVERT: h 377 MET cc_start: 0.8312 (ttp) cc_final: 0.8055 (tmm) REVERT: i 431 LEU cc_start: 0.6589 (pp) cc_final: 0.6035 (mt) REVERT: j 79 ASN cc_start: 0.3645 (m-40) cc_final: 0.3000 (t0) REVERT: j 212 ARG cc_start: 0.5825 (mtt180) cc_final: 0.5028 (mmt180) REVERT: j 227 GLN cc_start: 0.4370 (tp40) cc_final: 0.3695 (tm-30) REVERT: j 421 MET cc_start: -0.1343 (mmp) cc_final: -0.2029 (mtt) REVERT: l 249 MET cc_start: 0.2838 (mtp) cc_final: 0.1667 (tpt) REVERT: l 393 ARG cc_start: 0.6202 (mmp80) cc_final: 0.5923 (mmp-170) REVERT: m 294 MET cc_start: 0.1428 (mtt) cc_final: 0.1188 (ptp) REVERT: m 304 MET cc_start: -0.1697 (ppp) cc_final: -0.4014 (mmt) REVERT: m 335 LYS cc_start: 0.6493 (ttmm) cc_final: 0.6040 (tptt) REVERT: m 417 ASN cc_start: 0.3038 (m110) cc_final: 0.2791 (m110) REVERT: m 419 ASP cc_start: 0.4492 (t70) cc_final: 0.2991 (m-30) outliers start: 0 outliers final: 0 residues processed: 1167 average time/residue: 0.8542 time to fit residues: 1746.2160 Evaluate side-chains 828 residues out of total 11842 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 828 time to evaluate : 8.159 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1366 random chunks: chunk 1099 optimal weight: 0.0030 chunk 749 optimal weight: 0.0020 chunk 19 optimal weight: 0.1980 chunk 983 optimal weight: 5.9990 chunk 544 optimal weight: 8.9990 chunk 1126 optimal weight: 5.9990 chunk 912 optimal weight: 7.9990 chunk 1 optimal weight: 10.0000 chunk 674 optimal weight: 20.0000 chunk 1185 optimal weight: 20.0000 chunk 333 optimal weight: 0.7980 overall best weight: 1.4000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 289 HIS A 317 ASN A 486 ASN A 722 GLN ** B 259 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 350 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 593 ASN C 682 GLN C 722 GLN E 241 GLN E 552 GLN ** E 682 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 720 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 890 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 461 HIS F 491 ASN F 702 HIS ** F 705 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** F 716 HIS ** G 486 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 722 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 705 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 716 HIS H 852 HIS J 362 GLN J 413 HIS J 482 HIS J 822 ASN ** J 830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 930 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 475 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 492 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 518 ASN ** K 539 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 542 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 289 HIS M 682 GLN b 229 ASN ** e 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 79 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 251 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 299 GLN h 332 GLN i 115 HIS ** i 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** j 15 ASN k 436 HIS ** l 187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 28 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5490 moved from start: 0.5610 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.085 108247 Z= 0.179 Angle : 0.569 11.590 146619 Z= 0.282 Chirality : 0.040 0.197 17029 Planarity : 0.004 0.091 18609 Dihedral : 4.614 120.100 14913 Min Nonbonded Distance : 2.096 Molprobity Statistics. All-atom Clashscore : 9.04 Ramachandran Plot: Outliers : 0.01 % Allowed : 3.59 % Favored : 96.40 % Rotamer: Outliers : 0.05 % Allowed : 2.35 % Favored : 97.60 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.53 (0.08), residues: 12561 helix: 0.32 (0.06), residues: 7615 sheet: -0.65 (0.15), residues: 1050 loop : -1.44 (0.10), residues: 3896 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.037 0.001 TRP L1685 HIS 0.007 0.001 HIS f 381 PHE 0.037 0.001 PHE L1733 TYR 0.038 0.001 TYR G 432 ARG 0.009 0.000 ARG M 588 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25122 Ramachandran restraints generated. 12561 Oldfield, 0 Emsley, 12561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25122 Ramachandran restraints generated. 12561 Oldfield, 0 Emsley, 12561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1131 residues out of total 11842 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 1129 time to evaluate : 9.105 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: A 589 MET cc_start: 0.7085 (tpp) cc_final: 0.6579 (tpt) REVERT: B 268 MET cc_start: 0.5798 (tpp) cc_final: 0.5317 (tpt) REVERT: B 411 MET cc_start: 0.6713 (tmm) cc_final: 0.6410 (tmm) REVERT: B 843 MET cc_start: 0.6158 (ppp) cc_final: 0.5918 (ppp) REVERT: C 387 LEU cc_start: 0.8917 (mt) cc_final: 0.8642 (tp) REVERT: C 550 MET cc_start: 0.8151 (mpp) cc_final: 0.7358 (mpp) REVERT: C 589 MET cc_start: 0.6926 (mmm) cc_final: 0.6408 (tpt) REVERT: C 606 MET cc_start: 0.6785 (tpp) cc_final: 0.6536 (mmt) REVERT: C 722 GLN cc_start: 0.7375 (mt0) cc_final: 0.7108 (mt0) REVERT: C 780 MET cc_start: 0.7894 (mmm) cc_final: 0.7555 (mmm) REVERT: D 313 LEU cc_start: 0.7621 (tp) cc_final: 0.7225 (tt) REVERT: D 315 ARG cc_start: 0.7201 (tpt90) cc_final: 0.6171 (tpt170) REVERT: D 416 GLN cc_start: 0.8905 (tt0) cc_final: 0.7214 (tm-30) REVERT: D 431 TYR cc_start: 0.7923 (m-80) cc_final: 0.7696 (m-80) REVERT: D 559 MET cc_start: 0.8180 (mmm) cc_final: 0.7536 (tpp) REVERT: D 673 MET cc_start: 0.8067 (mmt) cc_final: 0.7385 (mmm) REVERT: D 677 LEU cc_start: 0.6837 (tp) cc_final: 0.6463 (tp) REVERT: D 755 LEU cc_start: 0.8802 (mp) cc_final: 0.8368 (tt) REVERT: E 343 ARG cc_start: 0.8484 (mmm160) cc_final: 0.8039 (tpp80) REVERT: E 457 ASP cc_start: 0.7529 (m-30) cc_final: 0.7024 (t0) REVERT: E 552 GLN cc_start: 0.6333 (OUTLIER) cc_final: 0.5639 (mm110) REVERT: E 568 ARG cc_start: 0.7316 (mmt180) cc_final: 0.6989 (mmt90) REVERT: E 599 ASP cc_start: 0.8114 (p0) cc_final: 0.7590 (p0) REVERT: E 661 LYS cc_start: 0.8939 (ttpt) cc_final: 0.8573 (tptt) REVERT: F 404 THR cc_start: 0.6467 (m) cc_final: 0.6087 (p) REVERT: F 411 MET cc_start: 0.8681 (ttm) cc_final: 0.8403 (ttm) REVERT: F 416 GLN cc_start: 0.8253 (tt0) cc_final: 0.7046 (tm-30) REVERT: F 803 ARG cc_start: 0.7072 (mtm110) cc_final: 0.6693 (ttp-110) REVERT: F 843 MET cc_start: 0.8329 (mpp) cc_final: 0.7801 (mpp) REVERT: G 457 ASP cc_start: 0.7369 (m-30) cc_final: 0.6615 (p0) REVERT: G 585 LEU cc_start: 0.5974 (tp) cc_final: 0.5760 (pp) REVERT: G 766 MET cc_start: 0.5393 (ptm) cc_final: 0.3907 (mpp) REVERT: H 333 ARG cc_start: 0.7641 (mtm180) cc_final: 0.7439 (mtp180) REVERT: H 551 LYS cc_start: 0.8791 (mmpt) cc_final: 0.8584 (mmtp) REVERT: H 689 LYS cc_start: 0.7332 (mtpp) cc_final: 0.7063 (mtpp) REVERT: H 728 GLU cc_start: 0.7921 (tp30) cc_final: 0.7604 (tp30) REVERT: H 782 ILE cc_start: 0.8569 (mt) cc_final: 0.7800 (mt) REVERT: H 800 LEU cc_start: 0.9132 (tt) cc_final: 0.8862 (pp) REVERT: I 327 GLN cc_start: 0.8603 (mt0) cc_final: 0.8300 (tm-30) REVERT: I 344 MET cc_start: 0.8857 (tpp) cc_final: 0.8239 (ttt) REVERT: I 455 SER cc_start: 0.8338 (m) cc_final: 0.7959 (p) REVERT: I 562 HIS cc_start: 0.8340 (t70) cc_final: 0.8118 (m-70) REVERT: I 586 LEU cc_start: 0.8117 (mt) cc_final: 0.7578 (tt) REVERT: J 362 GLN cc_start: 0.7812 (OUTLIER) cc_final: 0.7272 (tt0) REVERT: J 