Starting phenix.real_space_refine on Mon Mar 11 22:38:30 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/3j9l_2871/03_2024/3j9l_2871_neut_updated.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/3j9l_2871/03_2024/3j9l_2871.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=4.0 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/3j9l_2871/03_2024/3j9l_2871.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/3j9l_2871/03_2024/3j9l_2871.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/3j9l_2871/03_2024/3j9l_2871_neut_updated.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/3j9l_2871/03_2024/3j9l_2871_neut_updated.pdb" } resolution = 4.0 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= 0.021 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 45 5.49 5 S 368 5.16 5 C 70681 2.51 5 N 20476 2.21 5 O 21381 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A GLU 20": "OE1" <-> "OE2" Residue "A GLU 43": "OE1" <-> "OE2" Residue "A GLU 44": "OE1" <-> "OE2" Residue "A GLU 70": "OE1" <-> "OE2" Residue "A GLU 79": "OE1" <-> "OE2" Residue "A ARG 104": "NH1" <-> "NH2" Residue "A GLU 190": "OE1" <-> "OE2" Residue "A GLU 227": "OE1" <-> "OE2" Residue "A ARG 229": "NH1" <-> "NH2" Residue "A GLU 238": "OE1" <-> "OE2" Residue "A ARG 267": "NH1" <-> "NH2" Residue "A GLU 361": "OE1" <-> "OE2" Residue "A GLU 434": "OE1" <-> "OE2" Residue "A GLU 479": "OE1" <-> "OE2" Residue "C GLU 20": "OE1" <-> "OE2" Residue "C GLU 43": "OE1" <-> "OE2" Residue "C GLU 44": "OE1" <-> "OE2" Residue "C GLU 70": "OE1" <-> "OE2" Residue "C GLU 79": "OE1" <-> "OE2" Residue "C ARG 104": "NH1" <-> "NH2" Residue "C GLU 190": "OE1" <-> "OE2" Residue "C GLU 227": "OE1" <-> "OE2" Residue "C ARG 229": "NH1" <-> "NH2" Residue "C GLU 238": "OE1" <-> "OE2" Residue "C ARG 267": "NH1" <-> "NH2" Residue "C GLU 361": "OE1" <-> "OE2" Residue "C GLU 434": "OE1" <-> "OE2" Residue "C GLU 479": "OE1" <-> "OE2" Residue "D GLU 20": "OE1" <-> "OE2" Residue "D GLU 43": "OE1" <-> "OE2" Residue "D GLU 44": "OE1" <-> "OE2" Residue "D GLU 70": "OE1" <-> "OE2" Residue "D GLU 79": "OE1" <-> "OE2" Residue "D ARG 104": "NH1" <-> "NH2" Residue "D GLU 190": "OE1" <-> "OE2" Residue "D GLU 227": "OE1" <-> "OE2" Residue "D ARG 229": "NH1" <-> "NH2" Residue "D GLU 238": "OE1" <-> "OE2" Residue "D ARG 267": "NH1" <-> "NH2" Residue "D GLU 361": "OE1" <-> "OE2" Residue "D GLU 434": "OE1" <-> "OE2" Residue "D GLU 479": "OE1" <-> "OE2" Residue "E GLU 20": "OE1" <-> "OE2" Residue "E GLU 43": "OE1" <-> "OE2" Residue "E GLU 44": "OE1" <-> "OE2" Residue "E GLU 70": "OE1" <-> "OE2" Residue "E GLU 79": "OE1" <-> "OE2" Residue "E ARG 104": "NH1" <-> "NH2" Residue "E GLU 190": "OE1" <-> "OE2" Residue "E GLU 227": "OE1" <-> "OE2" Residue "E ARG 229": "NH1" <-> "NH2" Residue "E GLU 238": "OE1" <-> "OE2" Residue "E ARG 267": "NH1" <-> "NH2" Residue "E GLU 361": "OE1" <-> "OE2" Residue "E GLU 434": "OE1" <-> "OE2" Residue "E GLU 479": "OE1" <-> "OE2" Residue "F GLU 20": "OE1" <-> "OE2" Residue "F GLU 43": "OE1" <-> "OE2" Residue "F GLU 44": "OE1" <-> "OE2" Residue "F GLU 70": "OE1" <-> "OE2" Residue "F GLU 79": "OE1" <-> "OE2" Residue "F ARG 104": "NH1" <-> "NH2" Residue "F GLU 190": "OE1" <-> "OE2" Residue "F GLU 227": "OE1" <-> "OE2" Residue "F ARG 229": "NH1" <-> "NH2" Residue "F GLU 238": "OE1" <-> "OE2" Residue "F ARG 267": "NH1" <-> "NH2" Residue "F GLU 361": "OE1" <-> "OE2" Residue "F GLU 434": "OE1" <-> "OE2" Residue "F GLU 479": "OE1" <-> "OE2" Residue "G GLU 20": "OE1" <-> "OE2" Residue "G GLU 43": "OE1" <-> "OE2" Residue "G GLU 44": "OE1" <-> "OE2" Residue "G GLU 70": "OE1" <-> "OE2" Residue "G GLU 79": "OE1" <-> "OE2" Residue "G ARG 104": "NH1" <-> "NH2" Residue "G GLU 190": "OE1" <-> "OE2" Residue "G GLU 227": "OE1" <-> "OE2" Residue "G ARG 229": "NH1" <-> "NH2" Residue "G GLU 238": "OE1" <-> "OE2" Residue "G ARG 267": "NH1" <-> "NH2" Residue "G GLU 361": "OE1" <-> "OE2" Residue "G GLU 434": "OE1" <-> "OE2" Residue "G GLU 479": "OE1" <-> "OE2" Residue "H GLU 20": "OE1" <-> "OE2" Residue "H GLU 43": "OE1" <-> "OE2" Residue "H GLU 44": "OE1" <-> "OE2" Residue "H GLU 70": "OE1" <-> "OE2" Residue "H GLU 79": "OE1" <-> "OE2" Residue "H ARG 104": "NH1" <-> "NH2" Residue "H GLU 190": "OE1" <-> "OE2" Residue "H GLU 227": "OE1" <-> "OE2" Residue "H ARG 229": "NH1" <-> "NH2" Residue "H GLU 238": "OE1" <-> "OE2" Residue "H ARG 267": "NH1" <-> "NH2" Residue "H GLU 361": "OE1" <-> "OE2" Residue "H GLU 434": "OE1" <-> "OE2" Residue "H GLU 479": "OE1" <-> "OE2" Residue "I GLU 20": "OE1" <-> "OE2" Residue "I GLU 43": "OE1" <-> "OE2" Residue "I GLU 44": "OE1" <-> "OE2" Residue "I GLU 70": "OE1" <-> "OE2" Residue "I GLU 79": "OE1" <-> "OE2" Residue "I ARG 104": "NH1" <-> "NH2" Residue "I GLU 190": "OE1" <-> "OE2" Residue "I GLU 227": "OE1" <-> "OE2" Residue "I ARG 229": "NH1" <-> "NH2" Residue "I GLU 238": "OE1" <-> "OE2" Residue "I ARG 267": "NH1" <-> "NH2" Residue "I GLU 361": "OE1" <-> "OE2" Residue "I GLU 434": "OE1" <-> "OE2" Residue "I GLU 479": "OE1" <-> "OE2" Residue "J GLU 20": "OE1" <-> "OE2" Residue "J GLU 43": "OE1" <-> "OE2" Residue "J GLU 44": "OE1" <-> "OE2" Residue "J GLU 70": "OE1" <-> "OE2" Residue "J GLU 79": "OE1" <-> "OE2" Residue "J ARG 104": "NH1" <-> "NH2" Residue "J GLU 190": "OE1" <-> "OE2" Residue "J GLU 227": "OE1" <-> "OE2" Residue "J ARG 229": "NH1" <-> "NH2" Residue "J GLU 238": "OE1" <-> "OE2" Residue "J ARG 267": "NH1" <-> "NH2" Residue "J GLU 361": "OE1" <-> "OE2" Residue "J GLU 434": "OE1" <-> "OE2" Residue "J GLU 479": "OE1" <-> "OE2" Residue "K GLU 20": "OE1" <-> "OE2" Residue "K GLU 43": "OE1" <-> "OE2" Residue "K GLU 44": "OE1" <-> "OE2" Residue "K GLU 70": "OE1" <-> "OE2" Residue "K GLU 79": "OE1" <-> "OE2" Residue "K ARG 104": "NH1" <-> "NH2" Residue "K GLU 190": "OE1" <-> "OE2" Residue "K GLU 227": "OE1" <-> "OE2" Residue "K ARG 229": "NH1" <-> "NH2" Residue "K GLU 238": "OE1" <-> "OE2" Residue "K ARG 267": "NH1" <-> "NH2" Residue "K GLU 361": "OE1" <-> "OE2" Residue "K GLU 434": "OE1" <-> "OE2" Residue "K GLU 479": "OE1" <-> "OE2" Residue "L GLU 20": "OE1" <-> "OE2" Residue "L GLU 43": "OE1" <-> "OE2" Residue "L GLU 44": "OE1" <-> "OE2" Residue "L GLU 70": "OE1" <-> "OE2" Residue "L GLU 79": "OE1" <-> "OE2" Residue "L ARG 104": "NH1" <-> "NH2" Residue "L GLU 190": "OE1" <-> "OE2" Residue "L GLU 227": "OE1" <-> "OE2" Residue "L ARG 229": "NH1" <-> "NH2" Residue "L GLU 238": "OE1" <-> "OE2" Residue "L ARG 267": "NH1" <-> "NH2" Residue "L GLU 361": "OE1" <-> "OE2" Residue "L GLU 434": "OE1" <-> "OE2" Residue "L GLU 479": "OE1" <-> "OE2" Residue "M GLU 20": "OE1" <-> "OE2" Residue "M GLU 43": "OE1" <-> "OE2" Residue "M GLU 44": "OE1" <-> "OE2" Residue "M GLU 70": "OE1" <-> "OE2" Residue "M GLU 79": "OE1" <-> "OE2" Residue "M ARG 104": "NH1" <-> "NH2" Residue "M GLU 190": "OE1" <-> "OE2" Residue "M GLU 227": "OE1" <-> "OE2" Residue "M ARG 229": "NH1" <-> "NH2" Residue "M GLU 238": "OE1" <-> "OE2" Residue "M ARG 267": "NH1" <-> "NH2" Residue "M GLU 361": "OE1" <-> "OE2" Residue "M GLU 434": "OE1" <-> "OE2" Residue "M GLU 479": "OE1" <-> "OE2" Residue "N GLU 20": "OE1" <-> "OE2" Residue "N GLU 43": "OE1" <-> "OE2" Residue "N GLU 44": "OE1" <-> "OE2" Residue "N GLU 70": "OE1" <-> "OE2" Residue "N GLU 79": "OE1" <-> "OE2" Residue "N ARG 104": "NH1" <-> "NH2" Residue "N GLU 190": "OE1" <-> "OE2" Residue "N GLU 227": "OE1" <-> "OE2" Residue "N ARG 229": "NH1" <-> "NH2" Residue "N GLU 238": "OE1" <-> "OE2" Residue "N ARG 267": "NH1" <-> "NH2" Residue "N GLU 361": "OE1" <-> "OE2" Residue "N GLU 434": "OE1" <-> "OE2" Residue "N GLU 479": "OE1" <-> "OE2" Residue "O GLU 20": "OE1" <-> "OE2" Residue "O GLU 43": "OE1" <-> "OE2" Residue "O GLU 44": "OE1" <-> "OE2" Residue "O GLU 70": "OE1" <-> "OE2" Residue "O GLU 79": "OE1" <-> "OE2" Residue "O ARG 104": "NH1" <-> "NH2" Residue "O GLU 190": "OE1" <-> "OE2" Residue "O GLU 227": "OE1" <-> "OE2" Residue "O ARG 229": "NH1" <-> "NH2" Residue "O GLU 238": "OE1" <-> "OE2" Residue "O ARG 267": "NH1" <-> "NH2" Residue "O GLU 361": "OE1" <-> "OE2" Residue "O GLU 434": "OE1" <-> "OE2" Residue "O GLU 479": "OE1" <-> "OE2" Residue "P GLU 20": "OE1" <-> "OE2" Residue "P GLU 43": "OE1" <-> "OE2" Residue "P GLU 44": "OE1" <-> "OE2" Residue "P GLU 70": "OE1" <-> "OE2" Residue "P GLU 79": "OE1" <-> "OE2" Residue "P ARG 104": "NH1" <-> "NH2" Residue "P GLU 190": "OE1" <-> "OE2" Residue "P GLU 227": "OE1" <-> "OE2" Residue "P ARG 229": "NH1" <-> "NH2" Residue "P GLU 238": "OE1" <-> "OE2" Residue "P ARG 267": "NH1" <-> "NH2" Residue "P GLU 361": "OE1" <-> "OE2" Residue "P GLU 434": "OE1" <-> "OE2" Residue "P GLU 479": "OE1" <-> "OE2" Residue "Q GLU 20": "OE1" <-> "OE2" Residue "Q GLU 43": "OE1" <-> "OE2" Residue "Q GLU 44": "OE1" <-> "OE2" Residue "Q GLU 70": "OE1" <-> "OE2" Residue "Q GLU 79": "OE1" <-> "OE2" Residue "Q ARG 104": "NH1" <-> "NH2" Residue "Q GLU 190": "OE1" <-> "OE2" Residue "Q GLU 227": "OE1" <-> "OE2" Residue "Q ARG 229": "NH1" <-> "NH2" Residue "Q GLU 238": "OE1" <-> "OE2" Residue "Q ARG 267": "NH1" <-> "NH2" Residue "Q GLU 361": "OE1" <-> "OE2" Residue "Q GLU 434": "OE1" <-> "OE2" Residue "Q GLU 479": "OE1" <-> "OE2" Time to flip residues: 0.18s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib" Total number of atoms: 112951 Number of models: 1 Model: "" Number of chains: 31 Chain: "A" Number of atoms: 7031 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1062, 7031 Classifications: {'peptide': 1062} Incomplete info: {'backbone_only': 20, 'truncation_to_alanine': 515} Link IDs: {'CIS': 2, 'PTRANS': 25, 'TRANS': 1034} Chain breaks: 42 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 1107 Unresolved non-hydrogen angles: 1660 Unresolved non-hydrogen dihedrals: 557 Unresolved non-hydrogen chiralities: 24 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 1, 'UNK:plan-1': 519, 'ARG:plan': 2, 'ASP:plan': 3} Unresolved non-hydrogen planarities: 546 Chain: "C" Number of atoms: 7031 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1062, 7031 Classifications: {'peptide': 1062} Incomplete info: {'backbone_only': 20, 'truncation_to_alanine': 515} Link IDs: {'CIS': 2, 'PTRANS': 25, 'TRANS': 1034} Chain breaks: 42 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 1107 Unresolved non-hydrogen angles: 1660 Unresolved non-hydrogen dihedrals: 557 Unresolved non-hydrogen chiralities: 24 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 1, 'UNK:plan-1': 519, 'ARG:plan': 2, 'ASP:plan': 3} Unresolved non-hydrogen planarities: 546 Chain: "D" Number of atoms: 7031 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1062, 7031 Classifications: {'peptide': 1062} Incomplete info: {'backbone_only': 20, 'truncation_to_alanine': 515} Link IDs: {'CIS': 2, 'PTRANS': 25, 'TRANS': 1034} Chain breaks: 42 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 1107 Unresolved non-hydrogen angles: 1660 Unresolved non-hydrogen dihedrals: 557 Unresolved non-hydrogen chiralities: 24 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 1, 'UNK:plan-1': 519, 'ARG:plan': 2, 'ASP:plan': 3} Unresolved non-hydrogen planarities: 546 Chain: "E" Number of atoms: 7031 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1062, 7031 Classifications: {'peptide': 1062} Incomplete info: {'backbone_only': 20, 'truncation_to_alanine': 515} Link IDs: {'CIS': 2, 'PTRANS': 25, 'TRANS': 1034} Chain breaks: 42 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 1107 Unresolved non-hydrogen angles: 1660 Unresolved non-hydrogen dihedrals: 557 Unresolved non-hydrogen chiralities: 24 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 1, 'UNK:plan-1': 519, 'ARG:plan': 2, 'ASP:plan': 3} Unresolved non-hydrogen planarities: 546 Chain: "F" Number of atoms: 7031 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1062, 7031 Classifications: {'peptide': 1062} Incomplete info: {'backbone_only': 20, 'truncation_to_alanine': 515} Link IDs: {'CIS': 2, 'PTRANS': 25, 'TRANS': 1034} Chain breaks: 42 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 1107 Unresolved non-hydrogen angles: 1660 Unresolved non-hydrogen dihedrals: 557 Unresolved non-hydrogen chiralities: 24 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 1, 'UNK:plan-1': 519, 'ARG:plan': 2, 'ASP:plan': 3} Unresolved non-hydrogen planarities: 546 Chain: "G" Number of atoms: 7031 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1062, 7031 Classifications: {'peptide': 1062} Incomplete info: {'backbone_only': 20, 'truncation_to_alanine': 515} Link IDs: {'CIS': 2, 'PTRANS': 25, 'TRANS': 1034} Chain breaks: 42 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 1107 Unresolved non-hydrogen angles: 1660 Unresolved non-hydrogen dihedrals: 557 Unresolved non-hydrogen chiralities: 24 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 1, 'UNK:plan-1': 519, 'ARG:plan': 2, 'ASP:plan': 3} Unresolved non-hydrogen planarities: 546 Chain: "H" Number of atoms: 7031 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1062, 7031 Classifications: {'peptide': 1062} Incomplete info: {'backbone_only': 20, 'truncation_to_alanine': 515} Link IDs: {'CIS': 2, 'PTRANS': 25, 'TRANS': 1034} Chain breaks: 42 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 1107 Unresolved non-hydrogen angles: 1660 Unresolved non-hydrogen dihedrals: 557 Unresolved non-hydrogen chiralities: 24 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 1, 'UNK:plan-1': 519, 'ARG:plan': 2, 'ASP:plan': 3} Unresolved non-hydrogen planarities: 546 Chain: "I" Number of atoms: 7031 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1062, 7031 Classifications: {'peptide': 1062} Incomplete info: {'backbone_only': 20, 'truncation_to_alanine': 515} Link IDs: {'CIS': 2, 'PTRANS': 25, 'TRANS': 1034} Chain breaks: 42 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 1107 Unresolved non-hydrogen angles: 1660 Unresolved non-hydrogen dihedrals: 557 Unresolved non-hydrogen chiralities: 24 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 1, 'UNK:plan-1': 519, 'ARG:plan': 2, 'ASP:plan': 3} Unresolved non-hydrogen planarities: 546 Chain: "J" Number of atoms: 7031 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1062, 7031 Classifications: {'peptide': 1062} Incomplete info: {'backbone_only': 20, 'truncation_to_alanine': 515} Link IDs: {'CIS': 2, 'PTRANS': 25, 'TRANS': 1034} Chain breaks: 42 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 1107 Unresolved non-hydrogen angles: 1660 Unresolved non-hydrogen dihedrals: 557 Unresolved non-hydrogen chiralities: 24 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 1, 'UNK:plan-1': 519, 'ARG:plan': 2, 'ASP:plan': 3} Unresolved non-hydrogen planarities: 546 Chain: "K" Number of atoms: 7031 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1062, 7031 Classifications: {'peptide': 1062} Incomplete info: {'backbone_only': 20, 'truncation_to_alanine': 515} Link IDs: {'CIS': 2, 'PTRANS': 25, 'TRANS': 1034} Chain breaks: 42 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 1107 Unresolved non-hydrogen angles: 1660 Unresolved non-hydrogen dihedrals: 557 Unresolved non-hydrogen chiralities: 24 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 1, 'UNK:plan-1': 519, 'ARG:plan': 2, 'ASP:plan': 3} Unresolved non-hydrogen planarities: 546 Chain: "L" Number of atoms: 7031 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1062, 7031 Classifications: {'peptide': 1062} Incomplete info: {'backbone_only': 20, 'truncation_to_alanine': 515} Link IDs: {'CIS': 2, 'PTRANS': 25, 'TRANS': 1034} Chain breaks: 42 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 1107 Unresolved non-hydrogen angles: 1660 Unresolved non-hydrogen dihedrals: 557 Unresolved non-hydrogen chiralities: 24 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 1, 'UNK:plan-1': 519, 'ARG:plan': 2, 'ASP:plan': 3} Unresolved non-hydrogen planarities: 546 Chain: "M" Number of atoms: 7031 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1062, 7031 Classifications: {'peptide': 1062} Incomplete info: {'backbone_only': 20, 'truncation_to_alanine': 515} Link IDs: {'CIS': 2, 'PTRANS': 25, 'TRANS': 1034} Chain breaks: 42 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 1107 Unresolved non-hydrogen angles: 1660 Unresolved non-hydrogen dihedrals: 557 Unresolved non-hydrogen chiralities: 24 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 1, 'UNK:plan-1': 519, 'ARG:plan': 2, 'ASP:plan': 3} Unresolved non-hydrogen planarities: 546 Chain: "N" Number of atoms: 7031 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1062, 7031 Classifications: {'peptide': 1062} Incomplete info: {'backbone_only': 20, 'truncation_to_alanine': 515} Link IDs: {'CIS': 2, 'PTRANS': 25, 'TRANS': 1034} Chain breaks: 42 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 1107 Unresolved non-hydrogen angles: 1660 Unresolved non-hydrogen dihedrals: 557 Unresolved non-hydrogen chiralities: 24 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 1, 'UNK:plan-1': 519, 'ARG:plan': 2, 'ASP:plan': 3} Unresolved non-hydrogen planarities: 546 Chain: "O" Number of atoms: 7031 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1062, 7031 Classifications: {'peptide': 1062} Incomplete info: {'backbone_only': 20, 'truncation_to_alanine': 515} Link IDs: {'CIS': 2, 'PTRANS': 25, 'TRANS': 1034} Chain breaks: 42 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 1107 Unresolved non-hydrogen angles: 1660 Unresolved non-hydrogen dihedrals: 557 Unresolved non-hydrogen chiralities: 24 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 1, 'UNK:plan-1': 519, 'ARG:plan': 2, 'ASP:plan': 3} Unresolved non-hydrogen planarities: 546 Chain: "P" Number of atoms: 7031 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1062, 7031 Classifications: {'peptide': 1062} Incomplete info: {'backbone_only': 20, 'truncation_to_alanine': 515} Link IDs: {'CIS': 2, 'PTRANS': 25, 'TRANS': 1034} Chain breaks: 42 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 1107 Unresolved non-hydrogen angles: 1660 Unresolved non-hydrogen dihedrals: 557 Unresolved non-hydrogen chiralities: 24 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 1, 'UNK:plan-1': 519, 'ARG:plan': 2, 'ASP:plan': 3} Unresolved non-hydrogen planarities: 546 Chain: "Q" Number of atoms: 7036 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1063, 7036 Classifications: {'peptide': 1063} Incomplete info: {'backbone_only': 20, 'truncation_to_alanine': 516} Link IDs: {'CIS': 2, 'PTRANS': 25, 'TRANS': 1035} Chain breaks: 41 Unresolved chain link angles: 3 Unresolved non-hydrogen bonds: 1109 Unresolved non-hydrogen angles: 1663 Unresolved non-hydrogen dihedrals: 558 Unresolved non-hydrogen chiralities: 24 Planarities with less than four sites: {'GLN:plan1': 1, 'GLU:plan': 1, 'UNK:plan-1': 520, 'ARG:plan': 2, 'ASP:plan': 3} Unresolved non-hydrogen planarities: 547 Chain: "C" Number of atoms: 30 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 30 Unusual residues: {'DTP': 1} Classifications: {'undetermined': 1} Chain: "D" Number of atoms: 30 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 30 Unusual residues: {'DTP': 1} Classifications: {'undetermined': 1} Chain: "E" Number of atoms: 30 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 30 Unusual residues: {'DTP': 1} Classifications: {'undetermined': 1} Chain: "F" Number of atoms: 30 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 30 Unusual residues: {'DTP': 1} Classifications: {'undetermined': 1} Chain: "G" Number of atoms: 30 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 30 Unusual residues: {'DTP': 1} Classifications: {'undetermined': 1} Chain: "H" Number of atoms: 30 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 30 Unusual residues: {'DTP': 1} Classifications: {'undetermined': 1} Chain: "I" Number of atoms: 30 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 30 Unusual residues: {'DTP': 1} Classifications: {'undetermined': 1} Chain: "J" Number of atoms: 30 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 30 Unusual residues: {'DTP': 1} Classifications: {'undetermined': 1} Chain: "K" Number of atoms: 30 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 30 Unusual residues: {'DTP': 1} Classifications: {'undetermined': 1} Chain: "L" Number of atoms: 30 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 30 Unusual residues: {'DTP': 1} Classifications: {'undetermined': 1} Chain: "M" Number of atoms: 30 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 30 Unusual residues: {'DTP': 1} Classifications: {'undetermined': 1} Chain: "N" Number of atoms: 30 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 30 Unusual residues: {'DTP': 1} Classifications: {'undetermined': 1} Chain: "O" Number of atoms: 30 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 30 Unusual residues: {'DTP': 1} Classifications: {'undetermined': 1} Chain: "P" Number of atoms: 30 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 30 Unusual residues: {'DTP': 1} Classifications: {'undetermined': 1} Chain: "Q" Number of atoms: 30 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 30 Unusual residues: {'DTP': 1} Classifications: {'undetermined': 1} Time building chain proxies: 42.32, per 1000 atoms: 0.37 Number of scatterers: 112951 At special positions: 0 Unit cell: (290.78, 290.78, 170.18, 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 368 16.00 P 45 15.00 O 21381 8.00 N 20476 7.00 C 70681 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=15, symmetry=0 Number of additional bonds: simple=15, symmetry=0 Coordination: Other bonds: Time building additional restraints: 31.53 Conformation dependent library (CDL) restraints added in 8.8 seconds 16928 Ramachandran restraints generated. 8464 Oldfield, 0 Emsley, 8464 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 33186 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: 512 helices and 16 sheets defined 71.5% alpha, 4.8% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 18.21 Creating SS restraints... Processing helix chain 'A' and resid 11 through 20 removed outlier: 4.306A pdb=" N SER A 17 " --> pdb=" O LYS A 13 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N VAL A 18 " --> pdb=" O ASP A 14 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N PHE A 19 " --> pdb=" O ILE A 15 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLU A 20 " --> pdb=" O LEU A 16 " (cutoff:3.500A) Processing helix chain 'A' and resid 21 through 27 removed outlier: 3.726A pdb=" N ASP A 25 " --> pdb=" O ASP A 21 " (cutoff:3.500A) Processing helix chain 'A' and resid 41 through 51 removed outlier: 3.841A pdb=" N ILE A 49 " --> pdb=" O ILE A 45 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N MET A 50 " --> pdb=" O ASP A 46 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N SER A 51 " --> pdb=" O HIS A 47 " (cutoff:3.500A) Processing helix chain 'A' and resid 53 through 69 removed outlier: 3.974A pdb=" N GLY A 57 " --> pdb=" O ASP A 53 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU A 59 " --> pdb=" O VAL A 55 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU A 66 " --> pdb=" O PHE A 62 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLN A 69 " --> pdb=" O LEU A 65 " (cutoff:3.500A) Processing helix chain 'A' and resid 70 through 85 removed outlier: 4.431A pdb=" N GLN A 74 " --> pdb=" O GLU A 70 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N LYS A 75 " --> pdb=" O GLU A 71 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N GLU A 79 " --> pdb=" O LYS A 75 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N VAL A 80 " --> pdb=" O PHE A 76 " (cutoff:3.500A) removed outlier: 4.829A pdb=" N LEU A 81 " --> pdb=" O VAL A 77 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N ASN A 84 " --> pdb=" O VAL A 80 " (cutoff:3.500A) Processing helix chain 'A' and resid 86 through 98 removed outlier: 3.534A pdb=" N SER A 90 " --> pdb=" O LYS A 86 " (cutoff:3.500A) Proline residue: A 91 - end of helix removed outlier: 3.751A pdb=" N GLU A 95 " --> pdb=" O PRO A 91 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N ARG A 97 " --> pdb=" O LYS A 93 " (cutoff:3.500A) Processing helix chain 'A' and resid 100 through 118 removed outlier: 3.566A pdb=" N ARG A 112 " --> pdb=" O GLU A 108 " (cutoff:3.500A) Processing helix chain 'A' and resid 128 through 141 removed outlier: 3.636A pdb=" N GLN A 136 " --> pdb=" O LEU A 132 " (cutoff:3.500A) removed outlier: 4.118A pdb=" N ALA A 137 " --> pdb=" O LYS A 133 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLU A 140 " --> pdb=" O GLN A 136 " (cutoff:3.500A) Processing helix chain 'A' and resid 156 through 168 removed outlier: 3.566A pdb=" N VAL A 160 " --> pdb=" O GLY A 156 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N TYR A 168 " --> pdb=" O VAL A 164 " (cutoff:3.500A) Processing helix chain 'A' and resid 169 through 175 removed outlier: 3.695A pdb=" N LYS A 173 " --> pdb=" O LYS A 169 " (cutoff:3.500A) Processing helix chain 'A' and resid 188 through 204 removed outlier: 4.517A pdb=" N VAL A 192 " --> pdb=" O SER A 188 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N LEU A 193 " --> pdb=" O PRO A 189 " (cutoff:3.500A) Processing helix chain 'A' and resid 216 through 233 removed outlier: 3.679A pdb=" N ILE A 221 " --> pdb=" O ILE A 217 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N HIS A 222 " --> pdb=" O LYS A 218 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N SER A 223 " --> pdb=" O LEU A 219 " (cutoff:3.500A) Processing helix chain 'A' and resid 249 through 257 removed outlier: 3.709A pdb=" N TRP A 253 " --> pdb=" O ASN A 249 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N ALA A 255 " --> pdb=" O LYS A 251 " (cutoff:3.500A) Processing helix chain 'A' and resid 268 through 276 removed outlier: 5.781A pdb=" N SER A 276 " --> pdb=" O THR A 272 " (cutoff:3.500A) Processing helix chain 'A' and resid 287 through 292 removed outlier: 5.362A pdb=" N LEU A 292 " --> pdb=" O HIS A 288 " (cutoff:3.500A) Processing helix chain 'A' and resid 293 through 306 removed outlier: 3.916A pdb=" N VAL A 297 " --> pdb=" O THR A 293 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N LYS A 298 " --> pdb=" O PRO A 294 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N LYS A 303 " --> pdb=" O SER A 299 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N TYR A 304 " --> pdb=" O LEU A 300 " (cutoff:3.500A) Processing helix chain 'A' and resid 307 through 314 removed outlier: 3.589A pdb=" N ASP A 311 " --> pdb=" O CYS A 307 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N LEU A 312 " --> pdb=" O ARG A 308 " (cutoff:3.500A) Proline residue: A 313 - end of helix No H-bonds generated for 'chain 'A' and resid 307 through 314' Processing helix chain 'A' and resid 320 through 333 Processing helix chain 'A' and resid 338 through 343 removed outlier: 3.842A pdb=" N LYS A 342 " --> pdb=" O TRP A 338 " (cutoff:3.500A) Processing helix chain 'A' and resid 348 through 359 removed outlier: 3.680A pdb=" N LEU A 357 " --> pdb=" O ILE A 353 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ASN A 358 " --> pdb=" O GLU A 354 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N VAL A 359 " --> pdb=" O SER A 355 " (cutoff:3.500A) Processing helix chain 'A' and resid 364 through 373 removed outlier: 3.642A pdb=" N MET A 368 " --> pdb=" O GLU A 364 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N LEU A 372 " --> pdb=" O MET A 368 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N SER A 373 " --> pdb=" O PHE A 369 " (cutoff:3.500A) Processing helix chain 'A' and resid 382 through 389 removed outlier: 3.791A pdb=" N LEU A 388 " --> pdb=" O ILE A 384 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N ILE A 389 " --> pdb=" O LEU A 385 " (cutoff:3.500A) Processing helix chain 'A' and resid 396 through 409 removed outlier: 3.506A pdb=" N SER A 409 " --> pdb=" O LEU A 405 " (cutoff:3.500A) Processing helix chain 'A' and resid 429 through 435 removed outlier: 3.810A pdb=" N LEU A 433 " --> pdb=" O LEU A 429 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N GLU A 434 " --> pdb=" O LYS A 430 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N ASN A 435 " --> pdb=" O VAL A 431 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 429 through 435' Processing helix chain 'A' and resid 438 through 454 Proline residue: A 450 - end of helix removed outlier: 4.748A pdb=" N ASP A 454 " --> pdb=" O PRO A 450 " (cutoff:3.500A) Processing helix chain 'A' and resid 464 through 479 removed outlier: 5.209A pdb=" N TYR A 468 " --> pdb=" O ASP A 464 " (cutoff:3.500A) removed outlier: 4.896A pdb=" N GLY A 472 " --> pdb=" O TYR A 468 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N HIS A 473 " --> pdb=" O SER A 469 " (cutoff:3.500A) Processing helix chain 'A' and resid 480 through 487 Processing helix chain 'A' and resid 491 through 503 removed outlier: 4.764A pdb=" N ARG A 495 " --> pdb=" O PHE A 491 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N GLN A 499 " --> pdb=" O ARG A 495 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N HIS A 503 " --> pdb=" O GLN A 499 " (cutoff:3.500A) Processing helix chain 'A' and resid 516 through 528 removed outlier: 3.788A pdb=" N GLN A 520 " --> pdb=" O ASN A 516 " (cutoff:3.500A) Proline residue: A 526 - end of helix Processing helix chain 'A' and resid 532 through 549 removed outlier: 3.788A pdb=" N LEU A 538 " --> pdb=" O LYS A 534 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N PHE A 545 " --> pdb=" O ALA A 541 " (cutoff:3.500A) Proline residue: A 547 - end of helix Processing helix chain 'A' and resid 558 through 568 removed outlier: 4.283A pdb=" N LEU A 562 " --> pdb=" O TYR A 558 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N MET A 567 " --> pdb=" O ARG A 563 " (cutoff:3.500A) removed outlier: 5.194A pdb=" N ALA A 568 " --> pdb=" O ILE A 564 " (cutoff:3.500A) Processing helix chain 'A' and resid 571 through 583 removed outlier: 3.619A pdb=" N GLU A 575 " --> pdb=" O GLU A 571 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N LYS A 579 " --> pdb=" O GLU A 575 " (cutoff:3.500A) Processing helix chain 'C' and resid 11 through 20 removed outlier: 4.306A pdb=" N SER C 17 " --> pdb=" O LYS C 13 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N VAL C 18 " --> pdb=" O ASP C 14 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N PHE C 19 " --> pdb=" O ILE C 15 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLU C 20 " --> pdb=" O LEU C 16 " (cutoff:3.500A) Processing helix chain 'C' and resid 21 through 27 removed outlier: 3.725A pdb=" N ASP C 25 " --> pdb=" O ASP C 21 " (cutoff:3.500A) Processing helix chain 'C' and resid 41 through 51 removed outlier: 3.841A pdb=" N ILE C 49 " --> pdb=" O ILE C 45 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N MET C 50 " --> pdb=" O ASP C 46 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N SER C 51 " --> pdb=" O HIS C 47 " (cutoff:3.500A) Processing helix chain 'C' and resid 53 through 69 removed outlier: 3.973A pdb=" N GLY C 57 " --> pdb=" O ASP C 53 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU C 59 " --> pdb=" O VAL C 55 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LEU C 66 " --> pdb=" O PHE C 62 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLN C 69 " --> pdb=" O LEU C 65 " (cutoff:3.500A) Processing helix chain 'C' and resid 70 through 85 removed outlier: 4.431A pdb=" N GLN C 74 " --> pdb=" O GLU C 70 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N LYS C 75 " --> pdb=" O GLU C 71 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N GLU C 79 " --> pdb=" O LYS C 75 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N VAL C 80 " --> pdb=" O PHE C 76 " (cutoff:3.500A) removed outlier: 4.828A pdb=" N LEU C 81 " --> pdb=" O VAL C 77 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N ASN C 84 " --> pdb=" O VAL C 80 " (cutoff:3.500A) Processing helix chain 'C' and resid 86 through 98 removed outlier: 3.534A pdb=" N SER C 90 " --> pdb=" O LYS C 86 " (cutoff:3.500A) Proline residue: C 91 - end of helix removed outlier: 3.751A pdb=" N GLU C 95 " --> pdb=" O PRO C 91 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N ARG C 97 " --> pdb=" O LYS C 93 " (cutoff:3.500A) Processing helix chain 'C' and resid 100 through 118 removed outlier: 3.565A pdb=" N ARG C 112 " --> pdb=" O GLU C 108 " (cutoff:3.500A) Processing helix chain 'C' and resid 128 through 141 removed outlier: 3.637A pdb=" N GLN C 136 " --> pdb=" O LEU C 132 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N ALA C 137 " --> pdb=" O LYS C 133 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLU C 140 " --> pdb=" O GLN C 136 " (cutoff:3.500A) Processing helix chain 'C' and resid 156 through 168 removed outlier: 3.566A pdb=" N VAL C 160 " --> pdb=" O GLY C 156 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N TYR C 168 " --> pdb=" O VAL C 164 " (cutoff:3.500A) Processing helix chain 'C' and resid 169 through 175 removed outlier: 3.694A pdb=" N LYS C 173 " --> pdb=" O LYS C 169 " (cutoff:3.500A) Processing helix chain 'C' and resid 188 through 204 removed outlier: 4.518A pdb=" N VAL C 192 " --> pdb=" O SER C 188 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N LEU C 193 " --> pdb=" O PRO C 189 " (cutoff:3.500A) Processing helix chain 'C' and resid 216 through 233 removed outlier: 3.679A pdb=" N ILE C 221 " --> pdb=" O ILE C 217 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N HIS C 222 " --> pdb=" O LYS C 218 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N SER C 223 " --> pdb=" O LEU C 219 " (cutoff:3.500A) Processing helix chain 'C' and resid 249 through 257 removed outlier: 3.710A pdb=" N TRP C 253 " --> pdb=" O ASN C 249 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N ALA C 255 " --> pdb=" O LYS C 251 " (cutoff:3.500A) Processing helix chain 'C' and resid 268 through 276 removed outlier: 5.781A pdb=" N SER C 276 " --> pdb=" O THR C 272 " (cutoff:3.500A) Processing helix chain 'C' and resid 287 through 292 removed outlier: 5.362A pdb=" N LEU C 292 " --> pdb=" O HIS C 288 " (cutoff:3.500A) Processing helix chain 'C' and resid 293 through 306 removed outlier: 3.915A pdb=" N VAL C 297 " --> pdb=" O THR C 293 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LYS C 298 " --> pdb=" O PRO C 294 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N LYS C 303 " --> pdb=" O SER C 299 " (cutoff:3.500A) removed outlier: 4.072A pdb=" N TYR C 304 " --> pdb=" O LEU C 300 " (cutoff:3.500A) Processing helix chain 'C' and resid 307 through 314 removed outlier: 3.589A pdb=" N ASP C 311 " --> pdb=" O CYS C 307 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N LEU C 312 " --> pdb=" O ARG C 308 " (cutoff:3.500A) Proline residue: C 313 - end of helix No H-bonds generated for 'chain 'C' and resid 307 through 314' Processing helix chain 'C' and resid 320 through 333 Processing helix chain 'C' and resid 338 through 343 removed outlier: 3.843A pdb=" N LYS C 342 " --> pdb=" O TRP C 338 " (cutoff:3.500A) Processing helix chain 'C' and resid 348 through 359 removed outlier: 3.680A pdb=" N LEU C 357 " --> pdb=" O ILE C 353 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ASN C 358 " --> pdb=" O GLU C 354 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N VAL C 359 " --> pdb=" O SER C 355 " (cutoff:3.500A) Processing helix chain 'C' and resid 364 through 373 removed outlier: 3.641A pdb=" N MET C 368 " --> pdb=" O GLU C 364 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N LEU C 372 " --> pdb=" O MET C 368 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N SER C 373 " --> pdb=" O PHE C 369 " (cutoff:3.500A) Processing helix chain 'C' and resid 382 through 389 removed outlier: 3.791A pdb=" N LEU C 388 " --> pdb=" O ILE C 384 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N ILE C 389 " --> pdb=" O LEU C 385 " (cutoff:3.500A) Processing helix chain 'C' and resid 396 through 409 removed outlier: 3.506A pdb=" N SER C 409 " --> pdb=" O LEU C 405 " (cutoff:3.500A) Processing helix chain 'C' and resid 429 through 435 removed outlier: 3.810A pdb=" N LEU C 433 " --> pdb=" O LEU C 429 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N GLU C 434 " --> pdb=" O LYS C 430 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N ASN C 435 " --> pdb=" O VAL C 431 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 429 through 435' Processing helix chain 'C' and resid 438 through 454 Proline residue: C 450 - end of helix removed outlier: 4.749A pdb=" N ASP C 454 " --> pdb=" O PRO C 450 " (cutoff:3.500A) Processing helix chain 'C' and resid 464 through 479 removed outlier: 5.208A pdb=" N TYR C 468 " --> pdb=" O ASP C 464 " (cutoff:3.500A) removed outlier: 4.897A pdb=" N GLY C 472 " --> pdb=" O TYR C 468 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N HIS C 473 " --> pdb=" O SER C 469 " (cutoff:3.500A) Processing helix chain 'C' and resid 480 through 487 Processing helix chain 'C' and resid 491 through 503 removed outlier: 4.764A pdb=" N ARG C 495 " --> pdb=" O PHE C 491 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N GLN C 499 " --> pdb=" O ARG C 495 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N HIS C 503 " --> pdb=" O GLN C 499 " (cutoff:3.500A) Processing helix chain 'C' and resid 516 through 528 removed outlier: 3.788A pdb=" N GLN C 520 " --> pdb=" O