369 TYR cc_start: 0.7411 (t80) cc_final: 0.7204 (t80) REVERT: J 955 MET cc_start: 0.7013 (ptt) cc_final: 0.6430 (tpt) REVERT: K 191 MET cc_start: 0.7818 (tpp) cc_final: 0.7566 (tpp) REVERT: K 379 MET cc_start: 0.5630 (tmm) cc_final: 0.5407 (tmm) REVERT: K 499 MET cc_start: 0.4653 (tpt) cc_final: 0.4260 (tpt) REVERT: K 520 MET cc_start: 0.1779 (mtt) cc_final: 0.0596 (ttt) REVERT: M 560 MET cc_start: 0.0305 (mtt) cc_final: -0.0120 (mtm) REVERT: M 606 MET cc_start: -0.1613 (mmt) cc_final: -0.2720 (mtp) REVERT: M 776 PHE cc_start: 0.2278 (t80) cc_final: 0.2024 (t80) REVERT: a 377 MET cc_start: 0.5390 (ptm) cc_final: 0.5035 (ptp) REVERT: b 112 GLU cc_start: 0.5746 (tp30) cc_final: 0.4982 (mm-30) REVERT: c 298 LEU cc_start: 0.6539 (mt) cc_final: 0.6061 (pp) REVERT: c 304 MET cc_start: 0.1668 (tpt) cc_final: 0.1113 (tpp) REVERT: c 377 MET cc_start: 0.7390 (tpp) cc_final: 0.6830 (tpp) REVERT: c 393 ARG cc_start: 0.7523 (ttm170) cc_final: 0.6592 (mmp80) REVERT: c 421 MET cc_start: 0.2551 (mpp) cc_final: 0.1801 (mtt) REVERT: d 236 MET cc_start: 0.4507 (ttt) cc_final: 0.4101 (tpp) REVERT: d 291 LEU cc_start: 0.7383 (tp) cc_final: 0.6932 (tp) REVERT: d 399 ARG cc_start: 0.6487 (tpp80) cc_final: 0.6236 (tpm170) REVERT: e 294 MET cc_start: 0.5242 (mmm) cc_final: 0.4417 (ptp) REVERT: f 270 MET cc_start: 0.5352 (ptp) cc_final: 0.4981 (ptt) REVERT: f 299 GLN cc_start: 0.6937 (mt0) cc_final: 0.6601 (mm-40) REVERT: g 77 ILE cc_start: 0.7343 (mm) cc_final: 0.7107 (mm) REVERT: g 372 ARG cc_start: 0.5499 (mmm160) cc_final: 0.4434 (mtm180) REVERT: i 431 LEU cc_start: 0.6123 (pp) cc_final: 0.5404 (mp) REVERT: j 79 ASN cc_start: 0.3706 (m-40) cc_final: 0.3122 (t0) REVERT: j 212 ARG cc_start: 0.5913 (mtt180) cc_final: 0.5032 (mmt180) REVERT: j 227 GLN cc_start: 0.4385 (tp40) cc_final: 0.3668 (tm-30) REVERT: j 271 THR cc_start: 0.3280 (p) cc_final: 0.2928 (p) REVERT: j 421 MET cc_start: -0.1357 (mmp) cc_final: -0.1960 (mtt) REVERT: l 249 MET cc_start: 0.2670 (mtp) cc_final: 0.1858 (tpt) REVERT: l 270 MET cc_start: 0.2849 (mpp) cc_final: 0.1248 (ptt) REVERT: l 271 THR cc_start: 0.2114 (p) cc_final: 0.1798 (t) REVERT: m 304 MET cc_start: -0.1673 (ppp) cc_final: -0.4396 (mmt) REVERT: m 335 LYS cc_start: 0.6414 (ttmm) cc_final: 0.6030 (tptt) REVERT: m 417 ASN cc_start: 0.3064 (m110) cc_final: 0.2836 (m110) REVERT: m 419 ASP cc_start: 0.3552 (t70) cc_final: 0.2410 (m-30) outliers start: 2 outliers final: 0 residues processed: 1131 average time/residue: 0.8743 time to fit residues: 1736.0237 Evaluate side-chains 836 residues out of total 11842 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 834 time to evaluate : 9.098 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1366 random chunks: chunk 444 optimal weight: 0.6980 chunk 1189 optimal weight: 5.9990 chunk 260 optimal weight: 7.9990 chunk 775 optimal weight: 50.0000 chunk 325 optimal weight: 4.9990 chunk 1321 optimal weight: 10.0000 chunk 1097 optimal weight: 7.9990 chunk 611 optimal weight: 10.0000 chunk 109 optimal weight: 8.9990 chunk 437 optimal weight: 0.0770 chunk 693 optimal weight: 40.0000 overall best weight: 3.9544 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 289 HIS A 486 ASN A 722 GLN ** A 890 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 259 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 494 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 684 HIS ** B 717 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 350 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 682 GLN ** D 322 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 429 HIS E 667 GLN ** E 720 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 890 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 259 GLN ** F 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 705 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 350 GLN ** G 486 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 722 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 684 HIS H 717 GLN H 852 HIS I 82 HIS I 463 HIS ** J 362 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 482 HIS J 822 ASN ** J 830 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 475 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 518 ASN ** K 539 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 542 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L1568 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** M 558 HIS M 672 HIS M 682 GLN ** M 753 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** a 325 GLN b 139 HIS b 251 ASN ** b 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 302 ASN ** e 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 198 ASN g 16 GLN ** g 79 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 250 ASN ** g 251 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 299 GLN ** h 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** h 357 GLN i 115 HIS ** i 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** i 302 ASN i 325 GLN j 115 HIS ** k 207 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 436 HIS ** l 187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 325 GLN ** l 332 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 29 HIS Total number of N/Q/H flips: 36 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5621 moved from start: 0.6235 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.153 108247 Z= 0.352 Angle : 0.704 13.644 146619 Z= 0.351 Chirality : 0.045 0.287 17029 Planarity : 0.005 0.082 18609 Dihedral : 4.965 118.967 14913 Min Nonbonded Distance : 1.989 Molprobity Statistics. All-atom Clashscore : 11.18 Ramachandran Plot: Outliers : 0.02 % Allowed : 4.69 % Favored : 95.29 % Rotamer: Outliers : 0.03 % Allowed : 2.68 % Favored : 97.30 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.64 (0.08), residues: 12561 helix: 0.25 (0.06), residues: 7649 sheet: -0.81 (0.15), residues: 1100 loop : -1.50 (0.10), residues: 3812 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.044 0.002 TRP e 104 HIS 0.016 0.002 HIS G 558 PHE 0.039 0.002 PHE H 779 TYR 0.048 0.002 TYR G 432 ARG 0.010 0.001 ARG B 761 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25122 Ramachandran restraints generated. 12561 Oldfield, 0 Emsley, 12561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25122 Ramachandran restraints generated. 