ASN C 516 " (cutoff:3.500A) Proline residue: C 526 - end of helix Processing helix chain 'C' and resid 532 through 549 removed outlier: 3.788A pdb=" N LEU C 538 " --> pdb=" O LYS C 534 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N PHE C 545 " --> pdb=" O ALA C 541 " (cutoff:3.500A) Proline residue: C 547 - end of helix Processing helix chain 'C' and resid 558 through 568 removed outlier: 4.283A pdb=" N LEU C 562 " --> pdb=" O TYR C 558 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N MET C 567 " --> pdb=" O ARG C 563 " (cutoff:3.500A) removed outlier: 5.194A pdb=" N ALA C 568 " --> pdb=" O ILE C 564 " (cutoff:3.500A) Processing helix chain 'C' and resid 571 through 583 removed outlier: 3.620A pdb=" N GLU C 575 " --> pdb=" O GLU C 571 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N LYS C 579 " --> pdb=" O GLU C 575 " (cutoff:3.500A) Processing helix chain 'D' and resid 11 through 20 removed outlier: 4.306A pdb=" N SER D 17 " --> pdb=" O LYS D 13 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N VAL D 18 " --> pdb=" O ASP D 14 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N PHE D 19 " --> pdb=" O ILE D 15 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLU D 20 " --> pdb=" O LEU D 16 " (cutoff:3.500A) Processing helix chain 'D' and resid 21 through 27 removed outlier: 3.726A pdb=" N ASP D 25 " --> pdb=" O ASP D 21 " (cutoff:3.500A) Processing helix chain 'D' and resid 41 through 51 removed outlier: 3.841A pdb=" N ILE D 49 " --> pdb=" O ILE D 45 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N MET D 50 " --> pdb=" O ASP D 46 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N SER D 51 " --> pdb=" O HIS D 47 " (cutoff:3.500A) Processing helix chain 'D' and resid 53 through 69 removed outlier: 3.974A pdb=" N GLY D 57 " --> pdb=" O ASP D 53 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU D 59 " --> pdb=" O VAL D 55 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU D 66 " --> pdb=" O PHE D 62 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLN D 69 " --> pdb=" O LEU D 65 " (cutoff:3.500A) Processing helix chain 'D' and resid 70 through 85 removed outlier: 4.431A pdb=" N GLN D 74 " --> pdb=" O GLU D 70 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N LYS D 75 " --> pdb=" O GLU D 71 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N GLU D 79 " --> pdb=" O LYS D 75 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N VAL D 80 " --> pdb=" O PHE D 76 " (cutoff:3.500A) removed outlier: 4.829A pdb=" N LEU D 81 " --> pdb=" O VAL D 77 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N ASN D 84 " --> pdb=" O VAL D 80 " (cutoff:3.500A) Processing helix chain 'D' and resid 86 through 98 removed outlier: 3.534A pdb=" N SER D 90 " --> pdb=" O LYS D 86 " (cutoff:3.500A) Proline residue: D 91 - end of helix removed outlier: 3.751A pdb=" N GLU D 95 " --> pdb=" O PRO D 91 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N ARG D 97 " --> pdb=" O LYS D 93 " (cutoff:3.500A) Processing helix chain 'D' and resid 100 through 118 removed outlier: 3.566A pdb=" N ARG D 112 " --> pdb=" O GLU D 108 " (cutoff:3.500A) Processing helix chain 'D' and resid 128 through 141 removed outlier: 3.636A pdb=" N GLN D 136 " --> pdb=" O LEU D 132 " (cutoff:3.500A) removed outlier: 4.118A pdb=" N ALA D 137 " --> pdb=" O LYS D 133 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLU D 140 " --> pdb=" O GLN D 136 " (cutoff:3.500A) Processing helix chain 'D' and resid 156 through 168 removed outlier: 3.566A pdb=" N VAL D 160 " --> pdb=" O GLY D 156 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N TYR D 168 " --> pdb=" O VAL D 164 " (cutoff:3.500A) Processing helix chain 'D' and resid 169 through 175 removed outlier: 3.695A pdb=" N LYS D 173 " --> pdb=" O LYS D 169 " (cutoff:3.500A) Processing helix chain 'D' and resid 188 through 204 removed outlier: 4.517A pdb=" N VAL D 192 " --> pdb=" O SER D 188 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N LEU D 193 " --> pdb=" O PRO D 189 " (cutoff:3.500A) Processing helix chain 'D' and resid 216 through 233 removed outlier: 3.679A pdb=" N ILE D 221 " --> pdb=" O ILE D 217 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N HIS D 222 " --> pdb=" O LYS D 218 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N SER D 223 " --> pdb=" O LEU D 219 " (cutoff:3.500A) Processing helix chain 'D' and resid 249 through 257 removed outlier: 3.709A pdb=" N TRP D 253 " --> pdb=" O ASN D 249 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N ALA D 255 " --> pdb=" O LYS D 251 " (cutoff:3.500A) Processing helix chain 'D' and resid 268 through 276 removed outlier: 5.781A pdb=" N SER D 276 " --> pdb=" O THR D 272 " (cutoff:3.500A) Processing helix chain 'D' and resid 287 through 292 removed outlier: 5.362A pdb=" N LEU D 292 " --> pdb=" O HIS D 288 " (cutoff:3.500A) Processing helix chain 'D' and resid 293 through 306 removed outlier: 3.916A pdb=" N VAL D 297 " --> pdb=" O THR D 293 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N LYS D 298 " --> pdb=" O PRO D 294 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N LYS D 303 " --> pdb=" O SER D 299 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N TYR D 304 " --> pdb=" O LEU D 300 " (cutoff:3.500A) Processing helix chain 'D' and resid 307 through 314 removed outlier: 3.589A pdb=" N ASP D 311 " --> pdb=" O CYS D 307 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N LEU D 312 " --> pdb=" O ARG D 308 " (cutoff:3.500A) Proline residue: D 313 - end of helix No H-bonds generated for 'chain 'D' and resid 307 through 314' Processing helix chain 'D' and resid 320 through 333 Processing helix chain 'D' and resid 338 through 343 removed outlier: 3.842A pdb=" N LYS D 342 " --> pdb=" O TRP D 338 " (cutoff:3.500A) Processing helix chain 'D' and resid 348 through 359 removed outlier: 3.680A pdb=" N LEU D 357 " --> pdb=" O ILE D 353 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ASN D 358 " --> pdb=" O GLU D 354 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N VAL D 359 " --> pdb=" O SER D 355 " (cutoff:3.500A) Processing helix chain 'D' and resid 364 through 373 removed outlier: 3.642A pdb=" N MET D 368 " --> pdb=" O GLU D 364 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N LEU D 372 " --> pdb=" O MET D 368 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N SER D 373 " --> pdb=" O PHE D 369 " (cutoff:3.500A) Processing helix chain 'D' and resid 382 through 389 removed outlier: 3.791A pdb=" N LEU D 388 " --> pdb=" O ILE D 384 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N ILE D 389 " --> pdb=" O LEU D 385 " (cutoff:3.500A) Processing helix chain 'D' and resid 396 through 409 removed outlier: 3.506A pdb=" N SER D 409 " --> pdb=" O LEU D 405 " (cutoff:3.500A) Processing helix chain 'D' and resid 429 through 435 removed outlier: 3.810A pdb=" N LEU D 433 " --> pdb=" O LEU D 429 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N GLU D 434 " --> pdb=" O LYS D 430 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N ASN D 435 " --> pdb=" O VAL D 431 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 429 through 435' Processing helix chain 'D' and resid 438 through 454 Proline residue: D 450 - end of helix removed outlier: 4.748A pdb=" N ASP D 454 " --> pdb=" O PRO D 450 " (cutoff:3.500A) Processing helix chain 'D' and resid 464 through 479 removed outlier: 5.209A pdb=" N TYR D 468 " --> pdb=" O ASP D 464 " (cutoff:3.500A) removed outlier: 4.896A pdb=" N GLY D 472 " --> pdb=" O TYR D 468 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N HIS D 473 " --> pdb=" O SER D 469 " (cutoff:3.500A) Processing helix chain 'D' and resid 480 through 487 Processing helix chain 'D' and resid 491 through 503 removed outlier: 4.764A pdb=" N ARG D 495 " --> pdb=" O PHE D 491 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N GLN D 499 " --> pdb=" O ARG D 495 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N HIS D 503 " --> pdb=" O GLN D 499 " (cutoff:3.500A) Processing helix chain 'D' and resid 516 through 528 removed outlier: 3.788A pdb=" N GLN D 520 " --> pdb=" O ASN D 516 " (cutoff:3.500A) Proline residue: D 526 - end of helix Processing helix chain 'D' and resid 532 through 549 removed outlier: 3.788A pdb=" N LEU D 538 " --> pdb=" O LYS D 534 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N PHE D 545 " --> pdb=" O ALA D 541 " (cutoff:3.500A) Proline residue: D 547 - end of helix Processing helix chain 'D' and resid 558 through 568 removed outlier: 4.283A pdb=" N LEU D 562 " --> pdb=" O TYR D 558 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N MET D 567 " --> pdb=" O ARG D 563 " (cutoff:3.500A) removed outlier: 5.194A pdb=" N ALA D 568 " --> pdb=" O ILE D 564 " (cutoff:3.500A) Processing helix chain 'D' and resid 571 through 583 removed outlier: 3.619A pdb=" N GLU D 575 " --> pdb=" O GLU D 571 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N LYS D 579 " --> pdb=" O GLU D 575 " (cutoff:3.500A) Processing helix chain 'E' and resid 11 through 20 removed outlier: 4.306A pdb=" N SER E 17 " --> pdb=" O LYS E 13 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N VAL E 18 " --> pdb=" O ASP E 14 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N PHE E 19 " --> pdb=" O ILE E 15 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLU E 20 " --> pdb=" O LEU E 16 " (cutoff:3.500A) Processing helix chain 'E' and resid 21 through 27 removed outlier: 3.726A pdb=" N ASP E 25 " --> pdb=" O ASP E 21 " (cutoff:3.500A) Processing helix chain 'E' and resid 41 through 51 removed outlier: 3.841A pdb=" N ILE E 49 " --> pdb=" O ILE E 45 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N MET E 50 " --> pdb=" O ASP E 46 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N SER E 51 " --> pdb=" O HIS E 47 " (cutoff:3.500A) Processing helix chain 'E' and resid 53 through 69 removed outlier: 3.973A pdb=" N GLY E 57 " --> pdb=" O ASP E 53 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU E 59 " --> pdb=" O VAL E 55 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LEU E 66 " --> pdb=" O PHE E 62 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLN E 69 " --> pdb=" O LEU E 65 " (cutoff:3.500A) Processing helix chain 'E' and resid 70 through 85 removed outlier: 4.431A pdb=" N GLN E 74 " --> pdb=" O GLU E 70 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N LYS E 75 " --> pdb=" O GLU E 71 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N GLU E 79 " --> pdb=" O LYS E 75 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N VAL E 80 " --> pdb=" O PHE E 76 " (cutoff:3.500A) removed outlier: 4.828A pdb=" N LEU E 81 " --> pdb=" O VAL E 77 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N ASN E 84 " --> pdb=" O VAL E 80 " (cutoff:3.500A) Processing helix chain 'E' and resid 86 through 98 removed outlier: 3.534A pdb=" N SER E 90 " --> pdb=" O LYS E 86 " (cutoff:3.500A) Proline residue: E 91 - end of helix removed outlier: 3.751A pdb=" N GLU E 95 " --> pdb=" O PRO E 91 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N ARG E 97 " --> pdb=" O LYS E 93 " (cutoff:3.500A) Processing helix chain 'E' and resid 100 through 118 removed outlier: 3.565A pdb=" N ARG E 112 " --> pdb=" O GLU E 108 " (cutoff:3.500A) Processing helix chain 'E' and resid 128 through 141 removed outlier: 3.637A pdb=" N GLN E 136 " --> pdb=" O LEU E 132 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N ALA E 137 " --> pdb=" O LYS E 133 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLU E 140 " --> pdb=" O GLN E 136 " (cutoff:3.500A) Processing helix chain 'E' and resid 156 through 168 removed outlier: 3.566A pdb=" N VAL E 160 " --> pdb=" O GLY E 156 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N TYR E 168 " --> pdb=" O VAL E 164 " (cutoff:3.500A) Processing helix chain 'E' and resid 169 through 175 removed outlier: 3.694A pdb=" N LYS E 173 " --> pdb=" O LYS E 169 " (cutoff:3.500A) Processing helix chain 'E' and resid 188 through 204 removed outlier: 4.518A pdb=" N VAL E 192 " --> pdb=" O SER E 188 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N LEU E 193 " --> pdb=" O PRO E 189 " (cutoff:3.500A) Processing helix chain 'E' and resid 216 through 233 removed outlier: 3.679A pdb=" N ILE E 221 " --> pdb=" O ILE E 217 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N HIS E 222 " --> pdb=" O LYS E 218 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N SER E 223 " --> pdb=" O LEU E 219 " (cutoff:3.500A) Processing helix chain 'E' and resid 249 through 257 removed outlier: 3.710A pdb=" N TRP E 253 " --> pdb=" O ASN E 249 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N ALA E 255 " --> pdb=" O LYS E 251 " (cutoff:3.500A) Processing helix chain 'E' and resid 268 through 276 removed outlier: 5.781A pdb=" N SER E 276 " --> pdb=" O THR E 272 " (cutoff:3.500A) Processing helix chain 'E' and resid 287 through 292 removed outlier: 5.362A pdb=" N LEU E 292 " --> pdb=" O HIS E 288 " (cutoff:3.500A) Processing helix chain 'E' and resid 293 through 306 removed outlier: 3.915A pdb=" N VAL E 297 " --> pdb=" O THR E 293 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LYS E 298 " --> pdb=" O PRO E 294 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N LYS E 303 " --> pdb=" O SER E 299 " (cutoff:3.500A) removed outlier: 4.072A pdb=" N TYR E 304 " --> pdb=" O LEU E 300 " (cutoff:3.500A) Processing helix chain 'E' and resid 307 through 314 removed outlier: 3.589A pdb=" N ASP E 311 " --> pdb=" O CYS E 307 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N LEU E 312 " --> pdb=" O ARG E 308 " (cutoff:3.500A) Proline residue: E 313 - end of helix No H-bonds generated for 'chain 'E' and resid 307 through 314' Processing helix chain 'E' and resid 320 through 333 Processing helix chain 'E' and resid 338 through 343 removed outlier: 3.843A pdb=" N LYS E 342 " --> pdb=" O TRP E 338 " (cutoff:3.500A) Processing helix chain 'E' and resid 348 through 359 removed outlier: 3.680A pdb=" N LEU E 357 " --> pdb=" O ILE E 353 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ASN E 358 " --> pdb=" O GLU E 354 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N VAL E 359 " --> pdb=" O SER E 355 " (cutoff:3.500A) Processing helix chain 'E' and resid 364 through 373 removed outlier: 3.641A pdb=" N MET E 368 " --> pdb=" O GLU E 364 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N LEU E 372 " --> pdb=" O MET E 368 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N SER E 373 " --> pdb=" O PHE E 369 " (cutoff:3.500A) Processing helix chain 'E' and resid 382 through 389 removed outlier: 3.791A pdb=" N LEU E 388 " --> pdb=" O ILE E 384 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N ILE E 389 " --> pdb=" O LEU E 385 " (cutoff:3.500A) Processing helix chain 'E' and resid 396 through 409 removed outlier: 3.506A pdb=" N SER E 409 " --> pdb=" O LEU E 405 " (cutoff:3.500A) Processing helix chain 'E' and resid 429 through 435 removed outlier: 3.810A pdb=" N LEU E 433 " --> pdb=" O LEU E 429 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N GLU E 434 " --> pdb=" O LYS E 430 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N ASN E 435 " --> pdb=" O VAL E 431 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 429 through 435' Processing helix chain 'E' and resid 438 through 454 Proline residue: E 450 - end of helix removed outlier: 4.748A pdb=" N ASP E 454 " --> pdb=" O PRO E 450 " (cutoff:3.500A) Processing helix chain 'E' and resid 464 through 479 removed outlier: 5.208A pdb=" N TYR E 468 " --> pdb=" O ASP E 464 " (cutoff:3.500A) removed outlier: 4.897A pdb=" N GLY E 472 " --> pdb=" O TYR E 468 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N HIS E 473 " --> pdb=" O SER E 469 " (cutoff:3.500A) Processing helix chain 'E' and resid 480 through 487 Processing helix chain 'E' and resid 491 through 503 removed outlier: 4.764A pdb=" N ARG E 495 " --> pdb=" O PHE E 491 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N GLN E 499 " --> pdb=" O ARG E 495 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N HIS E 503 " --> pdb=" O GLN E 499 " (cutoff:3.500A) Processing helix chain 'E' and resid 516 through 528 removed outlier: 3.788A pdb=" N GLN E 520 " --> pdb=" O ASN E 516 " (cutoff:3.500A) Proline residue: E 526 - end of helix Processing helix chain 'E' and resid 532 through 549 removed outlier: 3.788A pdb=" N LEU E 538 " --> pdb=" O LYS E 534 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N PHE E 545 " --> pdb=" O ALA E 541 " (cutoff:3.500A) Proline residue: E 547 - end of helix Processing helix chain 'E' and resid 558 through 568 removed outlier: 4.283A pdb=" N LEU E 562 " --> pdb=" O TYR E 558 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N MET E 567 " --> pdb=" O ARG E 563 " (cutoff:3.500A) removed outlier: 5.194A pdb=" N ALA E 568 " --> pdb=" O ILE E 564 " (cutoff:3.500A) Processing helix chain 'E' and resid 571 through 583 removed outlier: 3.620A pdb=" N GLU E 575 " --> pdb=" O GLU E 571 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N LYS E 579 " --> pdb=" O GLU E 575 " (cutoff:3.500A) Processing helix chain 'F' and resid 11 through 20 removed outlier: 4.306A pdb=" N SER F 17 " --> pdb=" O LYS F 13 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N VAL F 18 " --> pdb=" O ASP F 14 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N PHE F 19 " --> pdb=" O ILE F 15 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLU F 20 " --> pdb=" O LEU F 16 " (cutoff:3.500A) Processing helix chain 'F' and resid 21 through 27 removed outlier: 3.726A pdb=" N ASP F 25 " --> pdb=" O ASP F 21 " (cutoff:3.500A) Processing helix chain 'F' and resid 41 through 51 removed outlier: 3.841A pdb=" N ILE F 49 " --> pdb=" O ILE F 45 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N MET F 50 " --> pdb=" O ASP F 46 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N SER F 51 " --> pdb=" O HIS F 47 " (cutoff:3.500A) Processing helix chain 'F' and resid 53 through 69 removed outlier: 3.974A pdb=" N GLY F 57 " --> pdb=" O ASP F 53 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU F 59 " --> pdb=" O VAL F 55 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU F 66 " --> pdb=" O PHE F 62 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLN F 69 " --> pdb=" O LEU F 65 " (cutoff:3.500A) Processing helix chain 'F' and resid 70 through 85 removed outlier: 4.431A pdb=" N GLN F 74 " --> pdb=" O GLU F 70 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N LYS F 75 " --> pdb=" O GLU F 71 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N GLU F 79 " --> pdb=" O LYS F 75 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N VAL F 80 " --> pdb=" O PHE F 76 " (cutoff:3.500A) removed outlier: 4.829A pdb=" N LEU F 81 " --> pdb=" O VAL F 77 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N ASN F 84 " --> pdb=" O VAL F 80 " (cutoff:3.500A) Processing helix chain 'F' and resid 86 through 98 removed outlier: 3.534A pdb=" N SER F 90 " --> pdb=" O LYS F 86 " (cutoff:3.500A) Proline residue: F 91 - end of helix removed outlier: 3.751A pdb=" N GLU F 95 " --> pdb=" O PRO F 91 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N ARG F 97 " --> pdb=" O LYS F 93 " (cutoff:3.500A) Processing helix chain 'F' and resid 100 through 118 removed outlier: 3.566A pdb=" N ARG F 112 " --> pdb=" O GLU F 108 " (cutoff:3.500A) Processing helix chain 'F' and resid 128 through 141 removed outlier: 3.636A pdb=" N GLN F 136 " --> pdb=" O LEU F 132 " (cutoff:3.500A) removed outlier: 4.118A pdb=" N ALA F 137 " --> pdb=" O LYS F 133 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLU F 140 " --> pdb=" O GLN F 136 " (cutoff:3.500A) Processing helix chain 'F' and resid 156 through 168 removed outlier: 3.566A pdb=" N VAL F 160 " --> pdb=" O GLY F 156 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N TYR F 168 " --> pdb=" O VAL F 164 " (cutoff:3.500A) Processing helix chain 'F' and resid 169 through 175 removed outlier: 3.695A pdb=" N LYS F 173 " --> pdb=" O LYS F 169 " (cutoff:3.500A) Processing helix chain 'F' and resid 188 through 204 removed outlier: 4.517A pdb=" N VAL F 192 " --> pdb=" O SER F 188 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N LEU F 193 " --> pdb=" O PRO F 189 " (cutoff:3.500A) Processing helix chain 'F' and resid 216 through 233 removed outlier: 3.679A pdb=" N ILE F 221 " --> pdb=" O ILE F 217 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N HIS F 222 " --> pdb=" O LYS F 218 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N SER F 223 " --> pdb=" O LEU F 219 " (cutoff:3.500A) Processing helix chain 'F' and resid 249 through 257 removed outlier: 3.709A pdb=" N TRP F 253 " --> pdb=" O ASN F 249 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N ALA F 255 " --> pdb=" O LYS F 251 " (cutoff:3.500A) Processing helix chain 'F' and resid 268 through 276 removed outlier: 5.781A pdb=" N SER F 276 " --> pdb=" O THR F 272 " (cutoff:3.500A) Processing helix chain 'F' and resid 287 through 292 removed outlier: 5.362A pdb=" N LEU F 292 " --> pdb=" O HIS F 288 " (cutoff:3.500A) Processing helix chain 'F' and resid 293 through 306 removed outlier: 3.916A pdb=" N VAL F 297 " --> pdb=" O THR F 293 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N LYS F 298 " --> pdb=" O PRO F 294 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N LYS F 303 " --> pdb=" O SER F 299 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N TYR F 304 " --> pdb=" O LEU F 300 " (cutoff:3.500A) Processing helix chain 'F' and resid 307 through 314 removed outlier: 3.589A pdb=" N ASP F 311 " --> pdb=" O CYS F 307 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N LEU F 312 " --> pdb=" O ARG F 308 " (cutoff:3.500A) Proline residue: F 313 - end of helix No H-bonds generated for 'chain 'F' and resid 307 through 314' Processing helix chain 'F' and resid 320 through 333 Processing helix chain 'F' and resid 338 through 343 removed outlier: 3.842A pdb=" N LYS F 342 " --> pdb=" O TRP F 338 " (cutoff:3.500A) Processing helix chain 'F' and resid 348 through 359 removed outlier: 3.680A pdb=" N LEU F 357 " --> pdb=" O ILE F 353 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ASN F 358 " --> pdb=" O GLU F 354 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N VAL F 359 " --> pdb=" O SER F 355 " (cutoff:3.500A) Processing helix chain 'F' and resid 364 through 373 removed outlier: 3.642A pdb=" N MET F 368 " --> pdb=" O GLU F 364 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N LEU F 372 " --> pdb=" O MET F 368 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N SER F 373 " --> pdb=" O PHE F 369 " (cutoff:3.500A) Processing helix chain 'F' and resid 382 through 389 removed outlier: 3.791A pdb=" N LEU F 388 " --> pdb=" O ILE F 384 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N ILE F 389 " --> pdb=" O LEU F 385 " (cutoff:3.500A) Processing helix chain 'F' and resid 396 through 409 removed outlier: 3.506A pdb=" N SER F 409 " --> pdb=" O LEU F 405 " (cutoff:3.500A) Processing helix chain 'F' and resid 429 through 435 removed outlier: 3.810A pdb=" N LEU F 433 " --> pdb=" O LEU F 429 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N GLU F 434 " --> pdb=" O LYS F 430 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N ASN F 435 " --> pdb=" O VAL F 431 " (cutoff:3.500A) No H-bonds generated for 'chain 'F' and resid 429 through 435' Processing helix chain 'F' and resid 438 through 454 Proline residue: F 450 - end of helix removed outlier: 4.748A pdb=" N ASP F 454 " --> pdb=" O PRO F 450 " (cutoff:3.500A) Processing helix chain 'F' and resid 464 through 479 removed outlier: 5.209A pdb=" N TYR F 468 " --> pdb=" O ASP F 464 " (cutoff:3.500A) removed outlier: 4.896A pdb=" N GLY F 472 " --> pdb=" O TYR F 468 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N HIS F 473 " --> pdb=" O SER F 469 " (cutoff:3.500A) Processing helix chain 'F' and resid 480 through 487 Processing helix chain 'F' and resid 491 through 503 removed outlier: 4.764A pdb=" N ARG F 495 " --> pdb=" O PHE F 491 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N GLN F 499 " --> pdb=" O ARG F 495 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N HIS F 503 " --> pdb=" O GLN F 499 " (cutoff:3.500A) Processing helix chain 'F' and resid 516 through 528 removed outlier: 3.788A pdb=" N GLN F 520 " --> pdb=" O ASN F 516 " (cutoff:3.500A) Proline residue: F 526 - end of helix Processing helix chain 'F' and resid 532 through 549 removed outlier: 3.788A pdb=" N LEU F 538 " --> pdb=" O LYS F 534 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N PHE F 545 " --> pdb=" O ALA F 541 " (cutoff:3.500A) Proline residue: F 547 - end of helix Processing helix chain 'F' and resid 558 through 568 removed outlier: 4.283A pdb=" N LEU F 562 " --> pdb=" O TYR F 558 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N MET F 567 " --> pdb=" O ARG F 563 " (cutoff:3.500A) removed outlier: 5.194A pdb=" N ALA F 568 " --> pdb=" O ILE F 564 " (cutoff:3.500A) Processing helix chain 'F' and resid 571 through 583 removed outlier: 3.619A pdb=" N GLU F 575 " --> pdb=" O GLU F 571 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N LYS F 579 " --> pdb=" O GLU F 575 " (cutoff:3.500A) Processing helix chain 'G' and resid 11 through 20 removed outlier: 4.306A pdb=" N SER G 17 " --> pdb=" O LYS G 13 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N VAL G 18 " --> pdb=" O ASP G 14 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N PHE G 19 " --> pdb=" O ILE G 15 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLU G 20 " --> pdb=" O LEU G 16 " (cutoff:3.500A) Processing helix chain 'G' and resid 21 through 27 removed outlier: 3.726A pdb=" N ASP G 25 " --> pdb=" O ASP G 21 " (cutoff:3.500A) Processing helix chain 'G' and resid 41 through 51 removed outlier: 3.841A pdb=" N ILE G 49 " --> pdb=" O ILE G 45 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N MET G 50 " --> pdb=" O ASP G 46 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N SER G 51 " --> pdb=" O HIS G 47 " (cutoff:3.500A) Processing helix chain 'G' and resid 53 through 69 removed outlier: 3.973A pdb=" N GLY G 57 " --> pdb=" O ASP G 53 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU G 59 " --> pdb=" O VAL G 55 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LEU G 66 " --> pdb=" O PHE G 62 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLN G 69 " --> pdb=" O LEU G 65 " (cutoff:3.500A) Processing helix chain 'G' and resid 70 through 85 removed outlier: 4.431A pdb=" N GLN G 74 " --> pdb=" O GLU G 70 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N LYS G 75 " --> pdb=" O GLU G 71 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N GLU G 79 " --> pdb=" O LYS G 75 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N VAL G 80 " --> pdb=" O PHE G 76 " (cutoff:3.500A) removed outlier: 4.828A pdb=" N LEU G 81 " --> pdb=" O VAL G 77 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N ASN G 84 " --> pdb=" O VAL G 80 " (cutoff:3.500A) Processing helix chain 'G' and resid 86 through 98 removed outlier: 3.534A pdb=" N SER G 90 " --> pdb=" O LYS G 86 " (cutoff:3.500A) Proline residue: G 91 - end of helix removed outlier: 3.751A pdb=" N GLU G 95 " --> pdb=" O PRO G 91 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N ARG G 97 " --> pdb=" O LYS G 93 " (cutoff:3.500A) Processing helix chain 'G' and resid 100 through 118 removed outlier: 3.565A pdb=" N ARG G 112 " --> pdb=" O GLU G 108 " (cutoff:3.500A) Processing helix chain 'G' and resid 128 through 141 removed outlier: 3.637A pdb=" N GLN G 136 " --> pdb=" O LEU G 132 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N ALA G 137 " --> pdb=" O LYS G 133 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLU G 140 " --> pdb=" O GLN G 136 " (cutoff:3.500A) Processing helix chain 'G' and resid 156 through 168 removed outlier: 3.566A pdb=" N VAL G 160 " --> pdb=" O GLY G 156 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N TYR G 168 " --> pdb=" O VAL G 164 " (cutoff:3.500A) Processing helix chain 'G' and resid 169 through 175 removed outlier: 3.694A pdb=" N LYS G 173 " --> pdb=" O LYS G 169 " (cutoff:3.500A) Processing helix chain 'G' and resid 188 through 204 removed outlier: 4.518A pdb=" N VAL G 192 " --> pdb=" O SER G 188 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N LEU G 193 " --> pdb=" O PRO G 189 " (cutoff:3.500A) Processing helix chain 'G' and resid 216 through 233 removed outlier: 3.679A pdb=" N ILE G 221 " --> pdb=" O ILE G 217 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N HIS G 222 " --> pdb=" O LYS G 218 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N SER G 223 " --> pdb=" O LEU G 219 " (cutoff:3.500A) Processing helix chain 'G' and resid 249 through 257 removed outlier: 3.710A pdb=" N TRP G 253 " --> pdb=" O ASN G 249 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N ALA G 255 " --> pdb=" O LYS G 251 " (cutoff:3.500A) Processing helix chain 'G' and resid 268 through 276 removed outlier: 5.781A pdb=" N SER G 276 " --> pdb=" O THR G 272 " (cutoff:3.500A) Processing helix chain 'G' and resid 287 through 292 removed outlier: 5.362A pdb=" N LEU G 292 " --> pdb=" O HIS G 288 " (cutoff:3.500A) Processing helix chain 'G' and resid 293 through 306 removed outlier: 3.915A pdb=" N VAL G 297 " --> pdb=" O THR G 293 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LYS G 298 " --> pdb=" O PRO G 294 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N LYS G 303 " --> pdb=" O SER G 299 " (cutoff:3.500A) removed outlier: 4.072A pdb=" N TYR G 304 " --> pdb=" O LEU G 300 " (cutoff:3.500A) Processing helix chain 'G' and resid 307 through 314 removed outlier: 3.589A pdb=" N ASP G 311 " --> pdb=" O CYS G 307 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N LEU G 312 " --> pdb=" O ARG G 308 " (cutoff:3.500A) Proline residue: G 313 - end of helix No H-bonds generated for 'chain 'G' and resid 307 through 314' Processing helix chain 'G' and resid 320 through 333 Processing helix chain 'G' and resid 338 through 343 removed outlier: 3.843A pdb=" N LYS G 342 " --> pdb=" O TRP G 338 " (cutoff:3.500A) Processing helix chain 'G' and resid 348 through 359 removed outlier: 3.680A pdb=" N LEU G 357 " --> pdb=" O ILE G 353 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ASN G 358 " --> pdb=" O GLU G 354 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N VAL G 359 " --> pdb=" O SER G 355 " (cutoff:3.500A) Processing helix chain 'G' and resid 364 through 373 removed outlier: 3.641A pdb=" N MET G 368 " --> pdb=" O GLU G 364 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N LEU G 372 " --> pdb=" O MET G 368 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N SER G 373 " --> pdb=" O PHE G 369 " (cutoff:3.500A) Processing helix chain 'G' and resid 382 through 389 removed outlier: 3.791A pdb=" N LEU G 388 " --> pdb=" O ILE G 384 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N ILE G 389 " --> pdb=" O LEU G 385 " (cutoff:3.500A) Processing helix chain 'G' and resid 396 through 409 removed outlier: 3.506A pdb=" N SER G 409 " --> pdb=" O LEU G 405 " (cutoff:3.500A) Processing helix chain 'G' and resid 429 through 435 removed outlier: 3.810A pdb=" N LEU G 433 " --> pdb=" O LEU G 429 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N GLU G 434 " --> pdb=" O LYS G 430 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N ASN G 435 " --> pdb=" O VAL G 431 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 429 through 435' Processing helix chain 'G' and resid 438 through 454 Proline residue: G 450 - end of helix removed outlier: 4.748A pdb=" N ASP G 454 " --> pdb=" O PRO G 450 " (cutoff:3.500A) Processing helix chain 'G' and resid 464 through 479 removed outlier: 5.208A pdb=" N TYR G 468 " --> pdb=" O ASP G 464 " (cutoff:3.500A) removed outlier: 4.897A pdb=" N GLY G 472 " --> pdb=" O TYR G 468 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N HIS G 473 " --> pdb=" O SER G 469 " (cutoff:3.500A) Processing helix chain 'G' and resid 480 through 487 Processing helix chain 'G' and resid 491 through 503 removed outlier: 4.764A pdb=" N ARG G 495 " --> pdb=" O PHE G 491 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N GLN G 499 " --> pdb=" O ARG G 495 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N HIS G 503 " --> pdb=" O GLN G 499 " (cutoff:3.500A) Processing helix chain 'G' and resid 516 through 528 removed outlier: 3.788A pdb=" N GLN G 520 " --> pdb=" O ASN G 516 " (cutoff:3.500A) Proline residue: G 526 - end of helix Processing helix chain 'G' and resid 532 through 549 removed outlier: 3.788A pdb=" N LEU G 538 " --> pdb=" O LYS G 534 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N PHE G 545 " --> pdb=" O ALA G 541 " (cutoff:3.500A) Proline residue: G 547 - end of helix Processing helix chain 'G' and resid 558 through 568 removed outlier: 4.283A pdb=" N LEU G 562 " --> pdb=" O TYR G 558 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N MET G 567 " --> pdb=" O ARG G 563 " (cutoff:3.500A) removed outlier: 5.194A pdb=" N ALA G 568 " --> pdb=" O ILE G 564 " (cutoff:3.500A) Processing helix chain 'G' and resid 571 through 583 removed outlier: 3.620A pdb=" N GLU G 575 " --> pdb=" O GLU G 571 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N LYS G 579 " --> pdb=" O GLU G 575 " (cutoff:3.500A) Processing helix chain 'H' and resid 11 through 20 removed outlier: 4.306A pdb=" N SER H 17 " --> pdb=" O LYS H 13 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N VAL H 18 " --> pdb=" O ASP H 14 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N PHE H 19 " --> pdb=" O ILE H 15 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLU H 20 " --> pdb=" O LEU H 16 " (cutoff:3.500A) Processing helix chain 'H' and resid 21 through 27 removed outlier: 3.726A pdb=" N ASP H 25 " --> pdb=" O ASP H 21 " (cutoff:3.500A) Processing helix chain 'H' and resid 41 through 51 removed outlier: 3.841A pdb=" N ILE H 49 " --> pdb=" O ILE H 45 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N MET H 50 " --> pdb=" O ASP H 46 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N SER H 51 " --> pdb=" O HIS H 47 " (cutoff:3.500A) Processing helix chain 'H' and resid 53 through 69 removed outlier: 3.974A pdb=" N GLY H 57 " --> pdb=" O ASP H 53 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU H 59 " --> pdb=" O VAL H 55 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU H 66 " --> pdb=" O PHE H 62 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLN H 69 " --> pdb=" O LEU H 65 " (cutoff:3.500A) Processing helix chain 'H' and resid 70 through 85 removed outlier: 4.431A pdb=" N GLN H 74 " --> pdb=" O GLU H 70 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N LYS H 75 " --> pdb=" O GLU H 71 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N GLU H 79 " --> pdb=" O LYS H 75 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N VAL H 80 " --> pdb=" O PHE H 76 " (cutoff:3.500A) removed outlier: 4.829A pdb=" N LEU H 81 " --> pdb=" O VAL H 77 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N ASN H 84 " --> pdb=" O VAL H 80 " (cutoff:3.500A) Processing helix chain 'H' and resid 86 through 98 removed outlier: 3.534A pdb=" N SER H 90 " --> pdb=" O LYS H 86 " (cutoff:3.500A) Proline residue: H 91 - end of helix removed outlier: 3.751A pdb=" N GLU H 95 " --> pdb=" O PRO H 91 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N ARG H 97 " --> pdb=" O LYS H 93 " (cutoff:3.500A) Processing helix chain 'H' and resid 100 through 118 removed outlier: 3.566A pdb=" N ARG H 112 " --> pdb=" O GLU H 108 " (cutoff:3.500A) Processing helix chain 'H' and resid 128 through 141 removed outlier: 3.636A pdb=" N GLN H 136 " --> pdb=" O LEU H 132 " (cutoff:3.500A) removed outlier: 4.118A pdb=" N ALA H 137 " --> pdb=" O LYS H 133 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLU H 140 " --> pdb=" O GLN H 136 " (cutoff:3.500A) Processing helix chain 'H' and resid 156 through 168 removed outlier: 3.566A pdb=" N VAL H 160 " --> pdb=" O GLY H 156 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N TYR H 168 " --> pdb=" O VAL H 164 " (cutoff:3.500A) Processing helix chain 'H' and resid 169 through 175 removed outlier: 3.695A pdb=" N LYS H 173 " --> pdb=" O LYS H 169 " (cutoff:3.500A) Processing helix chain 'H' and resid 188 through 204 removed outlier: 4.517A pdb=" N VAL H 192 " --> pdb=" O SER H 188 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N LEU H 193 " --> pdb=" O PRO H 189 " (cutoff:3.500A) Processing helix chain 'H' and resid 216 through 233 removed outlier: 3.679A pdb=" N ILE H 221 " --> pdb=" O ILE H 217 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N HIS H 222 " --> pdb=" O LYS H 218 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N SER H 223 " --> pdb=" O LEU H 219 " (cutoff:3.500A) Processing helix chain 'H' and resid 249 through 257 removed outlier: 3.709A pdb=" N TRP H 253 " --> pdb=" O ASN H 249 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N ALA H 255 " --> pdb=" O LYS H 251 " (cutoff:3.500A) Processing helix chain 'H' and resid 268 through 276 removed outlier: 5.781A pdb=" N SER H 276 " --> pdb=" O THR H 272 " (cutoff:3.500A) Processing helix chain 'H' and resid 287 through 292 removed outlier: 5.362A pdb=" N LEU H 292 " --> pdb=" O HIS H 288 " (cutoff:3.500A) Processing helix chain 