12561 Oldfield, 0 Emsley, 12561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1061 residues out of total 11842 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1061 time to evaluate : 9.146 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: A 589 MET cc_start: 0.7053 (tpp) cc_final: 0.6556 (tpt) REVERT: B 313 LEU cc_start: 0.7863 (tt) cc_final: 0.7399 (tt) REVERT: B 843 MET cc_start: 0.6250 (ppp) cc_final: 0.5853 (ppp) REVERT: C 387 LEU cc_start: 0.8914 (mt) cc_final: 0.8501 (tp) REVERT: C 550 MET cc_start: 0.8076 (mpp) cc_final: 0.7165 (mpp) REVERT: C 589 MET cc_start: 0.7132 (mmm) cc_final: 0.6655 (tpt) REVERT: C 606 MET cc_start: 0.6772 (tpp) cc_final: 0.6491 (mmt) REVERT: C 673 MET cc_start: 0.7590 (tpp) cc_final: 0.7274 (tpp) REVERT: D 313 LEU cc_start: 0.7614 (tp) cc_final: 0.7214 (tt) REVERT: D 315 ARG cc_start: 0.7420 (tpt90) cc_final: 0.6924 (tpt170) REVERT: D 416 GLN cc_start: 0.9048 (tt0) cc_final: 0.7442 (tm-30) REVERT: D 562 MET cc_start: 0.7408 (ttm) cc_final: 0.6995 (ttm) REVERT: D 673 MET cc_start: 0.7935 (mmt) cc_final: 0.7359 (mmm) REVERT: D 685 MET cc_start: 0.5691 (tpt) cc_final: 0.5273 (tpt) REVERT: D 755 LEU cc_start: 0.8796 (mp) cc_final: 0.8380 (tt) REVERT: E 257 ASP cc_start: 0.8794 (t0) cc_final: 0.8587 (t0) REVERT: E 343 ARG cc_start: 0.8565 (mmm160) cc_final: 0.8332 (tpp80) REVERT: E 457 ASP cc_start: 0.7514 (m-30) cc_final: 0.6968 (t0) REVERT: E 599 ASP cc_start: 0.8098 (p0) cc_final: 0.7516 (p0) REVERT: E 730 MET cc_start: 0.7157 (mmm) cc_final: 0.6631 (mmt) REVERT: F 315 ARG cc_start: 0.7374 (mmt180) cc_final: 0.7147 (tpt170) REVERT: F 416 GLN cc_start: 0.8409 (tt0) cc_final: 0.7156 (tm-30) REVERT: F 843 MET cc_start: 0.8241 (mpp) cc_final: 0.7852 (mpp) REVERT: G 766 MET cc_start: 0.6210 (ptm) cc_final: 0.4218 (mpp) REVERT: H 551 LYS cc_start: 0.9009 (mmpt) cc_final: 0.8803 (mmtp) REVERT: H 677 LEU cc_start: 0.8572 (mt) cc_final: 0.8371 (mt) REVERT: H 800 LEU cc_start: 0.9072 (tt) cc_final: 0.8786 (pp) REVERT: I 327 GLN cc_start: 0.8572 (mt0) cc_final: 0.8265 (tm-30) REVERT: I 355 LYS cc_start: 0.9102 (tppt) cc_final: 0.8542 (mtpt) REVERT: I 455 SER cc_start: 0.8265 (m) cc_final: 0.8047 (p) REVERT: I 562 HIS cc_start: 0.8548 (t70) cc_final: 0.8153 (m-70) REVERT: I 586 LEU cc_start: 0.8353 (mt) cc_final: 0.7744 (tt) REVERT: J 369 TYR cc_start: 0.7736 (t80) cc_final: 0.7030 (t80) REVERT: J 482 HIS cc_start: 0.6944 (m90) cc_final: 0.6586 (m-70) REVERT: J 955 MET cc_start: 0.7080 (ptt) cc_final: 0.6450 (tpt) REVERT: K 191 MET cc_start: 0.8028 (tpp) cc_final: 0.7804 (tpp) REVERT: K 340 LEU cc_start: 0.9039 (tp) cc_final: 0.8774 (tp) REVERT: K 379 MET cc_start: 0.5540 (tmm) cc_final: 0.5327 (tmm) REVERT: K 499 MET cc_start: 0.4461 (tpt) cc_final: 0.3962 (tpt) REVERT: M 560 MET cc_start: 0.0734 (mtt) cc_final: 0.0445 (mtm) REVERT: M 606 MET cc_start: -0.1813 (mmt) cc_final: -0.3301 (mtp) REVERT: a 377 MET cc_start: 0.5524 (ptm) cc_final: 0.5257 (ptp) REVERT: b 112 GLU cc_start: 0.6218 (tp30) cc_final: 0.5529 (mm-30) REVERT: b 217 ARG cc_start: 0.3386 (tpt-90) cc_final: 0.3111 (mmt180) REVERT: b 294 MET cc_start: 0.4529 (ptt) cc_final: 0.4233 (ppp) REVERT: c 304 MET cc_start: 0.1205 (tpt) cc_final: 0.0568 (tpp) REVERT: c 377 MET cc_start: 0.7374 (tpp) cc_final: 0.7032 (tpp) REVERT: d 236 MET cc_start: 0.4766 (ttt) cc_final: 0.4252 (tpp) REVERT: d 291 LEU cc_start: 0.7411 (tp) cc_final: 0.6882 (tp) REVERT: d 400 LYS cc_start: 0.3674 (mmmt) cc_final: 0.2893 (mmtp) REVERT: e 294 MET cc_start: 0.5542 (mmm) cc_final: 0.4453 (ptm) REVERT: e 304 MET cc_start: 0.4049 (tpp) cc_final: 0.3757 (tpp) REVERT: e 421 MET cc_start: 0.2548 (mmm) cc_final: 0.1363 (mpp) REVERT: f 270 MET cc_start: 0.5452 (ptp) cc_final: 0.5184 (ptt) REVERT: g 372 ARG cc_start: 0.6079 (mmm160) cc_final: 0.4788 (mtm180) REVERT: h 377 MET cc_start: 0.8265 (ttp) cc_final: 0.7572 (tmm) REVERT: h 378 MET cc_start: 0.7473 (ttm) cc_final: 0.7134 (ttm) REVERT: i 431 LEU cc_start: 0.6107 (pp) cc_final: 0.5419 (mm) REVERT: j 79 ASN cc_start: 0.4212 (m-40) cc_final: 0.3565 (t0) REVERT: j 212 ARG cc_start: 0.6300 (mtt180) cc_final: 0.5338 (mmt180) REVERT: j 227 GLN cc_start: 0.4242 (tp40) cc_final: 0.3454 (tm-30) REVERT: j 421 MET cc_start: -0.1284 (mmp) cc_final: -0.1884 (mtt) REVERT: l 249 MET cc_start: 0.3578 (mtp) cc_final: 0.2700 (tpt) REVERT: l 270 MET cc_start: 0.2818 (mpp) cc_final: 0.1173 (ptt) REVERT: l 271 THR cc_start: 0.2460 (p) cc_final: 0.1330 (t) REVERT: l 393 ARG cc_start: 0.6458 (mmp80) cc_final: 0.5392 (mmt90) REVERT: m 294 MET cc_start: 0.1750 (mtt) cc_final: 0.1327 (ptp) REVERT: m 304 MET cc_start: -0.1809 (ppp) cc_final: -0.4456 (mmt) REVERT: m 335 LYS cc_start: 0.6460 (ttmm) cc_final: 0.5955 (tptt) REVERT: m 417 ASN cc_start: 0.3237 (m110) cc_final: 0.2997 (m110) REVERT: m 419 ASP cc_start: 0.3464 (t70) cc_final: 0.2518 (m-30) outliers start: 0 outliers final: 0 residues processed: 1061 average time/residue: 0.8613 time to fit residues: 1610.9703 Evaluate side-chains 799 residues out of total 11842 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 799 time to evaluate : 9.078 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1366 random chunks: chunk 1274 optimal weight: 8.9990 chunk 148 optimal weight: 0.9990 chunk 753 optimal weight: 30.0000 chunk 965 optimal weight: 5.9990 chunk 747 optimal weight: 50.0000 chunk 1112 optimal weight: 1.9990 chunk 738 optimal weight: 40.0000 chunk 1316 optimal weight: 20.0000 chunk 823 optimal weight: 40.0000 chunk 802 optimal weight: 10.0000 chunk 607 optimal weight: 5.9990 overall best weight: 4.7990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 340 GLN A 486 ASN ** A 720 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 722 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 890 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 259 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 401 HIS B 444 HIS ** B 494 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 684 HIS ** B 717 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 350 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 486 ASN C 667 GLN C 682 GLN ** D 259 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 322 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 713 HIS D 781 GLN E 678 HIS ** E 890 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 570 GLN ** F 705 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 716 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 486 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 552 GLN ** G 667 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 719 GLN ** G 722 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 791 GLN G 890 ASN H 329 HIS ** H 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 684 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 705 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 713 HIS I 393 ASN ** J 362 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 822 ASN K 401 HIS K 421 HIS ** K 475 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 492 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 518 ASN ** K 539 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L1568 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L1805 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 682 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 187 ASN ** b 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 322 ASN ** e 430 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 299 GLN ** g 79 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 251 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 322 ASN ** h 219 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** h 332 GLN ** i 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 207 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 219 HIS ** k 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 332 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 29 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5682 moved from start: 0.6939 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.094 108247 Z= 0.390 Angle : 0.738 13.958 146619 Z= 0.371 Chirality : 0.047 0.420 17029 Planarity : 0.005 0.085 18609 Dihedral : 5.257 127.854 14913 Min Nonbonded Distance : 2.084 Molprobity Statistics. All-atom Clashscore : 12.54 Ramachandran Plot: Outliers : 0.01 % Allowed : 4.84 % Favored : 95.15 % Rotamer: Outliers : 0.04 % Allowed : 2.46 % Favored : 97.50 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.01 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.78 (0.08), residues: 12561 helix: 0.14 (0.06), residues: 7673 sheet: -0.76 (0.16), residues: 1003 loop : -1.61 (0.10), residues: 3885 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.053 0.002 TRP e 104 HIS 0.026 0.002 HIS d 334 PHE 0.042 0.002 PHE I 203 TYR 0.042 0.002 TYR G 432 ARG 0.011 0.001 ARG K 647 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25122 Ramachandran restraints generated. 