'H' and resid 293 through 306 removed outlier: 3.916A pdb=" N VAL H 297 " --> pdb=" O THR H 293 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N LYS H 298 " --> pdb=" O PRO H 294 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N LYS H 303 " --> pdb=" O SER H 299 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N TYR H 304 " --> pdb=" O LEU H 300 " (cutoff:3.500A) Processing helix chain 'H' and resid 307 through 314 removed outlier: 3.589A pdb=" N ASP H 311 " --> pdb=" O CYS H 307 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N LEU H 312 " --> pdb=" O ARG H 308 " (cutoff:3.500A) Proline residue: H 313 - end of helix No H-bonds generated for 'chain 'H' and resid 307 through 314' Processing helix chain 'H' and resid 320 through 333 Processing helix chain 'H' and resid 338 through 343 removed outlier: 3.842A pdb=" N LYS H 342 " --> pdb=" O TRP H 338 " (cutoff:3.500A) Processing helix chain 'H' and resid 348 through 359 removed outlier: 3.680A pdb=" N LEU H 357 " --> pdb=" O ILE H 353 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ASN H 358 " --> pdb=" O GLU H 354 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N VAL H 359 " --> pdb=" O SER H 355 " (cutoff:3.500A) Processing helix chain 'H' and resid 364 through 373 removed outlier: 3.642A pdb=" N MET H 368 " --> pdb=" O GLU H 364 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N LEU H 372 " --> pdb=" O MET H 368 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N SER H 373 " --> pdb=" O PHE H 369 " (cutoff:3.500A) Processing helix chain 'H' and resid 382 through 389 removed outlier: 3.791A pdb=" N LEU H 388 " --> pdb=" O ILE H 384 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N ILE H 389 " --> pdb=" O LEU H 385 " (cutoff:3.500A) Processing helix chain 'H' and resid 396 through 409 removed outlier: 3.506A pdb=" N SER H 409 " --> pdb=" O LEU H 405 " (cutoff:3.500A) Processing helix chain 'H' and resid 429 through 435 removed outlier: 3.810A pdb=" N LEU H 433 " --> pdb=" O LEU H 429 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N GLU H 434 " --> pdb=" O LYS H 430 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N ASN H 435 " --> pdb=" O VAL H 431 " (cutoff:3.500A) No H-bonds generated for 'chain 'H' and resid 429 through 435' Processing helix chain 'H' and resid 438 through 454 Proline residue: H 450 - end of helix removed outlier: 4.748A pdb=" N ASP H 454 " --> pdb=" O PRO H 450 " (cutoff:3.500A) Processing helix chain 'H' and resid 464 through 479 removed outlier: 5.209A pdb=" N TYR H 468 " --> pdb=" O ASP H 464 " (cutoff:3.500A) removed outlier: 4.896A pdb=" N GLY H 472 " --> pdb=" O TYR H 468 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N HIS H 473 " --> pdb=" O SER H 469 " (cutoff:3.500A) Processing helix chain 'H' and resid 480 through 487 Processing helix chain 'H' and resid 491 through 503 removed outlier: 4.764A pdb=" N ARG H 495 " --> pdb=" O PHE H 491 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N GLN H 499 " --> pdb=" O ARG H 495 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N HIS H 503 " --> pdb=" O GLN H 499 " (cutoff:3.500A) Processing helix chain 'H' and resid 516 through 528 removed outlier: 3.788A pdb=" N GLN H 520 " --> pdb=" O ASN H 516 " (cutoff:3.500A) Proline residue: H 526 - end of helix Processing helix chain 'H' and resid 532 through 549 removed outlier: 3.788A pdb=" N LEU H 538 " --> pdb=" O LYS H 534 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N PHE H 545 " --> pdb=" O ALA H 541 " (cutoff:3.500A) Proline residue: H 547 - end of helix Processing helix chain 'H' and resid 558 through 568 removed outlier: 4.283A pdb=" N LEU H 562 " --> pdb=" O TYR H 558 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N MET H 567 " --> pdb=" O ARG H 563 " (cutoff:3.500A) removed outlier: 5.194A pdb=" N ALA H 568 " --> pdb=" O ILE H 564 " (cutoff:3.500A) Processing helix chain 'H' and resid 571 through 583 removed outlier: 3.619A pdb=" N GLU H 575 " --> pdb=" O GLU H 571 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N LYS H 579 " --> pdb=" O GLU H 575 " (cutoff:3.500A) Processing helix chain 'I' and resid 11 through 20 removed outlier: 4.306A pdb=" N SER I 17 " --> pdb=" O LYS I 13 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N VAL I 18 " --> pdb=" O ASP I 14 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N PHE I 19 " --> pdb=" O ILE I 15 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLU I 20 " --> pdb=" O LEU I 16 " (cutoff:3.500A) Processing helix chain 'I' and resid 21 through 27 removed outlier: 3.726A pdb=" N ASP I 25 " --> pdb=" O ASP I 21 " (cutoff:3.500A) Processing helix chain 'I' and resid 41 through 51 removed outlier: 3.841A pdb=" N ILE I 49 " --> pdb=" O ILE I 45 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N MET I 50 " --> pdb=" O ASP I 46 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N SER I 51 " --> pdb=" O HIS I 47 " (cutoff:3.500A) Processing helix chain 'I' and resid 53 through 69 removed outlier: 3.973A pdb=" N GLY I 57 " --> pdb=" O ASP I 53 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU I 59 " --> pdb=" O VAL I 55 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LEU I 66 " --> pdb=" O PHE I 62 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLN I 69 " --> pdb=" O LEU I 65 " (cutoff:3.500A) Processing helix chain 'I' and resid 70 through 85 removed outlier: 4.431A pdb=" N GLN I 74 " --> pdb=" O GLU I 70 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N LYS I 75 " --> pdb=" O GLU I 71 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N GLU I 79 " --> pdb=" O LYS I 75 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N VAL I 80 " --> pdb=" O PHE I 76 " (cutoff:3.500A) removed outlier: 4.828A pdb=" N LEU I 81 " --> pdb=" O VAL I 77 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N ASN I 84 " --> pdb=" O VAL I 80 " (cutoff:3.500A) Processing helix chain 'I' and resid 86 through 98 removed outlier: 3.534A pdb=" N SER I 90 " --> pdb=" O LYS I 86 " (cutoff:3.500A) Proline residue: I 91 - end of helix removed outlier: 3.751A pdb=" N GLU I 95 " --> pdb=" O PRO I 91 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N ARG I 97 " --> pdb=" O LYS I 93 " (cutoff:3.500A) Processing helix chain 'I' and resid 100 through 118 removed outlier: 3.565A pdb=" N ARG I 112 " --> pdb=" O GLU I 108 " (cutoff:3.500A) Processing helix chain 'I' and resid 128 through 141 removed outlier: 3.637A pdb=" N GLN I 136 " --> pdb=" O LEU I 132 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N ALA I 137 " --> pdb=" O LYS I 133 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLU I 140 " --> pdb=" O GLN I 136 " (cutoff:3.500A) Processing helix chain 'I' and resid 156 through 168 removed outlier: 3.566A pdb=" N VAL I 160 " --> pdb=" O GLY I 156 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N TYR I 168 " --> pdb=" O VAL I 164 " (cutoff:3.500A) Processing helix chain 'I' and resid 169 through 175 removed outlier: 3.694A pdb=" N LYS I 173 " --> pdb=" O LYS I 169 " (cutoff:3.500A) Processing helix chain 'I' and resid 188 through 204 removed outlier: 4.518A pdb=" N VAL I 192 " --> pdb=" O SER I 188 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N LEU I 193 " --> pdb=" O PRO I 189 " (cutoff:3.500A) Processing helix chain 'I' and resid 216 through 233 removed outlier: 3.679A pdb=" N ILE I 221 " --> pdb=" O ILE I 217 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N HIS I 222 " --> pdb=" O LYS I 218 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N SER I 223 " --> pdb=" O LEU I 219 " (cutoff:3.500A) Processing helix chain 'I' and resid 249 through 257 removed outlier: 3.710A pdb=" N TRP I 253 " --> pdb=" O ASN I 249 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N ALA I 255 " --> pdb=" O LYS I 251 " (cutoff:3.500A) Processing helix chain 'I' and resid 268 through 276 removed outlier: 5.781A pdb=" N SER I 276 " --> pdb=" O THR I 272 " (cutoff:3.500A) Processing helix chain 'I' and resid 287 through 292 removed outlier: 5.362A pdb=" N LEU I 292 " --> pdb=" O HIS I 288 " (cutoff:3.500A) Processing helix chain 'I' and resid 293 through 306 removed outlier: 3.915A pdb=" N VAL I 297 " --> pdb=" O THR I 293 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LYS I 298 " --> pdb=" O PRO I 294 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N LYS I 303 " --> pdb=" O SER I 299 " (cutoff:3.500A) removed outlier: 4.072A pdb=" N TYR I 304 " --> pdb=" O LEU I 300 " (cutoff:3.500A) Processing helix chain 'I' and resid 307 through 314 removed outlier: 3.589A pdb=" N ASP I 311 " --> pdb=" O CYS I 307 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N LEU I 312 " --> pdb=" O ARG I 308 " (cutoff:3.500A) Proline residue: I 313 - end of helix No H-bonds generated for 'chain 'I' and resid 307 through 314' Processing helix chain 'I' and resid 320 through 333 Processing helix chain 'I' and resid 338 through 343 removed outlier: 3.843A pdb=" N LYS I 342 " --> pdb=" O TRP I 338 " (cutoff:3.500A) Processing helix chain 'I' and resid 348 through 359 removed outlier: 3.680A pdb=" N LEU I 357 " --> pdb=" O ILE I 353 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ASN I 358 " --> pdb=" O GLU I 354 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N VAL I 359 " --> pdb=" O SER I 355 " (cutoff:3.500A) Processing helix chain 'I' and resid 364 through 373 removed outlier: 3.641A pdb=" N MET I 368 " --> pdb=" O GLU I 364 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N LEU I 372 " --> pdb=" O MET I 368 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N SER I 373 " --> pdb=" O PHE I 369 " (cutoff:3.500A) Processing helix chain 'I' and resid 382 through 389 removed outlier: 3.791A pdb=" N LEU I 388 " --> pdb=" O ILE I 384 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N ILE I 389 " --> pdb=" O LEU I 385 " (cutoff:3.500A) Processing helix chain 'I' and resid 396 through 409 removed outlier: 3.506A pdb=" N SER I 409 " --> pdb=" O LEU I 405 " (cutoff:3.500A) Processing helix chain 'I' and resid 429 through 435 removed outlier: 3.810A pdb=" N LEU I 433 " --> pdb=" O LEU I 429 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N GLU I 434 " --> pdb=" O LYS I 430 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N ASN I 435 " --> pdb=" O VAL I 431 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 429 through 435' Processing helix chain 'I' and resid 438 through 454 Proline residue: I 450 - end of helix removed outlier: 4.748A pdb=" N ASP I 454 " --> pdb=" O PRO I 450 " (cutoff:3.500A) Processing helix chain 'I' and resid 464 through 479 removed outlier: 5.208A pdb=" N TYR I 468 " --> pdb=" O ASP I 464 " (cutoff:3.500A) removed outlier: 4.897A pdb=" N GLY I 472 " --> pdb=" O TYR I 468 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N HIS I 473 " --> pdb=" O SER I 469 " (cutoff:3.500A) Processing helix chain 'I' and resid 480 through 487 Processing helix chain 'I' and resid 491 through 503 removed outlier: 4.764A pdb=" N ARG I 495 " --> pdb=" O PHE I 491 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N GLN I 499 " --> pdb=" O ARG I 495 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N HIS I 503 " --> pdb=" O GLN I 499 " (cutoff:3.500A) Processing helix chain 'I' and resid 516 through 528 removed outlier: 3.788A pdb=" N GLN I 520 " --> pdb=" O ASN I 516 " (cutoff:3.500A) Proline residue: I 526 - end of helix Processing helix chain 'I' and resid 532 through 549 removed outlier: 3.788A pdb=" N LEU I 538 " --> pdb=" O LYS I 534 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N PHE I 545 " --> pdb=" O ALA I 541 " (cutoff:3.500A) Proline residue: I 547 - end of helix Processing helix chain 'I' and resid 558 through 568 removed outlier: 4.283A pdb=" N LEU I 562 " --> pdb=" O TYR I 558 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N MET I 567 " --> pdb=" O ARG I 563 " (cutoff:3.500A) removed outlier: 5.194A pdb=" N ALA I 568 " --> pdb=" O ILE I 564 " (cutoff:3.500A) Processing helix chain 'I' and resid 571 through 583 removed outlier: 3.620A pdb=" N GLU I 575 " --> pdb=" O GLU I 571 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N LYS I 579 " --> pdb=" O GLU I 575 " (cutoff:3.500A) Processing helix chain 'J' and resid 11 through 20 removed outlier: 4.306A pdb=" N SER J 17 " --> pdb=" O LYS J 13 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N VAL J 18 " --> pdb=" O ASP J 14 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N PHE J 19 " --> pdb=" O ILE J 15 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLU J 20 " --> pdb=" O LEU J 16 " (cutoff:3.500A) Processing helix chain 'J' and resid 21 through 27 removed outlier: 3.726A pdb=" N ASP J 25 " --> pdb=" O ASP J 21 " (cutoff:3.500A) Processing helix chain 'J' and resid 41 through 51 removed outlier: 3.841A pdb=" N ILE J 49 " --> pdb=" O ILE J 45 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N MET J 50 " --> pdb=" O ASP J 46 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N SER J 51 " --> pdb=" O HIS J 47 " (cutoff:3.500A) Processing helix chain 'J' and resid 53 through 69 removed outlier: 3.974A pdb=" N GLY J 57 " --> pdb=" O ASP J 53 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU J 59 " --> pdb=" O VAL J 55 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU J 66 " --> pdb=" O PHE J 62 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLN J 69 " --> pdb=" O LEU J 65 " (cutoff:3.500A) Processing helix chain 'J' and resid 70 through 85 removed outlier: 4.431A pdb=" N GLN J 74 " --> pdb=" O GLU J 70 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N LYS J 75 " --> pdb=" O GLU J 71 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N GLU J 79 " --> pdb=" O LYS J 75 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N VAL J 80 " --> pdb=" O PHE J 76 " (cutoff:3.500A) removed outlier: 4.829A pdb=" N LEU J 81 " --> pdb=" O VAL J 77 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N ASN J 84 " --> pdb=" O VAL J 80 " (cutoff:3.500A) Processing helix chain 'J' and resid 86 through 98 removed outlier: 3.534A pdb=" N SER J 90 " --> pdb=" O LYS J 86 " (cutoff:3.500A) Proline residue: J 91 - end of helix removed outlier: 3.751A pdb=" N GLU J 95 " --> pdb=" O PRO J 91 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N ARG J 97 " --> pdb=" O LYS J 93 " (cutoff:3.500A) Processing helix chain 'J' and resid 100 through 118 removed outlier: 3.566A pdb=" N ARG J 112 " --> pdb=" O GLU J 108 " (cutoff:3.500A) Processing helix chain 'J' and resid 128 through 141 removed outlier: 3.636A pdb=" N GLN J 136 " --> pdb=" O LEU J 132 " (cutoff:3.500A) removed outlier: 4.118A pdb=" N ALA J 137 " --> pdb=" O LYS J 133 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLU J 140 " --> pdb=" O GLN J 136 " (cutoff:3.500A) Processing helix chain 'J' and resid 156 through 168 removed outlier: 3.566A pdb=" N VAL J 160 " --> pdb=" O GLY J 156 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N TYR J 168 " --> pdb=" O VAL J 164 " (cutoff:3.500A) Processing helix chain 'J' and resid 169 through 175 removed outlier: 3.695A pdb=" N LYS J 173 " --> pdb=" O LYS J 169 " (cutoff:3.500A) Processing helix chain 'J' and resid 188 through 204 removed outlier: 4.517A pdb=" N VAL J 192 " --> pdb=" O SER J 188 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N LEU J 193 " --> pdb=" O PRO J 189 " (cutoff:3.500A) Processing helix chain 'J' and resid 216 through 233 removed outlier: 3.679A pdb=" N ILE J 221 " --> pdb=" O ILE J 217 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N HIS J 222 " --> pdb=" O LYS J 218 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N SER J 223 " --> pdb=" O LEU J 219 " (cutoff:3.500A) Processing helix chain 'J' and resid 249 through 257 removed outlier: 3.709A pdb=" N TRP J 253 " --> pdb=" O ASN J 249 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N ALA J 255 " --> pdb=" O LYS J 251 " (cutoff:3.500A) Processing helix chain 'J' and resid 268 through 276 removed outlier: 5.781A pdb=" N SER J 276 " --> pdb=" O THR J 272 " (cutoff:3.500A) Processing helix chain 'J' and resid 287 through 292 removed outlier: 5.362A pdb=" N LEU J 292 " --> pdb=" O HIS J 288 " (cutoff:3.500A) Processing helix chain 'J' and resid 293 through 306 removed outlier: 3.916A pdb=" N VAL J 297 " --> pdb=" O THR J 293 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N LYS J 298 " --> pdb=" O PRO J 294 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N LYS J 303 " --> pdb=" O SER J 299 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N TYR J 304 " --> pdb=" O LEU J 300 " (cutoff:3.500A) Processing helix chain 'J' and resid 307 through 314 removed outlier: 3.589A pdb=" N ASP J 311 " --> pdb=" O CYS J 307 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N LEU J 312 " --> pdb=" O ARG J 308 " (cutoff:3.500A) Proline residue: J 313 - end of helix No H-bonds generated for 'chain 'J' and resid 307 through 314' Processing helix chain 'J' and resid 320 through 333 Processing helix chain 'J' and resid 338 through 343 removed outlier: 3.842A pdb=" N LYS J 342 " --> pdb=" O TRP J 338 " (cutoff:3.500A) Processing helix chain 'J' and resid 348 through 359 removed outlier: 3.680A pdb=" N LEU J 357 " --> pdb=" O ILE J 353 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ASN J 358 " --> pdb=" O GLU J 354 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N VAL J 359 " --> pdb=" O SER J 355 " (cutoff:3.500A) Processing helix chain 'J' and resid 364 through 373 removed outlier: 3.642A pdb=" N MET J 368 " --> pdb=" O GLU J 364 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N LEU J 372 " --> pdb=" O MET J 368 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N SER J 373 " --> pdb=" O PHE J 369 " (cutoff:3.500A) Processing helix chain 'J' and resid 382 through 389 removed outlier: 3.791A pdb=" N LEU J 388 " --> pdb=" O ILE J 384 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N ILE J 389 " --> pdb=" O LEU J 385 " (cutoff:3.500A) Processing helix chain 'J' and resid 396 through 409 removed outlier: 3.506A pdb=" N SER J 409 " --> pdb=" O LEU J 405 " (cutoff:3.500A) Processing helix chain 'J' and resid 429 through 435 removed outlier: 3.810A pdb=" N LEU J 433 " --> pdb=" O LEU J 429 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N GLU J 434 " --> pdb=" O LYS J 430 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N ASN J 435 " --> pdb=" O VAL J 431 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 429 through 435' Processing helix chain 'J' and resid 438 through 454 Proline residue: J 450 - end of helix removed outlier: 4.748A pdb=" N ASP J 454 " --> pdb=" O PRO J 450 " (cutoff:3.500A) Processing helix chain 'J' and resid 464 through 479 removed outlier: 5.209A pdb=" N TYR J 468 " --> pdb=" O ASP J 464 " (cutoff:3.500A) removed outlier: 4.896A pdb=" N GLY J 472 " --> pdb=" O TYR J 468 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N HIS J 473 " --> pdb=" O SER J 469 " (cutoff:3.500A) Processing helix chain 'J' and resid 480 through 487 Processing helix chain 'J' and resid 491 through 503 removed outlier: 4.764A pdb=" N ARG J 495 " --> pdb=" O PHE J 491 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N GLN J 499 " --> pdb=" O ARG J 495 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N HIS J 503 " --> pdb=" O GLN J 499 " (cutoff:3.500A) Processing helix chain 'J' and resid 516 through 528 removed outlier: 3.788A pdb=" N GLN J 520 " --> pdb=" O ASN J 516 " (cutoff:3.500A) Proline residue: J 526 - end of helix Processing helix chain 'J' and resid 532 through 549 removed outlier: 3.788A pdb=" N LEU J 538 " --> pdb=" O LYS J 534 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N PHE J 545 " --> pdb=" O ALA J 541 " (cutoff:3.500A) Proline residue: J 547 - end of helix Processing helix chain 'J' and resid 558 through 568 removed outlier: 4.283A pdb=" N LEU J 562 " --> pdb=" O TYR J 558 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N MET J 567 " --> pdb=" O ARG J 563 " (cutoff:3.500A) removed outlier: 5.194A pdb=" N ALA J 568 " --> pdb=" O ILE J 564 " (cutoff:3.500A) Processing helix chain 'J' and resid 571 through 583 removed outlier: 3.619A pdb=" N GLU J 575 " --> pdb=" O GLU J 571 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N LYS J 579 " --> pdb=" O GLU J 575 " (cutoff:3.500A) Processing helix chain 'K' and resid 11 through 20 removed outlier: 4.306A pdb=" N SER K 17 " --> pdb=" O LYS K 13 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N VAL K 18 " --> pdb=" O ASP K 14 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N PHE K 19 " --> pdb=" O ILE K 15 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLU K 20 " --> pdb=" O LEU K 16 " (cutoff:3.500A) Processing helix chain 'K' and resid 21 through 27 removed outlier: 3.726A pdb=" N ASP K 25 " --> pdb=" O ASP K 21 " (cutoff:3.500A) Processing helix chain 'K' and resid 41 through 51 removed outlier: 3.841A pdb=" N ILE K 49 " --> pdb=" O ILE K 45 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N MET K 50 " --> pdb=" O ASP K 46 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N SER K 51 " --> pdb=" O HIS K 47 " (cutoff:3.500A) Processing helix chain 'K' and resid 53 through 69 removed outlier: 3.973A pdb=" N GLY K 57 " --> pdb=" O ASP K 53 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU K 59 " --> pdb=" O VAL K 55 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LEU K 66 " --> pdb=" O PHE K 62 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLN K 69 " --> pdb=" O LEU K 65 " (cutoff:3.500A) Processing helix chain 'K' and resid 70 through 85 removed outlier: 4.431A pdb=" N GLN K 74 " --> pdb=" O GLU K 70 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N LYS K 75 " --> pdb=" O GLU K 71 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N GLU K 79 " --> pdb=" O LYS K 75 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N VAL K 80 " --> pdb=" O PHE K 76 " (cutoff:3.500A) removed outlier: 4.828A pdb=" N LEU K 81 " --> pdb=" O VAL K 77 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N ASN K 84 " --> pdb=" O VAL K 80 " (cutoff:3.500A) Processing helix chain 'K' and resid 86 through 98 removed outlier: 3.534A pdb=" N SER K 90 " --> pdb=" O LYS K 86 " (cutoff:3.500A) Proline residue: K 91 - end of helix removed outlier: 3.751A pdb=" N GLU K 95 " --> pdb=" O PRO K 91 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N ARG K 97 " --> pdb=" O LYS K 93 " (cutoff:3.500A) Processing helix chain 'K' and resid 100 through 118 removed outlier: 3.565A pdb=" N ARG K 112 " --> pdb=" O GLU K 108 " (cutoff:3.500A) Processing helix chain 'K' and resid 128 through 141 removed outlier: 3.637A pdb=" N GLN K 136 " --> pdb=" O LEU K 132 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N ALA K 137 " --> pdb=" O LYS K 133 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLU K 140 " --> pdb=" O GLN K 136 " (cutoff:3.500A) Processing helix chain 'K' and resid 156 through 168 removed outlier: 3.566A pdb=" N VAL K 160 " --> pdb=" O GLY K 156 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N TYR K 168 " --> pdb=" O VAL K 164 " (cutoff:3.500A) Processing helix chain 'K' and resid 169 through 175 removed outlier: 3.694A pdb=" N LYS K 173 " --> pdb=" O LYS K 169 " (cutoff:3.500A) Processing helix chain 'K' and resid 188 through 204 removed outlier: 4.518A pdb=" N VAL K 192 " --> pdb=" O SER K 188 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N LEU K 193 " --> pdb=" O PRO K 189 " (cutoff:3.500A) Processing helix chain 'K' and resid 216 through 233 removed outlier: 3.679A pdb=" N ILE K 221 " --> pdb=" O ILE K 217 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N HIS K 222 " --> pdb=" O LYS K 218 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N SER K 223 " --> pdb=" O LEU K 219 " (cutoff:3.500A) Processing helix chain 'K' and resid 249 through 257 removed outlier: 3.710A pdb=" N TRP K 253 " --> pdb=" O ASN K 249 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N ALA K 255 " --> pdb=" O LYS K 251 " (cutoff:3.500A) Processing helix chain 'K' and resid 268 through 276 removed outlier: 5.781A pdb=" N SER K 276 " --> pdb=" O THR K 272 " (cutoff:3.500A) Processing helix chain 'K' and resid 287 through 292 removed outlier: 5.362A pdb=" N LEU K 292 " --> pdb=" O HIS K 288 " (cutoff:3.500A) Processing helix chain 'K' and resid 293 through 306 removed outlier: 3.915A pdb=" N VAL K 297 " --> pdb=" O THR K 293 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LYS K 298 " --> pdb=" O PRO K 294 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N LYS K 303 " --> pdb=" O SER K 299 " (cutoff:3.500A) removed outlier: 4.072A pdb=" N TYR K 304 " --> pdb=" O LEU K 300 " (cutoff:3.500A) Processing helix chain 'K' and resid 307 through 314 removed outlier: 3.589A pdb=" N ASP K 311 " --> pdb=" O CYS K 307 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N LEU K 312 " --> pdb=" O ARG K 308 " (cutoff:3.500A) Proline residue: K 313 - end of helix No H-bonds generated for 'chain 'K' and resid 307 through 314' Processing helix chain 'K' and resid 320 through 333 Processing helix chain 'K' and resid 338 through 343 removed outlier: 3.843A pdb=" N LYS K 342 " --> pdb=" O TRP K 338 " (cutoff:3.500A) Processing helix chain 'K' and resid 348 through 359 removed outlier: 3.680A pdb=" N LEU K 357 " --> pdb=" O ILE K 353 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ASN K 358 " --> pdb=" O GLU K 354 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N VAL K 359 " --> pdb=" O SER K 355 " (cutoff:3.500A) Processing helix chain 'K' and resid 364 through 373 removed outlier: 3.641A pdb=" N MET K 368 " --> pdb=" O GLU K 364 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N LEU K 372 " --> pdb=" O MET K 368 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N SER K 373 " --> pdb=" O PHE K 369 " (cutoff:3.500A) Processing helix chain 'K' and resid 382 through 389 removed outlier: 3.791A pdb=" N LEU K 388 " --> pdb=" O ILE K 384 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N ILE K 389 " --> pdb=" O LEU K 385 " (cutoff:3.500A) Processing helix chain 'K' and resid 396 through 409 removed outlier: 3.506A pdb=" N SER K 409 " --> pdb=" O LEU K 405 " (cutoff:3.500A) Processing helix chain 'K' and resid 429 through 435 removed outlier: 3.810A pdb=" N LEU K 433 " --> pdb=" O LEU K 429 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N GLU K 434 " --> pdb=" O LYS K 430 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N ASN K 435 " --> pdb=" O VAL K 431 " (cutoff:3.500A) No H-bonds generated for 'chain 'K' and resid 429 through 435' Processing helix chain 'K' and resid 438 through 454 Proline residue: K 450 - end of helix removed outlier: 4.748A pdb=" N ASP K 454 " --> pdb=" O PRO K 450 " (cutoff:3.500A) Processing helix chain 'K' and resid 464 through 479 removed outlier: 5.209A pdb=" N TYR K 468 " --> pdb=" O ASP K 464 " (cutoff:3.500A) removed outlier: 4.897A pdb=" N GLY K 472 " --> pdb=" O TYR K 468 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N HIS K 473 " --> pdb=" O SER K 469 " (cutoff:3.500A) Processing helix chain 'K' and resid 480 through 487 Processing helix chain 'K' and resid 491 through 503 removed outlier: 4.764A pdb=" N ARG K 495 " --> pdb=" O PHE K 491 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N GLN K 499 " --> pdb=" O ARG K 495 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N HIS K 503 " --> pdb=" O GLN K 499 " (cutoff:3.500A) Processing helix chain 'K' and resid 516 through 528 removed outlier: 3.788A pdb=" N GLN K 520 " --> pdb=" O ASN K 516 " (cutoff:3.500A) Proline residue: K 526 - end of helix Processing helix chain 'K' and resid 532 through 549 removed outlier: 3.788A pdb=" N LEU K 538 " --> pdb=" O LYS K 534 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N PHE K 545 " --> pdb=" O ALA K 541 " (cutoff:3.500A) Proline residue: K 547 - end of helix Processing helix chain 'K' and resid 558 through 568 removed outlier: 4.283A pdb=" N LEU K 562 " --> pdb=" O TYR K 558 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N MET K 567 " --> pdb=" O ARG K 563 " (cutoff:3.500A) removed outlier: 5.194A pdb=" N ALA K 568 " --> pdb=" O ILE K 564 " (cutoff:3.500A) Processing helix chain 'K' and resid 571 through 583 removed outlier: 3.620A pdb=" N GLU K 575 " --> pdb=" O GLU K 571 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N LYS K 579 " --> pdb=" O GLU K 575 " (cutoff:3.500A) Processing helix chain 'L' and resid 11 through 20 removed outlier: 4.306A pdb=" N SER L 17 " --> pdb=" O LYS L 13 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N VAL L 18 " --> pdb=" O ASP L 14 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N PHE L 19 " --> pdb=" O ILE L 15 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLU L 20 " --> pdb=" O LEU L 16 " (cutoff:3.500A) Processing helix chain 'L' and resid 21 through 27 removed outlier: 3.726A pdb=" N ASP L 25 " --> pdb=" O ASP L 21 " (cutoff:3.500A) Processing helix chain 'L' and resid 41 through 51 removed outlier: 3.841A pdb=" N ILE L 49 " --> pdb=" O ILE L 45 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N MET L 50 " --> pdb=" O ASP L 46 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N SER L 51 " --> pdb=" O HIS L 47 " (cutoff:3.500A) Processing helix chain 'L' and resid 53 through 69 removed outlier: 3.974A pdb=" N GLY L 57 " --> pdb=" O ASP L 53 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU L 59 " --> pdb=" O VAL L 55 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU L 66 " --> pdb=" O PHE L 62 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLN L 69 " --> pdb=" O LEU L 65 " (cutoff:3.500A) Processing helix chain 'L' and resid 70 through 85 removed outlier: 4.431A pdb=" N GLN L 74 " --> pdb=" O GLU L 70 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N LYS L 75 " --> pdb=" O GLU L 71 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N GLU L 79 " --> pdb=" O LYS L 75 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N VAL L 80 " --> pdb=" O PHE L 76 " (cutoff:3.500A) removed outlier: 4.829A pdb=" N LEU L 81 " --> pdb=" O VAL L 77 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N ASN L 84 " --> pdb=" O VAL L 80 " (cutoff:3.500A) Processing helix chain 'L' and resid 86 through 98 removed outlier: 3.534A pdb=" N SER L 90 " --> pdb=" O LYS L 86 " (cutoff:3.500A) Proline residue: L 91 - end of helix removed outlier: 3.751A pdb=" N GLU L 95 " --> pdb=" O PRO L 91 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N ARG L 97 " --> pdb=" O LYS L 93 " (cutoff:3.500A) Processing helix chain 'L' and resid 100 through 118 removed outlier: 3.566A pdb=" N ARG L 112 " --> pdb=" O GLU L 108 " (cutoff:3.500A) Processing helix chain 'L' and resid 128 through 141 removed outlier: 3.636A pdb=" N GLN L 136 " --> pdb=" O LEU L 132 " (cutoff:3.500A) removed outlier: 4.118A pdb=" N ALA L 137 " --> pdb=" O LYS L 133 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLU L 140 " --> pdb=" O GLN L 136 " (cutoff:3.500A) Processing helix chain 'L' and resid 156 through 168 removed outlier: 3.566A pdb=" N VAL L 160 " --> pdb=" O GLY L 156 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N TYR L 168 " --> pdb=" O VAL L 164 " (cutoff:3.500A) Processing helix chain 'L' and resid 169 through 175 removed outlier: 3.695A pdb=" N LYS L 173 " --> pdb=" O LYS L 169 " (cutoff:3.500A) Processing helix chain 'L' and resid 188 through 204 removed outlier: 4.517A pdb=" N VAL L 192 " --> pdb=" O SER L 188 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N LEU L 193 " --> pdb=" O PRO L 189 " (cutoff:3.500A) Processing helix chain 'L' and resid 216 through 233 removed outlier: 3.679A pdb=" N ILE L 221 " --> pdb=" O ILE L 217 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N HIS L 222 " --> pdb=" O LYS L 218 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N SER L 223 " --> pdb=" O LEU L 219 " (cutoff:3.500A) Processing helix chain 'L' and resid 249 through 257 removed outlier: 3.709A pdb=" N TRP L 253 " --> pdb=" O ASN L 249 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N ALA L 255 " --> pdb=" O LYS L 251 " (cutoff:3.500A) Processing helix chain 'L' and resid 268 through 276 removed outlier: 5.781A pdb=" N SER L 276 " --> pdb=" O THR L 272 " (cutoff:3.500A) Processing helix chain 'L' and resid 287 through 292 removed outlier: 5.362A pdb=" N LEU L 292 " --> pdb=" O HIS L 288 " (cutoff:3.500A) Processing helix chain 'L' and resid 293 through 306 removed outlier: 3.916A pdb=" N VAL L 297 " --> pdb=" O THR L 293 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N LYS L 298 " --> pdb=" O PRO L 294 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N LYS L 303 " --> pdb=" O SER L 299 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N TYR L 304 " --> pdb=" O LEU L 300 " (cutoff:3.500A) Processing helix chain 'L' and resid 307 through 314 removed outlier: 3.589A pdb=" N ASP L 311 " --> pdb=" O CYS L 307 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N LEU L 312 " --> pdb=" O ARG L 308 " (cutoff:3.500A) Proline residue: L 313 - end of helix No H-bonds generated for 'chain 'L' and resid 307 through 314' Processing helix chain 'L' and resid 320 through 333 Processing helix chain 'L' and resid 338 through 343 removed outlier: 3.842A pdb=" N LYS L 342 " --> pdb=" O TRP L 338 " (cutoff:3.500A) Processing helix chain 'L' and resid 348 through 359 removed outlier: 3.680A pdb=" N LEU L 357 " --> pdb=" O ILE L 353 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ASN L 358 " --> pdb=" O GLU L 354 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N VAL L 359 " --> pdb=" O SER L 355 " (cutoff:3.500A) Processing helix chain 'L' and resid 364 through 373 removed outlier: 3.642A pdb=" N MET L 368 " --> pdb=" O GLU L 364 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N LEU L 372 " --> pdb=" O MET L 368 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N SER L 373 " --> pdb=" O PHE L 369 " (cutoff:3.500A) Processing helix chain 'L' and resid 382 through 389 removed outlier: 3.791A pdb=" N LEU L 388 " --> pdb=" O ILE L 384 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N ILE L 389 " --> pdb=" O LEU L 385 " (cutoff:3.500A) Processing helix chain 'L' and resid 396 through 409 removed outlier: 3.506A pdb=" N SER L 409 " --> pdb=" O LEU L 405 " (cutoff:3.500A) Processing helix chain 'L' and resid 429 through 435 removed outlier: 3.810A pdb=" N LEU L 433 " --> pdb=" O LEU L 429 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N GLU L 434 " --> pdb=" O LYS L 430 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N ASN L 435 " --> pdb=" O VAL L 431 " (cutoff:3.500A) No H-bonds generated for 'chain 'L' and resid 429 through 435' Processing helix chain 'L' and resid 438 through 454 Proline residue: L 450 - end of helix removed outlier: 4.748A pdb=" N ASP L 454 " --> pdb=" O PRO L 450 " (cutoff:3.500A) Processing helix chain 'L' and resid 464 through 479 removed outlier: 5.209A pdb=" N TYR L 468 " --> pdb=" O ASP L 464 " (cutoff:3.500A) removed outlier: 4.896A pdb=" N GLY L 472 " --> pdb=" O TYR L 468 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N HIS L 473 " --> pdb=" O SER L 469 " (cutoff:3.500A) Processing helix chain 'L' and resid 480 through 487 Processing helix chain 'L' and resid 491 through 503 removed outlier: 4.764A pdb=" N ARG L 495 " --> pdb=" O PHE L 491 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N GLN L 499 " --> pdb=" O ARG L 495 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N HIS L 503 " --> pdb=" O GLN L 499 " (cutoff:3.500A) Processing helix chain 'L' and resid 516 through 528 removed outlier: 3.788A pdb=" N GLN L 520 " --> pdb=" O ASN L 516 " (cutoff:3.500A) Proline residue: L 526 - end of helix Processing helix chain 'L' and resid 532 through 549 removed outlier: 3.788A pdb=" N LEU L 538 " --> pdb=" O LYS L 534 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N PHE L 545 " --> pdb=" O ALA L 541 " (cutoff:3.500A) Proline residue: L 547 - end of helix Processing helix chain 'L' and resid 558 through 568 removed outlier: 4.283A pdb=" N LEU L 562 " --> pdb=" O TYR L 558 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N MET L 567 " --> pdb=" O ARG L 563 " (cutoff:3.500A) removed outlier: 5.194A pdb=" N ALA L 568 " --> pdb=" O ILE L 564 " (cutoff:3.500A) Processing helix chain 'L' and resid 571 through 583 removed outlier: 3.619A pdb=" N GLU L 575 " --> pdb=" O GLU L 571 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N LYS L 579 " --> pdb=" O GLU L 575 " (cutoff:3.500A) Processing helix chain 'M' and resid 11 through 20 removed outlier: 4.306A pdb=" N SER M 17 " --> pdb=" O LYS M 13 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N VAL M 18 " --> pdb=" O ASP M 14 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N PHE M 19 " --> pdb=" O ILE M 15 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLU M 20 " --> pdb=" O LEU M 16 " (cutoff:3.500A) Processing helix chain 'M' and resid 21 through 27 removed outlier: 3.726A pdb=" N ASP M 25 " --> pdb=" O ASP M 21 " (cutoff:3.500A) Processing helix chain 'M' and resid 41 through 51 removed outlier: 3.841A pdb=" N ILE M 49 " --> pdb=" O ILE M 45 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N MET M 50 " --> pdb=" O ASP M 46 