12561 Oldfield, 0 Emsley, 12561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25122 Ramachandran restraints generated. 12561 Oldfield, 0 Emsley, 12561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1034 residues out of total 11842 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 1033 time to evaluate : 9.275 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: A 324 MET cc_start: 0.7198 (mtp) cc_final: 0.6997 (mtp) REVERT: A 363 MET cc_start: 0.5302 (tmm) cc_final: 0.4307 (ttp) REVERT: A 589 MET cc_start: 0.7069 (tpp) cc_final: 0.6642 (tpt) REVERT: A 730 MET cc_start: 0.7445 (mpp) cc_final: 0.6719 (mpp) REVERT: B 268 MET cc_start: 0.5222 (tpt) cc_final: 0.4940 (tmm) REVERT: B 406 THR cc_start: 0.7585 (t) cc_final: 0.6827 (t) REVERT: B 721 TYR cc_start: 0.7105 (t80) cc_final: 0.6805 (t80) REVERT: B 843 MET cc_start: 0.6547 (ppp) cc_final: 0.6163 (ppp) REVERT: C 387 LEU cc_start: 0.8904 (mt) cc_final: 0.8524 (tp) REVERT: C 550 MET cc_start: 0.8021 (mpp) cc_final: 0.7026 (mpp) REVERT: C 552 GLN cc_start: 0.6647 (mm110) cc_final: 0.5755 (tt0) REVERT: C 589 MET cc_start: 0.6734 (mmm) cc_final: 0.6256 (tpt) REVERT: D 313 LEU cc_start: 0.7651 (tp) cc_final: 0.7322 (tt) REVERT: D 315 ARG cc_start: 0.7358 (tpt90) cc_final: 0.6747 (tpt170) REVERT: D 416 GLN cc_start: 0.9071 (tt0) cc_final: 0.7424 (tm-30) REVERT: D 562 MET cc_start: 0.7334 (ttm) cc_final: 0.6864 (ttm) REVERT: D 673 MET cc_start: 0.7889 (mmt) cc_final: 0.7111 (mtt) REVERT: D 755 LEU cc_start: 0.8767 (mp) cc_final: 0.8449 (tt) REVERT: D 875 PHE cc_start: 0.5401 (m-10) cc_final: 0.5166 (m-10) REVERT: E 257 ASP cc_start: 0.8800 (t0) cc_final: 0.8556 (t0) REVERT: E 457 ASP cc_start: 0.7464 (m-30) cc_final: 0.6958 (t0) REVERT: E 599 ASP cc_start: 0.8164 (p0) cc_final: 0.7757 (p0) REVERT: E 661 LYS cc_start: 0.8824 (ttpt) cc_final: 0.8579 (tptt) REVERT: E 730 MET cc_start: 0.7556 (mmm) cc_final: 0.6721 (mmt) REVERT: F 315 ARG cc_start: 0.7361 (mmt180) cc_final: 0.7141 (tpt170) REVERT: F 411 MET cc_start: 0.8593 (ttm) cc_final: 0.8159 (ttm) REVERT: F 416 GLN cc_start: 0.8419 (tt0) cc_final: 0.7115 (tm-30) REVERT: F 843 MET cc_start: 0.8356 (mpp) cc_final: 0.7882 (mpp) REVERT: G 281 ASP cc_start: 0.7321 (m-30) cc_final: 0.7053 (m-30) REVERT: G 456 TRP cc_start: 0.7782 (m100) cc_final: 0.5322 (p-90) REVERT: G 528 LEU cc_start: 0.7171 (tt) cc_final: 0.6819 (tp) REVERT: G 651 LYS cc_start: 0.7941 (ptpt) cc_final: 0.7467 (mmtm) REVERT: G 766 MET cc_start: 0.6058 (ptm) cc_final: 0.4896 (mpp) REVERT: H 535 ASP cc_start: 0.8797 (m-30) cc_final: 0.8526 (m-30) REVERT: I 327 GLN cc_start: 0.8593 (mt0) cc_final: 0.8309 (tm-30) REVERT: I 344 MET cc_start: 0.8918 (tpp) cc_final: 0.8174 (ttt) REVERT: I 355 LYS cc_start: 0.9189 (tppt) cc_final: 0.8732 (mtpt) REVERT: I 463 HIS cc_start: 0.7049 (m170) cc_final: 0.6833 (m90) REVERT: I 562 HIS cc_start: 0.8572 (t70) cc_final: 0.8195 (m-70) REVERT: I 586 LEU cc_start: 0.8465 (mt) cc_final: 0.7695 (tt) REVERT: J 955 MET cc_start: 0.7232 (ptt) cc_final: 0.6469 (tpt) REVERT: K 191 MET cc_start: 0.8096 (tpp) cc_final: 0.7854 (tpp) REVERT: K 499 MET cc_start: 0.4391 (tpt) cc_final: 0.3862 (tpt) REVERT: M 560 MET cc_start: 0.0609 (mtt) cc_final: 0.0298 (mtm) REVERT: M 776 PHE cc_start: 0.2747 (t80) cc_final: 0.2395 (t80) REVERT: M 790 MET cc_start: -0.1037 (tpt) cc_final: -0.1574 (tpt) REVERT: a 270 MET cc_start: 0.4199 (ptm) cc_final: 0.3720 (mtm) REVERT: b 294 MET cc_start: 0.4873 (ptt) cc_final: 0.4481 (ppp) REVERT: c 51 PHE cc_start: 0.5539 (m-80) cc_final: 0.5081 (m-80) REVERT: c 304 MET cc_start: 0.1183 (tpt) cc_final: 0.0399 (tpp) REVERT: c 376 LEU cc_start: 0.7328 (pp) cc_final: 0.7091 (pp) REVERT: c 377 MET cc_start: 0.7343 (tpp) cc_final: 0.6983 (tpp) REVERT: c 421 MET cc_start: 0.1701 (mpp) cc_final: 0.1227 (mtt) REVERT: d 236 MET cc_start: 0.4421 (ttt) cc_final: 0.3817 (tpp) REVERT: d 291 LEU cc_start: 0.7592 (tp) cc_final: 0.7183 (tp) REVERT: e 294 MET cc_start: 0.5699 (mmm) cc_final: 0.5381 (mmp) REVERT: e 304 MET cc_start: 0.4069 (tpp) cc_final: 0.3185 (mtt) REVERT: f 270 MET cc_start: 0.5593 (ptp) cc_final: 0.5358 (ptt) REVERT: h 397 LYS cc_start: 0.8183 (mttm) cc_final: 0.7611 (pttp) REVERT: j 79 ASN cc_start: 0.4945 (m-40) cc_final: 0.4271 (t0) REVERT: j 120 ASP cc_start: 0.5464 (m-30) cc_final: 0.4669 (p0) REVERT: j 212 ARG cc_start: 0.6388 (mtt180) cc_final: 0.5410 (mmt180) REVERT: j 421 MET cc_start: -0.1575 (mmp) cc_final: -0.1924 (mtm) REVERT: k 253 LEU cc_start: 0.4674 (pt) cc_final: 0.4437 (tt) REVERT: k 377 MET cc_start: 0.3606 (mtt) cc_final: 0.3363 (tmm) REVERT: l 270 MET cc_start: 0.2453 (mpp) cc_final: 0.0927 (ptt) REVERT: l 393 ARG cc_start: 0.6498 (mmp80) cc_final: 0.5551 (mmt90) REVERT: l 421 MET cc_start: 0.1769 (ptm) cc_final: 0.0957 (ppp) REVERT: m 124 ARG cc_start: 0.3612 (ptm-80) cc_final: 0.2723 (tpp-160) REVERT: m 304 MET cc_start: -0.1781 (ppp) cc_final: -0.4680 (mmt) REVERT: m 335 LYS cc_start: 0.6501 (ttmm) cc_final: 0.5964 (mmtt) outliers start: 1 outliers final: 0 residues processed: 1034 average time/residue: 0.8763 time to fit residues: 1597.4247 Evaluate side-chains 770 residues out of total 11842 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 770 time to evaluate : 8.355 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1366 random chunks: chunk 814 optimal weight: 30.0000 chunk 525 optimal weight: 8.9990 chunk 786 optimal weight: 50.0000 chunk 396 optimal weight: 0.6980 chunk 258 optimal weight: 7.9990 chunk 255 optimal weight: 8.9990 chunk 837 optimal weight: 9.9990 chunk 896 optimal weight: 8.9990 chunk 650 optimal weight: 6.9990 chunk 122 optimal weight: 5.9990 chunk 1034 optimal weight: 9.9990 overall best weight: 6.1388 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 486 ASN ** B 259 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 494 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 684 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 717 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 264 GLN ** C 350 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 552 GLN C 682 GLN ** D 322 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 781 GLN ** D 805 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 722 GLN ** E 890 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 643 HIS ** F 705 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 464 GLN ** G 486 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 558 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 722 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 890 ASN H 329 HIS ** H 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 705 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 822 ASN K 353 GLN K 459 GLN K 518 ASN ** K 539 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L1568 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L1625 GLN L1702 GLN ** L1761 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L1805 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 388 HIS M 672 HIS M 682 GLN M 712 GLN a 314 ASN ** b 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 251 ASN d 115 HIS d 299 GLN d 302 ASN ** e 332 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 15 ASN g 115 HIS ** g 251 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 315 HIS h 251 ASN ** i 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** j 115 HIS ** j 207 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 54 GLN ** k 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 187 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 332 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 381 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 31 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5753 moved from start: 0.7587 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.008 0.117 108247 Z= 0.497 Angle : 0.846 21.249 146619 Z= 0.423 Chirality : 0.050 0.441 17029 Planarity : 0.006 0.089 18609 Dihedral : 5.680 129.098 14913 Min Nonbonded Distance : 2.017 Molprobity Statistics. All-atom Clashscore : 14.72 Ramachandran Plot: Outliers : 0.01 % Allowed : 5.87 % Favored : 94.12 % Rotamer: Outliers : 0.05 % Allowed : 1.83 % Favored : 98.12 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.02 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.12 (0.07), residues: 12561 helix: -0.09 (0.06), residues: 7641 sheet: -0.96 (0.16), residues: 975 loop : -1.80 (0.10), residues: 3945 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.054 0.003 TRP e 104 HIS 0.025 0.002 HIS B 716 PHE 0.047 0.003 PHE I 33 TYR 0.054 0.003 TYR E 251 ARG 0.012 0.001 ARG h 401 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25122 Ramachandran restraints generated. 12561 Oldfield, 0 Emsley, 12561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25122 Ramachandran restraints generated. 12561 Oldfield, 0 Emsley, 12561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 977 residues out of total 11842 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 975 time to evaluate : 9.268 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: A 589 MET cc_start: 0.7010 (tpp) cc_final: 0.6756 (tpt) REVERT: A 725 MET cc_start: 0.5804 (mmm) cc_final: 0.5591 (mmp) REVERT: A 730 MET cc_start: 0.7415 (mpp) cc_final: 0.4911 (ptp) REVERT: C 387 LEU cc_start: 0.8900 (mt) cc_final: 0.8535 (tp) REVERT: C 550 MET cc_start: 0.8060 (mpp) cc_final: 0.7077 (mpp) REVERT: C 552 GLN cc_start: 0.6676 (mm-40) cc_final: 0.6030 (tt0) REVERT: C 589 MET cc_start: 0.6915 (mmm) cc_final: 0.6485 (tpt) REVERT: D 315 ARG cc_start: 0.6771 (tpt90) cc_final: 0.6303 (tpt170) REVERT: D 416 GLN cc_start: 0.9194 (tt0) cc_final: 0.7603 (tm-30) REVERT: D 673 MET cc_start: 0.7767 (mmt) cc_final: 0.6959 (mtt) REVERT: D 755 LEU cc_start: 0.8951 (mp) cc_final: 0.8432 (tt) REVERT: D 875 PHE cc_start: 0.5883 (m-10) cc_final: 0.5133 (m-10) REVERT: E 257 ASP cc_start: 0.8858 (t0) cc_final: 0.8648 (t0) REVERT: E 457 ASP cc_start: 0.7924 (m-30) cc_final: 0.7146 (t0) REVERT: E 599 ASP cc_start: 0.8350 (p0) cc_final: 0.8128 (p0) REVERT: E 730 MET cc_start: 0.7795 (mmm) cc_final: 0.7450 (mmt) REVERT: F 315 ARG cc_start: 0.7273 (mmt180) cc_final: 0.6950 (tpt170) REVERT: F 416 GLN cc_start: 0.8464 (tt0) cc_final: 0.7179 (tm-30) REVERT: F 465 THR cc_start: 0.7868 (m) cc_final: 0.6964 (p) REVERT: F 843 MET cc_start: 0.8260 (mpp) cc_final: 0.7968 (mpp) REVERT: G 281 ASP cc_start: 0.7621 (m-30) cc_final: 0.7378 (m-30) REVERT: G 580 GLU cc_start: 0.7860 (pp20) cc_final: 0.7549 (tt0) REVERT: G 651 LYS cc_start: 0.8117 (ptpt) cc_final: 0.7773 (mmtm) REVERT: G 661 LYS cc_start: 0.8276 (ptpp) cc_final: 0.8018 (tppt) REVERT: H 310 GLN cc_start: 0.7510 (mm110) cc_final: 0.7029 (mt0) REVERT: I 327 GLN cc_start: 0.8585 (mt0) cc_final: 0.8229 (tm-30) REVERT: I 344 MET cc_start: 0.8871 (tpp) cc_final: 0.8559 (ttt) REVERT: I 355 LYS cc_start: 0.9100 (tppt) cc_final: 0.8731 (mtpt) REVERT: I 562 HIS cc_start: 0.8616 (t70) cc_final: 0.8186 (m-70) REVERT: I 572 PHE cc_start: 0.7985 (m-80) cc_final: 0.7654 (m-80) REVERT: I 586 LEU cc_start: 0.8488 (mt) cc_final: 0.7855 (tt) REVERT: J 955 MET cc_start: 0.7276 (ptt) cc_final: 0.6393 (tpt) REVERT: J 1011 GLU cc_start: 0.6762 (pt0) cc_final: 0.5687 (mp0) REVERT: K 191 MET cc_start: 0.8307 (tpp) cc_final: 0.8028 (tpp) REVERT: K 379 MET cc_start: 0.5883 (tmm) cc_final: 0.5330 (tmm) REVERT: M 474 MET cc_start: 0.2380 (mpp) cc_final: 0.1430 (mtm) REVERT: M 790 MET cc_start: -0.0655 (tpt) cc_final: -0.1357 (tpt) REVERT: a 218 LEU cc_start: 0.5141 (mm) cc_final: 0.4600 (mp) REVERT: a 270 MET cc_start: 0.4421 (ptm) cc_final: 0.4189 (ptp) REVERT: a 377 MET cc_start: 0.5334 (ptm) cc_final: 0.4910 (ptp) REVERT: c 304 MET cc_start: 0.1299 (tpt) cc_final: 0.0350 (tpp) REVERT: c 321 LEU cc_start: 0.7974 (pt) cc_final: 0.7548 (mt) REVERT: c 377 MET cc_start: 0.7235 (tpp) cc_final: 0.6884 (tpp) REVERT: c 421 MET cc_start: 0.2114 (mpp) cc_final: 0.1354 (mtt) REVERT: d 22 TRP cc_start: 0.3932 (m100) cc_final: 0.3704 (m100) REVERT: d 291 LEU cc_start: 0.7631 (tp) cc_final: 0.6853 (tp) REVERT: d 421 MET cc_start: 0.3620 (mmt) cc_final: 0.2365 (mmm) REVERT: e 21 PHE cc_start: 0.7556 (t80) cc_final: 0.7335 (t80) REVERT: e 304 MET cc_start: 0.4087 (tpp) cc_final: 0.3299 (mtt) REVERT: e 421 MET cc_start: 0.3069 (mmm) cc_final: 0.1507 (mpp) REVERT: f 4 GLU cc_start: 0.7028 (mt-10) cc_final: 0.6726 (mt-10) REVERT: f 270 MET cc_start: 0.5581 (ptp) cc_final: 0.5362 (ptt) REVERT: j 120 ASP cc_start: 0.5566 (m-30) cc_final: 0.5274 (m-30) REVERT: j 212 ARG cc_start: 0.6417 (mtt180) cc_final: 0.5396 (mmt180) REVERT: j 421 MET cc_start: -0.2411 (mmp) cc_final: -0.2717 (mtm) REVERT: k 227 GLN cc_start: 0.4942 (mt0) cc_final: 0.4248 (tm-30) REVERT: k 265 ARG cc_start: 0.4514 (mmm160) cc_final: 0.3865 (mpt90) REVERT: l 236 MET cc_start: 0.2400 (ptt) cc_final: 0.1352 (mmt) REVERT: l 270 MET cc_start: 0.2819 (mpp) cc_final: 0.1770 (ptt) REVERT: l 393 ARG cc_start: 0.6928 (mmp80) cc_final: 0.5843 (mmt90) REVERT: l 421 MET cc_start: 0.1549 (ptm) cc_final: 0.0650 (ppp) REVERT: m 124 ARG cc_start: 0.3913 (ptm-80) cc_final: 0.3004 (tpp-160) REVERT: m 294 MET cc_start: 0.2453 (mtt) cc_final: 0.1955 (ptp) REVERT: m 304 MET cc_start: -0.1631 (ppp) cc_final: -0.4755 (mmt) REVERT: m 335 LYS cc_start: 0.6527 (ttmm) cc_final: 0.6028 (mmtt) outliers start: 2 outliers final: 0 residues processed: 977 average time/residue: 0.8916 time to fit residues: 1537.9912 Evaluate side-chains 753 residues out of total 11842 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 753 time to evaluate : 9.133 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1366 random chunks: chunk 1197 optimal weight: 10.0000 chunk 1261 optimal weight: 20.0000 chunk 1150 optimal weight: 0.9990 chunk 1226 optimal weight: 8.9990 chunk 1260 optimal weight: 8.9990 chunk 738 optimal weight: 30.0000 chunk 534 optimal weight: 4.9990 chunk 963 optimal weight: 6.9990 chunk 376 optimal weight: 4.9990 chunk 1108 optimal weight: 7.9990 chunk 1160 optimal weight: 9.9990 overall best weight: 5.