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N SER M 51 " --> pdb=" O HIS M 47 " (cutoff:3.500A) Processing helix chain 'M' and resid 53 through 69 removed outlier: 3.973A pdb=" N GLY M 57 " --> pdb=" O ASP M 53 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU M 59 " --> pdb=" O VAL M 55 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LEU M 66 " --> pdb=" O PHE M 62 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLN M 69 " --> pdb=" O LEU M 65 " (cutoff:3.500A) Processing helix chain 'M' and resid 70 through 85 removed outlier: 4.431A pdb=" N GLN M 74 " --> pdb=" O GLU M 70 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N LYS M 75 " --> pdb=" O GLU M 71 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N GLU M 79 " --> pdb=" O LYS M 75 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N VAL M 80 " --> pdb=" O PHE M 76 " (cutoff:3.500A) removed outlier: 4.828A pdb=" N LEU M 81 " --> pdb=" O VAL M 77 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N ASN M 84 " --> pdb=" O VAL M 80 " (cutoff:3.500A) Processing helix chain 'M' and resid 86 through 98 removed outlier: 3.534A pdb=" N SER M 90 " --> pdb=" O LYS M 86 " (cutoff:3.500A) Proline residue: M 91 - end of helix removed outlier: 3.751A pdb=" N GLU M 95 " --> pdb=" O PRO M 91 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N ARG M 97 " --> pdb=" O LYS M 93 " (cutoff:3.500A) Processing helix chain 'M' and resid 100 through 118 removed outlier: 3.565A pdb=" N ARG M 112 " --> pdb=" O GLU M 108 " (cutoff:3.500A) Processing helix chain 'M' and resid 128 through 141 removed outlier: 3.637A pdb=" N GLN M 136 " --> pdb=" O LEU M 132 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N ALA M 137 " --> pdb=" O LYS M 133 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLU M 140 " --> pdb=" O GLN M 136 " (cutoff:3.500A) Processing helix chain 'M' and resid 156 through 168 removed outlier: 3.566A pdb=" N VAL M 160 " --> pdb=" O GLY M 156 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N TYR M 168 " --> pdb=" O VAL M 164 " (cutoff:3.500A) Processing helix chain 'M' and resid 169 through 175 removed outlier: 3.694A pdb=" N LYS M 173 " --> pdb=" O LYS M 169 " (cutoff:3.500A) Processing helix chain 'M' and resid 188 through 204 removed outlier: 4.518A pdb=" N VAL M 192 " --> pdb=" O SER M 188 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N LEU M 193 " --> pdb=" O PRO M 189 " (cutoff:3.500A) Processing helix chain 'M' and resid 216 through 233 removed outlier: 3.679A pdb=" N ILE M 221 " --> pdb=" O ILE M 217 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N HIS M 222 " --> pdb=" O LYS M 218 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N SER M 223 " --> pdb=" O LEU M 219 " (cutoff:3.500A) Processing helix chain 'M' and resid 249 through 257 removed outlier: 3.710A pdb=" N TRP M 253 " --> pdb=" O ASN M 249 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N ALA M 255 " --> pdb=" O LYS M 251 " (cutoff:3.500A) Processing helix chain 'M' and resid 268 through 276 removed outlier: 5.781A pdb=" N SER M 276 " --> pdb=" O THR M 272 " (cutoff:3.500A) Processing helix chain 'M' and resid 287 through 292 removed outlier: 5.362A pdb=" N LEU M 292 " --> pdb=" O HIS M 288 " (cutoff:3.500A) Processing helix chain 'M' and resid 293 through 306 removed outlier: 3.915A pdb=" N VAL M 297 " --> pdb=" O THR M 293 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LYS M 298 " --> pdb=" O PRO M 294 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N LYS M 303 " --> pdb=" O SER M 299 " (cutoff:3.500A) removed outlier: 4.072A pdb=" N TYR M 304 " --> pdb=" O LEU M 300 " (cutoff:3.500A) Processing helix chain 'M' and resid 307 through 314 removed outlier: 3.589A pdb=" N ASP M 311 " --> pdb=" O CYS M 307 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N LEU M 312 " --> pdb=" O ARG M 308 " (cutoff:3.500A) Proline residue: M 313 - end of helix No H-bonds generated for 'chain 'M' and resid 307 through 314' Processing helix chain 'M' and resid 320 through 333 Processing helix chain 'M' and resid 338 through 343 removed outlier: 3.843A pdb=" N LYS M 342 " --> pdb=" O TRP M 338 " (cutoff:3.500A) Processing helix chain 'M' and resid 348 through 359 removed outlier: 3.680A pdb=" N LEU M 357 " --> pdb=" O ILE M 353 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ASN M 358 " --> pdb=" O GLU M 354 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N VAL M 359 " --> pdb=" O SER M 355 " (cutoff:3.500A) Processing helix chain 'M' and resid 364 through 373 removed outlier: 3.641A pdb=" N MET M 368 " --> pdb=" O GLU M 364 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N LEU M 372 " --> pdb=" O MET M 368 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N SER M 373 " --> pdb=" O PHE M 369 " (cutoff:3.500A) Processing helix chain 'M' and resid 382 through 389 removed outlier: 3.791A pdb=" N LEU M 388 " --> pdb=" O ILE M 384 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N ILE M 389 " --> pdb=" O LEU M 385 " (cutoff:3.500A) Processing helix chain 'M' and resid 396 through 409 removed outlier: 3.506A pdb=" N SER M 409 " --> pdb=" O LEU M 405 " (cutoff:3.500A) Processing helix chain 'M' and resid 429 through 435 removed outlier: 3.810A pdb=" N LEU M 433 " --> pdb=" O LEU M 429 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N GLU M 434 " --> pdb=" O LYS M 430 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N ASN M 435 " --> pdb=" O VAL M 431 " (cutoff:3.500A) No H-bonds generated for 'chain 'M' and resid 429 through 435' Processing helix chain 'M' and resid 438 through 454 Proline residue: M 450 - end of helix removed outlier: 4.748A pdb=" N ASP M 454 " --> pdb=" O PRO M 450 " (cutoff:3.500A) Processing helix chain 'M' and resid 464 through 479 removed outlier: 5.208A pdb=" N TYR M 468 " --> pdb=" O ASP M 464 " (cutoff:3.500A) removed outlier: 4.897A pdb=" N GLY M 472 " --> pdb=" O TYR M 468 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N HIS M 473 " --> pdb=" O SER M 469 " (cutoff:3.500A) Processing helix chain 'M' and resid 480 through 487 Processing helix chain 'M' and resid 491 through 503 removed outlier: 4.764A pdb=" N ARG M 495 " --> pdb=" O PHE M 491 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N GLN M 499 " --> pdb=" O ARG M 495 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N HIS M 503 " --> pdb=" O GLN M 499 " (cutoff:3.500A) Processing helix chain 'M' and resid 516 through 528 removed outlier: 3.788A pdb=" N GLN M 520 " --> pdb=" O ASN M 516 " (cutoff:3.500A) Proline residue: M 526 - end of helix Processing helix chain 'M' and resid 532 through 549 removed outlier: 3.788A pdb=" N LEU M 538 " --> pdb=" O LYS M 534 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N PHE M 545 " --> pdb=" O ALA M 541 " (cutoff:3.500A) Proline residue: M 547 - end of helix Processing helix chain 'M' and resid 558 through 568 removed outlier: 4.283A pdb=" N LEU M 562 " --> pdb=" O TYR M 558 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N MET M 567 " --> pdb=" O ARG M 563 " (cutoff:3.500A) removed outlier: 5.194A pdb=" N ALA M 568 " --> pdb=" O ILE M 564 " (cutoff:3.500A) Processing helix chain 'M' and resid 571 through 583 removed outlier: 3.620A pdb=" N GLU M 575 " --> pdb=" O GLU M 571 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N LYS M 579 " --> pdb=" O GLU M 575 " (cutoff:3.500A) Processing helix chain 'N' and resid 11 through 20 removed outlier: 4.306A pdb=" N SER N 17 " --> pdb=" O LYS N 13 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N VAL N 18 " --> pdb=" O ASP N 14 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N PHE N 19 " --> pdb=" O ILE N 15 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLU N 20 " --> pdb=" O LEU N 16 " (cutoff:3.500A) Processing helix chain 'N' and resid 21 through 27 removed outlier: 3.726A pdb=" N ASP N 25 " --> pdb=" O ASP N 21 " (cutoff:3.500A) Processing helix chain 'N' and resid 41 through 51 removed outlier: 3.841A pdb=" N ILE N 49 " --> pdb=" O ILE N 45 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N MET N 50 " --> pdb=" O ASP N 46 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N SER N 51 " --> pdb=" O HIS N 47 " (cutoff:3.500A) Processing helix chain 'N' and resid 53 through 69 removed outlier: 3.974A pdb=" N GLY N 57 " --> pdb=" O ASP N 53 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU N 59 " --> pdb=" O VAL N 55 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU N 66 " --> pdb=" O PHE N 62 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLN N 69 " --> pdb=" O LEU N 65 " (cutoff:3.500A) Processing helix chain 'N' and resid 70 through 85 removed outlier: 4.431A pdb=" N GLN N 74 " --> pdb=" O GLU N 70 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N LYS N 75 " --> pdb=" O GLU N 71 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N GLU N 79 " --> pdb=" O LYS N 75 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N VAL N 80 " --> pdb=" O PHE N 76 " (cutoff:3.500A) removed outlier: 4.829A pdb=" N LEU N 81 " --> pdb=" O VAL N 77 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N ASN N 84 " --> pdb=" O VAL N 80 " (cutoff:3.500A) Processing helix chain 'N' and resid 86 through 98 removed outlier: 3.534A pdb=" N SER N 90 " --> pdb=" O LYS N 86 " (cutoff:3.500A) Proline residue: N 91 - end of helix removed outlier: 3.751A pdb=" N GLU N 95 " --> pdb=" O PRO N 91 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N ARG N 97 " --> pdb=" O LYS N 93 " (cutoff:3.500A) Processing helix chain 'N' and resid 100 through 118 removed outlier: 3.566A pdb=" N ARG N 112 " --> pdb=" O GLU N 108 " (cutoff:3.500A) Processing helix chain 'N' and resid 128 through 141 removed outlier: 3.636A pdb=" N GLN N 136 " --> pdb=" O LEU N 132 " (cutoff:3.500A) removed outlier: 4.118A pdb=" N ALA N 137 " --> pdb=" O LYS N 133 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLU N 140 " --> pdb=" O GLN N 136 " (cutoff:3.500A) Processing helix chain 'N' and resid 156 through 168 removed outlier: 3.566A pdb=" N VAL N 160 " --> pdb=" O GLY N 156 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N TYR N 168 " --> pdb=" O VAL N 164 " (cutoff:3.500A) Processing helix chain 'N' and resid 169 through 175 removed outlier: 3.695A pdb=" N LYS N 173 " --> pdb=" O LYS N 169 " (cutoff:3.500A) Processing helix chain 'N' and resid 188 through 204 removed outlier: 4.517A pdb=" N VAL N 192 " --> pdb=" O SER N 188 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N LEU N 193 " --> pdb=" O PRO N 189 " (cutoff:3.500A) Processing helix chain 'N' and resid 216 through 233 removed outlier: 3.679A pdb=" N ILE N 221 " --> pdb=" O ILE N 217 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N HIS N 222 " --> pdb=" O LYS N 218 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N SER N 223 " --> pdb=" O LEU N 219 " (cutoff:3.500A) Processing helix chain 'N' and resid 249 through 257 removed outlier: 3.709A pdb=" N TRP N 253 " --> pdb=" O ASN N 249 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N ALA N 255 " --> pdb=" O LYS N 251 " (cutoff:3.500A) Processing helix chain 'N' and resid 268 through 276 removed outlier: 5.781A pdb=" N SER N 276 " --> pdb=" O THR N 272 " (cutoff:3.500A) Processing helix chain 'N' and resid 287 through 292 removed outlier: 5.362A pdb=" N LEU N 292 " --> pdb=" O HIS N 288 " (cutoff:3.500A) Processing helix chain 'N' and resid 293 through 306 removed outlier: 3.916A pdb=" N VAL N 297 " --> pdb=" O THR N 293 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N LYS N 298 " --> pdb=" O PRO N 294 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N LYS N 303 " --> pdb=" O SER N 299 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N TYR N 304 " --> pdb=" O LEU N 300 " (cutoff:3.500A) Processing helix chain 'N' and resid 307 through 314 removed outlier: 3.589A pdb=" N ASP N 311 " --> pdb=" O CYS N 307 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N LEU N 312 " --> pdb=" O ARG N 308 " (cutoff:3.500A) Proline residue: N 313 - end of helix No H-bonds generated for 'chain 'N' and resid 307 through 314' Processing helix chain 'N' and resid 320 through 333 Processing helix chain 'N' and resid 338 through 343 removed outlier: 3.842A pdb=" N LYS N 342 " --> pdb=" O TRP N 338 " (cutoff:3.500A) Processing helix chain 'N' and resid 348 through 359 removed outlier: 3.680A pdb=" N LEU N 357 " --> pdb=" O ILE N 353 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ASN N 358 " --> pdb=" O GLU N 354 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N VAL N 359 " --> pdb=" O SER N 355 " (cutoff:3.500A) Processing helix chain 'N' and resid 364 through 373 removed outlier: 3.642A pdb=" N MET N 368 " --> pdb=" O GLU N 364 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N LEU N 372 " --> pdb=" O MET N 368 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N SER N 373 " --> pdb=" O PHE N 369 " (cutoff:3.500A) Processing helix chain 'N' and resid 382 through 389 removed outlier: 3.791A pdb=" N LEU N 388 " --> pdb=" O ILE N 384 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N ILE N 389 " --> pdb=" O LEU N 385 " (cutoff:3.500A) Processing helix chain 'N' and resid 396 through 409 removed outlier: 3.506A pdb=" N SER N 409 " --> pdb=" O LEU N 405 " (cutoff:3.500A) Processing helix chain 'N' and resid 429 through 435 removed outlier: 3.810A pdb=" N LEU N 433 " --> pdb=" O LEU N 429 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N GLU N 434 " --> pdb=" O LYS N 430 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N ASN N 435 " --> pdb=" O VAL N 431 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 429 through 435' Processing helix chain 'N' and resid 438 through 454 Proline residue: N 450 - end of helix removed outlier: 4.748A pdb=" N ASP N 454 " --> pdb=" O PRO N 450 " (cutoff:3.500A) Processing helix chain 'N' and resid 464 through 479 removed outlier: 5.209A pdb=" N TYR N 468 " --> pdb=" O ASP N 464 " (cutoff:3.500A) removed outlier: 4.896A pdb=" N GLY N 472 " --> pdb=" O TYR N 468 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N HIS N 473 " --> pdb=" O SER N 469 " (cutoff:3.500A) Processing helix chain 'N' and resid 480 through 487 Processing helix chain 'N' and resid 491 through 503 removed outlier: 4.764A pdb=" N ARG N 495 " --> pdb=" O PHE N 491 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N GLN N 499 " --> pdb=" O ARG N 495 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N HIS N 503 " --> pdb=" O GLN N 499 " (cutoff:3.500A) Processing helix chain 'N' and resid 516 through 528 removed outlier: 3.788A pdb=" N GLN N 520 " --> pdb=" O ASN N 516 " (cutoff:3.500A) Proline residue: N 526 - end of helix Processing helix chain 'N' and resid 532 through 549 removed outlier: 3.788A pdb=" N LEU N 538 " --> pdb=" O LYS N 534 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N PHE N 545 " --> pdb=" O ALA N 541 " (cutoff:3.500A) Proline residue: N 547 - end of helix Processing helix chain 'N' and resid 558 through 568 removed outlier: 4.283A pdb=" N LEU N 562 " --> pdb=" O TYR N 558 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N MET N 567 " --> pdb=" O ARG N 563 " (cutoff:3.500A) removed outlier: 5.194A pdb=" N ALA N 568 " --> pdb=" O ILE N 564 " (cutoff:3.500A) Processing helix chain 'N' and resid 571 through 583 removed outlier: 3.619A pdb=" N GLU N 575 " --> pdb=" O GLU N 571 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N LYS N 579 " --> pdb=" O GLU N 575 " (cutoff:3.500A) Processing helix chain 'O' and resid 11 through 20 removed outlier: 4.306A pdb=" N SER O 17 " --> pdb=" O LYS O 13 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N VAL O 18 " --> pdb=" O ASP O 14 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N PHE O 19 " --> pdb=" O ILE O 15 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLU O 20 " --> pdb=" O LEU O 16 " (cutoff:3.500A) Processing helix chain 'O' and resid 21 through 27 removed outlier: 3.726A pdb=" N ASP O 25 " --> pdb=" O ASP O 21 " (cutoff:3.500A) Processing helix chain 'O' and resid 41 through 51 removed outlier: 3.841A pdb=" N ILE O 49 " --> pdb=" O ILE O 45 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N MET O 50 " --> pdb=" O ASP O 46 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N SER O 51 " --> pdb=" O HIS O 47 " (cutoff:3.500A) Processing helix chain 'O' and resid 53 through 69 removed outlier: 3.973A pdb=" N GLY O 57 " --> pdb=" O ASP O 53 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU O 59 " --> pdb=" O VAL O 55 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LEU O 66 " --> pdb=" O PHE O 62 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLN O 69 " --> pdb=" O LEU O 65 " (cutoff:3.500A) Processing helix chain 'O' and resid 70 through 85 removed outlier: 4.431A pdb=" N GLN O 74 " --> pdb=" O GLU O 70 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N LYS O 75 " --> pdb=" O GLU O 71 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N GLU O 79 " --> pdb=" O LYS O 75 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N VAL O 80 " --> pdb=" O PHE O 76 " (cutoff:3.500A) removed outlier: 4.828A pdb=" N LEU O 81 " --> pdb=" O VAL O 77 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N ASN O 84 " --> pdb=" O VAL O 80 " (cutoff:3.500A) Processing helix chain 'O' and resid 86 through 98 removed outlier: 3.534A pdb=" N SER O 90 " --> pdb=" O LYS O 86 " (cutoff:3.500A) Proline residue: O 91 - end of helix removed outlier: 3.751A pdb=" N GLU O 95 " --> pdb=" O PRO O 91 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N ARG O 97 " --> pdb=" O LYS O 93 " (cutoff:3.500A) Processing helix chain 'O' and resid 100 through 118 removed outlier: 3.565A pdb=" N ARG O 112 " --> pdb=" O GLU O 108 " (cutoff:3.500A) Processing helix chain 'O' and resid 128 through 141 removed outlier: 3.637A pdb=" N GLN O 136 " --> pdb=" O LEU O 132 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N ALA O 137 " --> pdb=" O LYS O 133 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLU O 140 " --> pdb=" O GLN O 136 " (cutoff:3.500A) Processing helix chain 'O' and resid 156 through 168 removed outlier: 3.566A pdb=" N VAL O 160 " --> pdb=" O GLY O 156 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N TYR O 168 " --> pdb=" O VAL O 164 " (cutoff:3.500A) Processing helix chain 'O' and resid 169 through 175 removed outlier: 3.694A pdb=" N LYS O 173 " --> pdb=" O LYS O 169 " (cutoff:3.500A) Processing helix chain 'O' and resid 188 through 204 removed outlier: 4.518A pdb=" N VAL O 192 " --> pdb=" O SER O 188 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N LEU O 193 " --> pdb=" O PRO O 189 " (cutoff:3.500A) Processing helix