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 486 ASN ** B 259 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 494 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 531 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 684 HIS ** B 717 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 264 GLN ** C 350 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 667 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 682 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 259 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 805 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 722 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 890 ASN ** F 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 702 HIS ** F 705 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 716 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** F 746 HIS F 751 HIS G 317 ASN ** G 486 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 558 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 722 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 705 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 713 HIS I 397 GLN I 500 GLN J 482 HIS J 822 ASN K 518 ASN ** K 539 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L1487 HIS ** L1568 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L1673 GLN ** L1805 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 672 HIS M 682 GLN b 338 GLN ** b 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 15 ASN ** e 332 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 430 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 251 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** j 115 HIS ** j 207 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 436 HIS ** l 167 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 332 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 436 HIS ** m 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 381 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 23 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5745 moved from start: 0.7887 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.007 0.103 108247 Z= 0.419 Angle : 0.772 13.759 146619 Z= 0.385 Chirality : 0.047 0.342 17029 Planarity : 0.005 0.088 18609 Dihedral : 5.535 129.355 14913 Min Nonbonded Distance : 2.067 Molprobity Statistics. All-atom Clashscore : 13.73 Ramachandran Plot: Outliers : 0.01 % Allowed : 5.27 % Favored : 94.72 % Rotamer: Outliers : 0.02 % Allowed : 0.87 % Favored : 99.11 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.01 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.09 (0.07), residues: 12561 helix: -0.08 (0.06), residues: 7723 sheet: -0.97 (0.15), residues: 1026 loop : -1.78 (0.10), residues: 3812 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.042 0.002 TRP e 104 HIS 0.012 0.002 HIS g 334 PHE 0.042 0.002 PHE d 19 TYR 0.038 0.002 TYR G 432 ARG 0.009 0.001 ARG h 401 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25122 Ramachandran restraints generated. 12561 Oldfield, 0 Emsley, 12561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25122 Ramachandran restraints generated. 12561 Oldfield, 0 Emsley, 12561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 973 residues out of total 11842 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 973 time to evaluate : 9.320 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: A 363 MET cc_start: 0.4391 (ppp) cc_final: 0.4135 (ttp) REVERT: A 589 MET cc_start: 0.6982 (tpp) cc_final: 0.6721 (tpt) REVERT: A 725 MET cc_start: 0.5638 (mmm) cc_final: 0.5096 (mmm) REVERT: A 730 MET cc_start: 0.7567 (mpp) cc_final: 0.6647 (mpp) REVERT: A 734 TRP cc_start: 0.2831 (t-100) cc_final: 0.2474 (t-100) REVERT: A 880 MET cc_start: 0.0524 (ttt) cc_final: 0.0174 (ttt) REVERT: C 330 GLU cc_start: 0.8118 (mm-30) cc_final: 0.7910 (mm-30) REVERT: C 387 LEU cc_start: 0.8908 (mt) cc_final: 0.8511 (tp) REVERT: C 550 MET cc_start: 0.8109 (mpp) cc_final: 0.6611 (mpp) REVERT: C 589 MET cc_start: 0.6954 (mmm) cc_final: 0.6548 (tpt) REVERT: D 315 ARG cc_start: 0.6754 (tpt90) cc_final: 0.6457 (tpt170) REVERT: D 411 MET cc_start: 0.7896 (tmm) cc_final: 0.7620 (tmm) REVERT: D 416 GLN cc_start: 0.9160 (tt0) cc_final: 0.7539 (tm-30) REVERT: D 465 THR cc_start: 0.7898 (m) cc_final: 0.7599 (m) REVERT: D 673 MET cc_start: 0.7774 (mmt) cc_final: 0.7073 (mtt) REVERT: D 685 MET cc_start: 0.5625 (tpt) cc_final: 0.5170 (tpt) REVERT: D 755 LEU cc_start: 0.8769 (mp) cc_final: 0.8397 (tt) REVERT: D 875 PHE cc_start: 0.5307 (m-10) cc_final: 0.5056 (m-10) REVERT: E 257 ASP cc_start: 0.8805 (t0) cc_final: 0.8536 (t0) REVERT: E 348 SER cc_start: 0.7937 (m) cc_final: 0.7550 (p) REVERT: E 457 ASP cc_start: 0.7938 (m-30) cc_final: 0.7310 (t0) REVERT: E 550 MET cc_start: 0.8330 (mtp) cc_final: 0.8039 (mtm) REVERT: E 599 ASP cc_start: 0.8374 (p0) cc_final: 0.8116 (p0) REVERT: E 730 MET cc_start: 0.7854 (mmm) cc_final: 0.7520 (mmt) REVERT: F 315 ARG cc_start: 0.7073 (mmt180) cc_final: 0.6693 (tpt170) REVERT: F 416 GLN cc_start: 0.8424 (tt0) cc_final: 0.7297 (tm-30) REVERT: F 465 THR cc_start: 0.7863 (m) cc_final: 0.6957 (p) REVERT: F 843 MET cc_start: 0.8256 (mpp) cc_final: 0.7862 (mpp) REVERT: G 281 ASP cc_start: 0.7358 (m-30) cc_final: 0.7117 (m-30) REVERT: G 474 MET cc_start: 0.9017 (mtp) cc_final: 0.8671 (mtm) REVERT: G 651 LYS cc_start: 0.8171 (ptpt) cc_final: 0.7810 (mmtm) REVERT: H 310 GLN cc_start: 0.7627 (mm110) cc_final: 0.7227 (mt0) REVERT: H 535 ASP cc_start: 0.8664 (m-30) cc_final: 0.8255 (m-30) REVERT: H 874 ARG cc_start: 0.7796 (mpt180) cc_final: 0.7594 (mpt180) REVERT: I 327 GLN cc_start: 0.8621 (mt0) cc_final: 0.8231 (tm-30) REVERT: I 355 LYS cc_start: 0.9090 (tppt) cc_final: 0.8709 (mtpt) REVERT: I 562 HIS cc_start: 0.8552 (t70) cc_final: 0.8138 (m-70) REVERT: I 586 LEU cc_start: 0.8557 (mt) cc_final: 0.7929 (tt) REVERT: J 369 TYR cc_start: 0.7963 (t80) cc_final: 0.7637 (t80) REVERT: J 955 MET cc_start: 0.7050 (ptt) cc_final: 0.6158 (tpt) REVERT: J 1011 GLU cc_start: 0.6830 (pt0) cc_final: 0.5701 (mp0) REVERT: K 30 ASP cc_start: 0.6585 (m-30) cc_final: 0.6305 (p0) REVERT: K 191 MET cc_start: 0.8362 (tpp) cc_final: 0.8061 (tpp) REVERT: K 379 MET cc_start: 0.5756 (tmm) cc_final: 0.5007 (tmm) REVERT: K 452 LEU cc_start: 0.6538 (mt) cc_final: 0.6327 (mt) REVERT: M 474 MET cc_start: 0.3384 (mpp) cc_final: 0.2055 (mtm) REVERT: M 725 MET cc_start: -0.0944 (mmp) cc_final: -0.1619 (tpt) REVERT: M 790 MET cc_start: -0.0646 (tpt) cc_final: -0.1331 (tpt) REVERT: a 218 LEU cc_start: 0.5113 (mm) cc_final: 0.4564 (mp) REVERT: a 377 MET cc_start: 0.5379 (ptm) cc_final: 0.4768 (ptp) REVERT: c 217 ARG cc_start: 0.4699 (mpt-90) cc_final: 0.3532 (tmm160) REVERT: c 304 MET cc_start: 0.1337 (tpt) cc_final: 0.0512 (tpp) REVERT: c 321 LEU cc_start: 0.7928 (pt) cc_final: 0.7716 (mt) REVERT: c 377 MET cc_start: 0.7214 (tpp) cc_final: 0.6855 (tpp) REVERT: c 421 MET cc_start: 0.1023 (mpp) cc_final: 0.0747 (mtt) REVERT: d 22 TRP cc_start: 0.4336 (m100) cc_final: 0.4065 (m100) REVERT: d 249 MET cc_start: 0.5880 (mmm) cc_final: 0.5437 (mmm) REVERT: d 291 LEU cc_start: 0.7561 (tp) cc_final: 0.6943 (tp) REVERT: d 327 GLU cc_start: 0.5742 (pm20) cc_final: 0.5447 (tm-30) REVERT: d 421 MET cc_start: 0.3600 (mmt) cc_final: 0.2482 (mmm) REVERT: e 294 MET cc_start: 0.6673 (tpp) cc_final: 0.6401 (tpp) REVERT: e 304 MET cc_start: 0.3897 (tpp) cc_final: 0.3256 (mtt) REVERT: e 351 TRP cc_start: 0.1576 (p-90) cc_final: 0.1368 (p-90) REVERT: e 421 MET cc_start: 0.2692 (mmm) cc_final: 0.0958 (mpp) REVERT: g 304 MET cc_start: 0.4700 (mpp) cc_final: 0.4404 (mmm) REVERT: h 378 MET cc_start: 0.7693 (ttm) cc_final: 0.7448 (ttm) REVERT: j 120 ASP cc_start: 0.5483 (m-30) cc_final: 0.5211 (m-30) REVERT: j 421 MET cc_start: -0.2573 (mmp) cc_final: -0.2901 (mtm) REVERT: k 227 GLN cc_start: 0.4983 (mt0) cc_final: 0.4261 (tm-30) REVERT: k 265 ARG cc_start: 0.4639 (mmm160) cc_final: 0.4048 (mmt180) REVERT: k 378 MET cc_start: 0.5556 (tpp) cc_final: 0.4682 (mpp) REVERT: l 236 MET cc_start: 0.2335 (ptt) cc_final: 0.1373 (mmt) REVERT: l 270 MET cc_start: 0.2981 (mpp) cc_final: 0.1912 (ptt) REVERT: l 393 ARG cc_start: 0.6919 (mmp80) cc_final: 0.5817 (mmt90) REVERT: l 421 MET cc_start: 0.1518 (ptm) cc_final: 0.0585 (ppp) REVERT: m 124 ARG cc_start: 0.3934 (ptm-80) cc_final: 0.3019 (tpp-160) REVERT: m 304 MET cc_start: -0.1044 (ppp) cc_final: -0.4329 (mmt) REVERT: m 335 LYS cc_start: 0.6480 (ttmm) cc_final: 0.6104 (mmtt) outliers start: 0 outliers final: 0 residues processed: 973 average time/residue: 0.8625 time to fit residues: 1477.8682 Evaluate side-chains 750 residues out of total 11842 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 750 time to evaluate : 9.093 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1366 random chunks: chunk 1222 optimal weight: 8.9990 chunk 805 optimal weight: 8.9990 chunk 1297 optimal weight: 1.9990 chunk 791 optimal weight: 50.0000 chunk 615 optimal weight: 7.9990 chunk 901 optimal weight: 0.9990 chunk 1360 optimal weight: 10.0000 chunk 1252 optimal weight: 2.9990 chunk 1083 optimal weight: 7.9990 chunk 112 optimal weight: 0.7980 chunk 837 optimal weight: 10.0000 overall best weight: 2.9588 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 472 GLN A 486 ASN A 722 GLN ** B 259 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 494 HIS ** B 531 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 684 HIS B 717 GLN C 264 GLN ** C 350 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 558 HIS C 672 HIS C 682 GLN D 259 GLN ** D 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 774 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 805 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 350 GLN ** E 722 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 702 HIS ** F 705 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** F 716 HIS F 751 HIS G 486 ASN ** G 722 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 705 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** I 500 GLN J 822 ASN ** K 492 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 518 ASN ** K 539 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L1568 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L1805 ASN M 388 HIS M 682 GLN M 712 GLN b 357 GLN d 299 GLN ** e 332 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 430 GLN ** g 251 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 139 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** j 75 HIS j 79 ASN ** j 207 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 315 HIS k 197 GLN ** k 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 332 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 381 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 30 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5703 moved from start: 0.8014 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.071 108247 Z= 0.278 Angle : 0.675 13.137 146619 Z= 0.335 Chirality : 0.044 0.255 17029 Planarity : 0.004 0.082 18609 Dihedral : 5.200 127.723 14913 Min Nonbonded Distance : 2.047 Molprobity Statistics. All-atom Clashscore : 12.04 Ramachandran Plot: Outliers : 0.01 % Allowed : 4.67 % Favored : 95.32 % Rotamer: Outliers : 0.04 % Allowed : 0.45 % Favored : 99.51 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.73 (0.08), residues: 12561 helix: 0.24 (0.06), residues: 7661 sheet: -0.94 (0.15), residues: 1042 loop : -1.67 (0.10), residues: 3858 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.047 0.002 TRP e 104 HIS 0.009 0.001 HIS h 381 PHE 0.032 0.002 PHE d 19 TYR 0.031 0.002 TYR e 152 ARG 0.007 0.001 ARG H 654 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 25122 Ramachandran restraints generated. 12561 Oldfield, 0 Emsley, 12561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 25122 Ramachandran restraints generated. 12561 Oldfield, 0 Emsley, 12561 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 993 residues out of total 11842 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 991 time to evaluate : 9.383 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: A 589 MET cc_start: 0.6876 (tpp) cc_final: 0.6641 (tpt) REVERT: A 725 MET cc_start: 0.5812 (mmm) cc_final: 0.5285 (mmm) REVERT: A 730 MET cc_start: 0.7452 (mpp) cc_final: 0.6593 (mpp) REVERT: C 330 GLU cc_start: 0.8081 (mm-30) cc_final: 0.7823 (mm-30) REVERT: C 387 LEU cc_start: 0.8925 (mt) cc_final: 0.8545 (tp) REVERT: C 550 MET cc_start: 0.8150 (mpp) cc_final: 0.6773 (mpp) REVERT: C 589 MET cc_start: 0.6946 (mmm) cc_final: 0.6538 (tpt) REVERT: D 416 GLN cc_start: 0.9114 (tt0) cc_final: 0.7438 (tm-30) REVERT: D 431 TYR cc_start: 0.7697 (m-80) cc_final: 0.7479 (m-80) REVERT: D 727 LEU cc_start: 0.8144 (mm) cc_final: 0.7876 (tt) REVERT: D 755 LEU cc_start: 0.8690 (mp) cc_final: 0.8354 (tt) REVERT: D 875 PHE cc_start: 0.5389 (m-10) cc_final: 0.5065 (m-10) REVERT: E 257 ASP cc_start: 0.8776 (t0) cc_final: 0.8486 (t0) REVERT: E 348 SER cc_start: 0.7889 (m) cc_final: 0.7523 (p) REVERT: E 457 ASP cc_start: 0.7919 (m-30) cc_final: 0.7475 (t0) REVERT: E 550 MET cc_start: 0.8365 (mtp) cc_final: 0.8100 (mtm) REVERT: E 599 ASP cc_start: 0.8349 (p0) cc_final: 0.8066 (p0) REVERT: E 719 GLN cc_start: 0.7794 (tp-100) cc_final: 0.7493 (tp40) REVERT: E 730 MET cc_start: 0.7843 (mmm) cc_final: 0.7548 (mmt) REVERT: E 742 LYS cc_start: 0.7307 (mtmm) cc_final: 0.6881 (tptp) REVERT: F 315 ARG cc_start: 0.7055 (mmt180) cc_final: 0.6706 (tpt170) REVERT: F 404 THR cc_start: 0.6734 (m) cc_final: 0.6224 (p) REVERT: F 416 GLN cc_start: 0.8414 (tt0) cc_final: 0.7175 (tm-30) REVERT: F 803 ARG cc_start: 0.7457 (mtp-110) cc_final: 0.7216 (ttm110) REVERT: F 843 MET cc_start: 0.8204 (mpp) cc_final: 0.7953 (mpp) REVERT: G 565 GLU cc_start: 0.8301 (pm20) cc_final: 0.7886 (mp0) REVERT: G 595 ASP cc_start: 0.8545 (t0) cc_final: 0.7734 (t70) REVERT: G 651 LYS cc_start: 0.8172 (ptpt) cc_final: 0.7785 (mmtm) REVERT: G 790 MET cc_start: 0.5658 (ptt) cc_final: 0.4363 (tpp) REVERT: H 310 GLN cc_start: 0.7585 (mm110) cc_final: 0.7230 (mt0) REVERT: H 535 ASP cc_start: 0.8623 (m-30) cc_final: 0.8182 (m-30) REVERT: H 694 MET cc_start: 0.8380 (mpp) cc_final: 0.8165 (mmm) REVERT: H 874 ARG cc_start: 0.7777 (mpt180) cc_final: 0.7533 (mpt180) REVERT: I 327 GLN cc_start: 0.8560 (mt0) cc_final: 0.8226 (tm-30) REVERT: I 355 LYS cc_start: 0.9078 (tppt) cc_final: 0.8738 (mtpt) REVERT: I 514 TRP cc_start: 0.5933 (m-10) cc_final: 0.5496 (m100) REVERT: I 520 MET cc_start: 0.6845 (mmm) cc_final: 0.6461 (mmp) REVERT: I 562 HIS cc_start: 0.8517 (t70) cc_final: 0.8119 (m-70) REVERT: I 586 LEU cc_start: 0.8550 (mt) cc_final: 0.7944 (tt) REVERT: J 369 TYR cc_start: 0.7929 (t80) cc_final: 0.7594 (t80) REVERT: J 738 PHE cc_start: 0.7078 (t80) cc_final: 0.6823 (t80) REVERT: J 955 MET cc_start: 0.7281 (ptt) cc_final: 0.6427 (tpt) REVERT: J 1011 GLU cc_start: 0.6789 (pt0) cc_final: 0.5619 (mp0) REVERT: K 30 ASP cc_start: 0.6537 (m-30) cc_final: 0.6266 (p0) REVERT: K 191 MET cc_start: 0.8262 (tpp) cc_final: 0.7994 (tpp) REVERT: K 379 MET cc_start: 0.5977 (tmm) cc_final: 0.5207 (tmm) REVERT: K 499 MET cc_start: 0.4495 (tpt) cc_final: 0.3836 (tpt) REVERT: L 1665 MET cc_start: 0.5675 (tpp) cc_final: 0.5405 (tpp) REVERT: M 474 MET cc_start: 0.3359 (mpp) cc_final: 0.2031 (mtm) REVERT: M 725 MET cc_start: -0.0972 (mmp) cc_final: -0.1652 (tpt) REVERT: M 790 MET cc_start: -0.0738 (tpt) cc_final: -0.1439 (tpt) REVERT: M 880 MET cc_start: 0.3458 (tpt) cc_final: 0.3186 (mmm) REVERT: a 218 LEU cc_start: 0.5056 (mm) cc_final: 0.4535 (mp) REVERT: c 217 ARG cc_start: 0.4624 (mpt-90) cc_final: 0.3540 (tmm160) REVERT: c 304 MET cc_start: 0.1102 (tpt) cc_final: 0.0137 (tpp) REVERT: c 321 LEU cc_start: 0.8150 (pt) cc_final: 0.7661 (mt) REVERT: c 377 MET cc_start: 0.7186 (tpp) cc_final: 0.6878 (tpp) REVERT: c 421 MET cc_start: 0.1016 (mpp) cc_final: 0.0740 (mtt) REVERT: d 236 MET cc_start: 0.4846 (ttm) cc_final: 0.4271 (ttm) REVERT: d 291 LEU cc_start: 0.7442 (tp) cc_final: 0.6914 (tp) REVERT: d 421 MET cc_start: 0.3734 (mmt) cc_final: 0.2569 (mmm) REVERT: e 421 MET cc_start: 0.3462 (mmm) cc_final: 0.1170 (mpp) REVERT: f 4 GLU cc_start: 0.6927 (mt-10) cc_final: 0.6687 (mt-10) REVERT: f 219 HIS cc_start: 0.5052 (m-70) cc_final: 0.4323 (t70) REVERT: g 34 GLU cc_start: 0.8164 (mp0) cc_final: 0.7937 (mp0) REVERT: g 304 MET cc_start: 0.4833 (mpp) cc_final: 0.4417 (mmm) REVERT: h 378 MET cc_start: 0.7724 (ttm) cc_final: 0.7457 (ttm) REVERT: j 212 ARG cc_start: 0.6388 (mtt180) cc_final: 0.5413 (mmt180) REVERT: j 421 MET cc_start: -0.2430 (mmp) cc_final: -0.2732 (mtm) REVERT: k 227 GLN cc_start: 0.5084 (mt0) cc_final: 0.4260 (tm-30) REVERT: k 265 ARG cc_start: 0.4582 (mmm160) cc_final: 0.4069 (mmt180) REVERT: k 321 LEU cc_start: 0.7136 (tp) cc_final: 0.6779 (tp) REVERT: l 236 MET cc_start: 0.2261 (ptt) cc_final: 0.1459 (mmt) REVERT: l 270 MET cc_start: 0.3059 (mpp) cc_final: 0.1912 (ptt) REVERT: l 393 ARG cc_start: 0.6923 (mmp80) cc_final: 0.5836 (mmt90) REVERT: l 421 MET cc_start: 0.1560 (ptm) cc_final: 0.0812 (ppp) REVERT: m 124 ARG cc_start: 0.3931 (ptm-80) cc_final: 0.2795 (tpp-160) REVERT: m 294 MET cc_start: 0.2362 (mtt) cc_final: 0.1916 (ptp) REVERT: m 304 MET cc_start: -0.1300 (ppp) cc_final: -0.4533 (mmt) REVERT: m 335 LYS cc_start: 0.6487 (ttmm) cc_final: 0.6037 (mmtt) outliers start: 2 outliers final: 1 residues processed: 993 average time/residue: 0.8893 time to fit residues: 1554.6971 Evaluate side-chains 765 residues out of total 11842 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 764 time to evaluate : 8.495 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1366 random chunks: chunk 664 optimal weight: 0.0770 chunk 860 optimal weight: 8.9990 chunk 1154 optimal weight: 5.9990 chunk 331 optimal weight: 0.9990 chunk 999 optimal weight: 5.9990 chunk 160 optimal weight: 8.9990 chunk 301 optimal weight: 0.0970 chunk 1085 optimal weight: 0.5980 chunk 454 optimal weight: 0.9980 chunk 1114 optimal weight: 8.9990 chunk 137 optimal weight: 4.9990 overall best weight: 0.5538 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 486 ASN A 722 GLN ** B 259 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 479 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 491 ASN ** B 531 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 317 ASN ** C 350 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 672 HIS ** D 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 350 GLN E 722 GLN F 491 ASN ** F 705 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 558 HIS ** G 722 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 491 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 705 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 822 ASN K 518 ASN ** K 539 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 571 HIS ** L1568 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L1625 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L1805 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 264 GLN M 682 GLN d 15 ASN e 430 GLN f 322 ASN g 16 GLN ** g 251 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 229 ASN i 139 HIS j 115 HIS ** j 207 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 322 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 332 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 381 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 21 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4407 r_free = 0.4407 target = 0.157257 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 33)----------------| | r_work = 0.4346 r_free = 0.4346 target = 0.152758 restraints weight = 359506.020| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 24)----------------| | r_work = 0.4337 r_free = 0.4337 target = 0.152170 restraints weight = 434264.272| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 27)----------------| | r_work = 0.4330 r_free = 0.4330 target = 0.151712 restraints weight = 385417.837| |-----------------------------------------------------------------------------| r_work (final): 0.4326 ------------------------------------------------------------------------------- Occupancy refinement ******************** r_start: 0.4327 |-occupancy refinement: start-------------------------------------------------| | r_work = 0.4327 r_free = 0.4327 target_work(ls_wunit_k1) = 0.151 | | occupancies: max = 1.00 min = 0.50 number of occupancies < 0.1: 0 | |-----------------------------------------------------------------------------| |-occupancy refinement: end---------------------------------------------------| | r_work = 0.4327 r_free = 0.4327 target_work(ls_wunit_k1) = 0.151 | | occupancies: max = 1.00 min = 0.00 number of occupancies < 0.1: 22 | |-----------------------------------------------------------------------------| r_final: 0.4327 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5464 moved from start: 0.8028 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.068 108247 Z= 0.159 Angle : 0.603 12.717 146619 Z= 0.297 Chirality : 0.041 0.289 17029 Planarity : 0.004 0.077 18609 Dihedral : 4.706 123.345 14913 Min Nonbonded Distance : 2.101 Molprobity Statistics. All-atom Clashscore : 9.84 Ramachandran Plot: Outliers : 0.01 % Allowed : 3.24 % Favored : 96.76 % Rotamer: Outliers : 0.03 % Allowed : 0.31 % Favored : 99.66 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.18 (0.08), residues: 12561 helix: 0.67 (0.06), residues: 7652 sheet: -0.56 (0.16), residues: 992 loop : -1.47 (0.10), residues: 3917 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.042 0.001 TRP e 104 HIS 0.011 0.001 HIS B 716 PHE 0.029 0.001 PHE G 556 TYR 0.044 0.001 TYR F 854 ARG 0.008 0.000 ARG D 669 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 26641.37 seconds wall clock time: 464 minutes 25.30 seconds (27865.30 seconds total)