chain 'O' and resid 216 through 233 removed outlier: 3.679A pdb=" N ILE O 221 " --> pdb=" O ILE O 217 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N HIS O 222 " --> pdb=" O LYS O 218 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N SER O 223 " --> pdb=" O LEU O 219 " (cutoff:3.500A) Processing helix chain 'O' and resid 249 through 257 removed outlier: 3.710A pdb=" N TRP O 253 " --> pdb=" O ASN O 249 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N ALA O 255 " --> pdb=" O LYS O 251 " (cutoff:3.500A) Processing helix chain 'O' and resid 268 through 276 removed outlier: 5.781A pdb=" N SER O 276 " --> pdb=" O THR O 272 " (cutoff:3.500A) Processing helix chain 'O' and resid 287 through 292 removed outlier: 5.362A pdb=" N LEU O 292 " --> pdb=" O HIS O 288 " (cutoff:3.500A) Processing helix chain 'O' and resid 293 through 306 removed outlier: 3.915A pdb=" N VAL O 297 " --> pdb=" O THR O 293 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LYS O 298 " --> pdb=" O PRO O 294 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N LYS O 303 " --> pdb=" O SER O 299 " (cutoff:3.500A) removed outlier: 4.072A pdb=" N TYR O 304 " --> pdb=" O LEU O 300 " (cutoff:3.500A) Processing helix chain 'O' and resid 307 through 314 removed outlier: 3.589A pdb=" N ASP O 311 " --> pdb=" O CYS O 307 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N LEU O 312 " --> pdb=" O ARG O 308 " (cutoff:3.500A) Proline residue: O 313 - end of helix No H-bonds generated for 'chain 'O' and resid 307 through 314' Processing helix chain 'O' and resid 320 through 333 Processing helix chain 'O' and resid 338 through 343 removed outlier: 3.843A pdb=" N LYS O 342 " --> pdb=" O TRP O 338 " (cutoff:3.500A) Processing helix chain 'O' and resid 348 through 359 removed outlier: 3.680A pdb=" N LEU O 357 " --> pdb=" O ILE O 353 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ASN O 358 " --> pdb=" O GLU O 354 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N VAL O 359 " --> pdb=" O SER O 355 " (cutoff:3.500A) Processing helix chain 'O' and resid 364 through 373 removed outlier: 3.641A pdb=" N MET O 368 " --> pdb=" O GLU O 364 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N LEU O 372 " --> pdb=" O MET O 368 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N SER O 373 " --> pdb=" O PHE O 369 " (cutoff:3.500A) Processing helix chain 'O' and resid 382 through 389 removed outlier: 3.791A pdb=" N LEU O 388 " --> pdb=" O ILE O 384 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N ILE O 389 " --> pdb=" O LEU O 385 " (cutoff:3.500A) Processing helix chain 'O' and resid 396 through 409 removed outlier: 3.506A pdb=" N SER O 409 " --> pdb=" O LEU O 405 " (cutoff:3.500A) Processing helix chain 'O' and resid 429 through 435 removed outlier: 3.810A pdb=" N LEU O 433 " --> pdb=" O LEU O 429 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N GLU O 434 " --> pdb=" O LYS O 430 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N ASN O 435 " --> pdb=" O VAL O 431 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 429 through 435' Processing helix chain 'O' and resid 438 through 454 Proline residue: O 450 - end of helix removed outlier: 4.748A pdb=" N ASP O 454 " --> pdb=" O PRO O 450 " (cutoff:3.500A) Processing helix chain 'O' and resid 464 through 479 removed outlier: 5.208A pdb=" N TYR O 468 " --> pdb=" O ASP O 464 " (cutoff:3.500A) removed outlier: 4.897A pdb=" N GLY O 472 " --> pdb=" O TYR O 468 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N HIS O 473 " --> pdb=" O SER O 469 " (cutoff:3.500A) Processing helix chain 'O' and resid 480 through 487 Processing helix chain 'O' and resid 491 through 503 removed outlier: 4.764A pdb=" N ARG O 495 " --> pdb=" O PHE O 491 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N GLN O 499 " --> pdb=" O ARG O 495 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N HIS O 503 " --> pdb=" O GLN O 499 " (cutoff:3.500A) Processing helix chain 'O' and resid 516 through 528 removed outlier: 3.788A pdb=" N GLN O 520 " --> pdb=" O ASN O 516 " (cutoff:3.500A) Proline residue: O 526 - end of helix Processing helix chain 'O' and resid 532 through 549 removed outlier: 3.788A pdb=" N LEU O 538 " --> pdb=" O LYS O 534 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N PHE O 545 " --> pdb=" O ALA O 541 " (cutoff:3.500A) Proline residue: O 547 - end of helix Processing helix chain 'O' and resid 558 through 568 removed outlier: 4.283A pdb=" N LEU O 562 " --> pdb=" O TYR O 558 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N MET O 567 " --> pdb=" O ARG O 563 " (cutoff:3.500A) removed outlier: 5.194A pdb=" N ALA O 568 " --> pdb=" O ILE O 564 " (cutoff:3.500A) Processing helix chain 'O' and resid 571 through 583 removed outlier: 3.620A pdb=" N GLU O 575 " --> pdb=" O GLU O 571 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N LYS O 579 " --> pdb=" O GLU O 575 " (cutoff:3.500A) Processing helix chain 'P' and resid 11 through 20 removed outlier: 4.306A pdb=" N SER P 17 " --> pdb=" O LYS P 13 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N VAL P 18 " --> pdb=" O ASP P 14 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N PHE P 19 " --> pdb=" O ILE P 15 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLU P 20 " --> pdb=" O LEU P 16 " (cutoff:3.500A) Processing helix chain 'P' and resid 21 through 27 removed outlier: 3.726A pdb=" N ASP P 25 " --> pdb=" O ASP P 21 " (cutoff:3.500A) Processing helix chain 'P' and resid 41 through 51 removed outlier: 3.841A pdb=" N ILE P 49 " --> pdb=" O ILE P 45 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N MET P 50 " --> pdb=" O ASP P 46 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N SER P 51 " --> pdb=" O HIS P 47 " (cutoff:3.500A) Processing helix chain 'P' and resid 53 through 69 removed outlier: 3.974A pdb=" N GLY P 57 " --> pdb=" O ASP P 53 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU P 59 " --> pdb=" O VAL P 55 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N LEU P 66 " --> pdb=" O PHE P 62 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLN P 69 " --> pdb=" O LEU P 65 " (cutoff:3.500A) Processing helix chain 'P' and resid 70 through 85 removed outlier: 4.431A pdb=" N GLN P 74 " --> pdb=" O GLU P 70 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N LYS P 75 " --> pdb=" O GLU P 71 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N GLU P 79 " --> pdb=" O LYS P 75 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N VAL P 80 " --> pdb=" O PHE P 76 " (cutoff:3.500A) removed outlier: 4.829A pdb=" N LEU P 81 " --> pdb=" O VAL P 77 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N ASN P 84 " --> pdb=" O VAL P 80 " (cutoff:3.500A) Processing helix chain 'P' and resid 86 through 98 removed outlier: 3.534A pdb=" N SER P 90 " --> pdb=" O LYS P 86 " (cutoff:3.500A) Proline residue: P 91 - end of helix removed outlier: 3.751A pdb=" N GLU P 95 " --> pdb=" O PRO P 91 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N ARG P 97 " --> pdb=" O LYS P 93 " (cutoff:3.500A) Processing helix chain 'P' and resid 100 through 118 removed outlier: 3.566A pdb=" N ARG P 112 " --> pdb=" O GLU P 108 " (cutoff:3.500A) Processing helix chain 'P' and resid 128 through 141 removed outlier: 3.636A pdb=" N GLN P 136 " --> pdb=" O LEU P 132 " (cutoff:3.500A) removed outlier: 4.118A pdb=" N ALA P 137 " --> pdb=" O LYS P 133 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLU P 140 " --> pdb=" O GLN P 136 " (cutoff:3.500A) Processing helix chain 'P' and resid 156 through 168 removed outlier: 3.566A pdb=" N VAL P 160 " --> pdb=" O GLY P 156 " (cutoff:3.500A) removed outlier: 5.579A pdb=" N TYR P 168 " --> pdb=" O VAL P 164 " (cutoff:3.500A) Processing helix chain 'P' and resid 169 through 175 removed outlier: 3.695A pdb=" N LYS P 173 " --> pdb=" O LYS P 169 " (cutoff:3.500A) Processing helix chain 'P' and resid 188 through 204 removed outlier: 4.517A pdb=" N VAL P 192 " --> pdb=" O SER P 188 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N LEU P 193 " --> pdb=" O PRO P 189 " (cutoff:3.500A) Processing helix chain 'P' and resid 216 through 233 removed outlier: 3.679A pdb=" N ILE P 221 " --> pdb=" O ILE P 217 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N HIS P 222 " --> pdb=" O LYS P 218 " (cutoff:3.500A) removed outlier: 3.601A pdb=" N SER P 223 " --> pdb=" O LEU P 219 " (cutoff:3.500A) Processing helix chain 'P' and resid 249 through 257 removed outlier: 3.709A pdb=" N TRP P 253 " --> pdb=" O ASN P 249 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N ALA P 255 " --> pdb=" O LYS P 251 " (cutoff:3.500A) Processing helix chain 'P' and resid 268 through 276 removed outlier: 5.781A pdb=" N SER P 276 " --> pdb=" O THR P 272 " (cutoff:3.500A) Processing helix chain 'P' and resid 287 through 292 removed outlier: 5.362A pdb=" N LEU P 292 " --> pdb=" O HIS P 288 " (cutoff:3.500A) Processing helix chain 'P' and resid 293 through 306 removed outlier: 3.916A pdb=" N VAL P 297 " --> pdb=" O THR P 293 " (cutoff:3.500A) removed outlier: 3.759A pdb=" N LYS P 298 " --> pdb=" O PRO P 294 " (cutoff:3.500A) removed outlier: 3.549A pdb=" N LYS P 303 " --> pdb=" O SER P 299 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N TYR P 304 " --> pdb=" O LEU P 300 " (cutoff:3.500A) Processing helix chain 'P' and resid 307 through 314 removed outlier: 3.589A pdb=" N ASP P 311 " --> pdb=" O CYS P 307 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N LEU P 312 " --> pdb=" O ARG P 308 " (cutoff:3.500A) Proline residue: P 313 - end of helix No H-bonds generated for 'chain 'P' and resid 307 through 314' Processing helix chain 'P' and resid 320 through 333 Processing helix chain 'P' and resid 338 through 343 removed outlier: 3.842A pdb=" N LYS P 342 " --> pdb=" O TRP P 338 " (cutoff:3.500A) Processing helix chain 'P' and resid 348 through 359 removed outlier: 3.680A pdb=" N LEU P 357 " --> pdb=" O ILE P 353 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ASN P 358 " --> pdb=" O GLU P 354 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N VAL P 359 " --> pdb=" O SER P 355 " (cutoff:3.500A) Processing helix chain 'P' and resid 364 through 373 removed outlier: 3.642A pdb=" N MET P 368 " --> pdb=" O GLU P 364 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N LEU P 372 " --> pdb=" O MET P 368 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N SER P 373 " --> pdb=" O PHE P 369 " (cutoff:3.500A) Processing helix chain 'P' and resid 382 through 389 removed outlier: 3.791A pdb=" N LEU P 388 " --> pdb=" O ILE P 384 " (cutoff:3.500A) removed outlier: 3.903A pdb=" N ILE P 389 " --> pdb=" O LEU P 385 " (cutoff:3.500A) Processing helix chain 'P' and resid 396 through 409 removed outlier: 3.506A pdb=" N SER P 409 " --> pdb=" O LEU P 405 " (cutoff:3.500A) Processing helix chain 'P' and resid 429 through 435 removed outlier: 3.810A pdb=" N LEU P 433 " --> pdb=" O LEU P 429 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N GLU P 434 " --> pdb=" O LYS P 430 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N ASN P 435 " --> pdb=" O VAL P 431 " (cutoff:3.500A) No H-bonds generated for 'chain 'P' and resid 429 through 435' Processing helix chain 'P' and resid 438 through 454 Proline residue: P 450 - end of helix removed outlier: 4.748A pdb=" N ASP P 454 " --> pdb=" O PRO P 450 " (cutoff:3.500A) Processing helix chain 'P' and resid 464 through 479 removed outlier: 5.209A pdb=" N TYR P 468 " --> pdb=" O ASP P 464 " (cutoff:3.500A) removed outlier: 4.896A pdb=" N GLY P 472 " --> pdb=" O TYR P 468 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N HIS P 473 " --> pdb=" O SER P 469 " (cutoff:3.500A) Processing helix chain 'P' and resid 480 through 487 Processing helix chain 'P' and resid 491 through 503 removed outlier: 4.764A pdb=" N ARG P 495 " --> pdb=" O PHE P 491 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N GLN P 499 " --> pdb=" O ARG P 495 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N HIS P 503 " --> pdb=" O GLN P 499 " (cutoff:3.500A) Processing helix chain 'P' and resid 516 through 528 removed outlier: 3.788A pdb=" N GLN P 520 " --> pdb=" O ASN P 516 " (cutoff:3.500A) Proline residue: P 526 - end of helix Processing helix chain 'P' and resid 532 through 549 removed outlier: 3.788A pdb=" N LEU P 538 " --> pdb=" O LYS P 534 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N PHE P 545 " --> pdb=" O ALA P 541 " (cutoff:3.500A) Proline residue: P 547 - end of helix Processing helix chain 'P' and resid 558 through 568 removed outlier: 4.283A pdb=" N LEU P 562 " --> pdb=" O TYR P 558 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N MET P 567 " --> pdb=" O ARG P 563 " (cutoff:3.500A) removed outlier: 5.194A pdb=" N ALA P 568 " --> pdb=" O ILE P 564 " (cutoff:3.500A) Processing helix chain 'P' and resid 571 through 583 removed outlier: 3.619A pdb=" N GLU P 575 " --> pdb=" O GLU P 571 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N LYS P 579 " --> pdb=" O GLU P 575 " (cutoff:3.500A) Processing helix chain 'Q' and resid 11 through 20 removed outlier: 4.306A pdb=" N SER Q 17 " --> pdb=" O LYS Q 13 " (cutoff:3.500A) removed outlier: 4.497A pdb=" N VAL Q 18 " --> pdb=" O ASP Q 14 " (cutoff:3.500A) removed outlier: 4.353A pdb=" N PHE Q 19 " --> pdb=" O ILE Q 15 " (cutoff:3.500A) removed outlier: 3.822A pdb=" N GLU Q 20 " --> pdb=" O LEU Q 16 " (cutoff:3.500A) Processing helix chain 'Q' and resid 21 through 27 removed outlier: 3.726A pdb=" N ASP Q 25 " --> pdb=" O ASP Q 21 " (cutoff:3.500A) Processing helix chain 'Q' and resid 41 through 51 removed outlier: 3.841A pdb=" N ILE Q 49 " --> pdb=" O ILE Q 45 " (cutoff:3.500A) removed outlier: 4.246A pdb=" N MET Q 50 " --> pdb=" O ASP Q 46 " (cutoff:3.500A) removed outlier: 3.662A pdb=" N SER Q 51 " --> pdb=" O HIS Q 47 " (cutoff:3.500A) Processing helix chain 'Q' and resid 53 through 69 removed outlier: 3.973A pdb=" N GLY Q 57 " --> pdb=" O ASP Q 53 " (cutoff:3.500A) removed outlier: 3.911A pdb=" N LEU Q 59 " --> pdb=" O VAL Q 55 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N LEU Q 66 " --> pdb=" O PHE Q 62 " (cutoff:3.500A) removed outlier: 5.528A pdb=" N GLN Q 69 " --> pdb=" O LEU Q 65 " (cutoff:3.500A) Processing helix chain 'Q' and resid 70 through 85 removed outlier: 4.431A pdb=" N GLN Q 74 " --> pdb=" O GLU Q 70 " (cutoff:3.500A) removed outlier: 4.182A pdb=" N LYS Q 75 " --> pdb=" O GLU Q 71 " (cutoff:3.500A) removed outlier: 3.671A pdb=" N GLU Q 79 " --> pdb=" O LYS Q 75 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N VAL Q 80 " --> pdb=" O PHE Q 76 " (cutoff:3.500A) removed outlier: 4.828A pdb=" N LEU Q 81 " --> pdb=" O VAL Q 77 " (cutoff:3.500A) removed outlier: 4.049A pdb=" N ASN Q 84 " --> pdb=" O VAL Q 80 " (cutoff:3.500A) Processing helix chain 'Q' and resid 86 through 98 removed outlier: 3.534A pdb=" N SER Q 90 " --> pdb=" O LYS Q 86 " (cutoff:3.500A) Proline residue: Q 91 - end of helix removed outlier: 3.751A pdb=" N GLU Q 95 " --> pdb=" O PRO Q 91 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N ARG Q 97 " --> pdb=" O LYS Q 93 " (cutoff:3.500A) Processing helix chain 'Q' and resid 100 through 118 removed outlier: 3.565A pdb=" N ARG Q 112 " --> pdb=" O GLU Q 108 " (cutoff:3.500A) Processing helix chain 'Q' and resid 128 through 141 removed outlier: 3.637A pdb=" N GLN Q 136 " --> pdb=" O LEU Q 132 " (cutoff:3.500A) removed outlier: 4.117A pdb=" N ALA Q 137 " --> pdb=" O LYS Q 133 " (cutoff:3.500A) removed outlier: 3.522A pdb=" N GLU Q 140 " --> pdb=" O GLN Q 136 " (cutoff:3.500A) Processing helix chain 'Q' and resid 156 through 168 removed outlier: 3.566A pdb=" N VAL Q 160 " --> pdb=" O GLY Q 156 " (cutoff:3.500A) removed outlier: 5.580A pdb=" N TYR Q 168 " --> pdb=" O VAL Q 164 " (cutoff:3.500A) Processing helix chain 'Q' and resid 169 through 175 removed outlier: 3.694A pdb=" N LYS Q 173 " --> pdb=" O LYS Q 169 " (cutoff:3.500A) Processing helix chain 'Q' and resid 188 through 204 removed outlier: 4.518A pdb=" N VAL Q 192 " --> pdb=" O SER Q 188 " (cutoff:3.500A) removed outlier: 3.824A pdb=" N LEU Q 193 " --> pdb=" O PRO Q 189 " (cutoff:3.500A) Processing helix chain 'Q' and resid 216 through 233 removed outlier: 3.679A pdb=" N ILE Q 221 " --> pdb=" O ILE Q 217 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N HIS Q 222 " --> pdb=" O LYS Q 218 " (cutoff:3.500A) removed outlier: 3.602A pdb=" N SER Q 223 " --> pdb=" O LEU Q 219 " (cutoff:3.500A) Processing helix chain 'Q' and resid 249 through 257 removed outlier: 3.710A pdb=" N TRP Q 253 " --> pdb=" O ASN Q 249 " (cutoff:3.500A) removed outlier: 3.887A pdb=" N ALA Q 255 " --> pdb=" O LYS Q 251 " (cutoff:3.500A) Processing helix chain 'Q' and resid 268 through 276 removed outlier: 5.781A pdb=" N SER Q 276 " --> pdb=" O THR Q 272 " (cutoff:3.500A) Processing helix chain 'Q' and resid 287 through 292 removed outlier: 5.362A pdb=" N LEU Q 292 " --> pdb=" O HIS Q 288 " (cutoff:3.500A) Processing helix chain 'Q' and resid 293 through 306 removed outlier: 3.915A pdb=" N VAL Q 297 " --> pdb=" O THR Q 293 " (cutoff:3.500A) removed outlier: 3.758A pdb=" N LYS Q 298 " --> pdb=" O PRO Q 294 " (cutoff:3.500A) removed outlier: 3.550A pdb=" N LYS Q 303 " --> pdb=" O SER Q 299 " (cutoff:3.500A) removed outlier: 4.072A pdb=" N TYR Q 304 " --> pdb=" O LEU Q 300 " (cutoff:3.500A) Processing helix chain 'Q' and resid 307 through 314 removed outlier: 3.589A pdb=" N ASP Q 311 " --> pdb=" O CYS Q 307 " (cutoff:3.500A) removed outlier: 4.404A pdb=" N LEU Q 312 " --> pdb=" O ARG Q 308 " (cutoff:3.500A) Proline residue: Q 313 - end of helix No H-bonds generated for 'chain 'Q' and resid 307 through 314' Processing helix chain 'Q' and resid 320 through 333 Processing helix chain 'Q' and resid 338 through 343 removed outlier: 3.843A pdb=" N LYS Q 342 " --> pdb=" O TRP Q 338 " (cutoff:3.500A) Processing helix chain 'Q' and resid 348 through 359 removed outlier: 3.680A pdb=" N LEU Q 357 " --> pdb=" O ILE Q 353 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N ASN Q 358 " --> pdb=" O GLU Q 354 " (cutoff:3.500A) removed outlier: 4.903A pdb=" N VAL Q 359 " --> pdb=" O SER Q 355 " (cutoff:3.500A) Processing helix chain 'Q' and resid 364 through 373 removed outlier: 3.641A pdb=" N MET Q 368 " --> pdb=" O GLU Q 364 " (cutoff:3.500A) removed outlier: 4.261A pdb=" N LEU Q 372 " --> pdb=" O MET Q 368 " (cutoff:3.500A) removed outlier: 4.675A pdb=" N SER Q 373 " --> pdb=" O PHE Q 369 " (cutoff:3.500A) Processing helix chain 'Q' and resid 382 through 389 removed outlier: 3.791A pdb=" N LEU Q 388 " --> pdb=" O ILE Q 384 " (cutoff:3.500A) removed outlier: 3.902A pdb=" N ILE Q 389 " --> pdb=" O LEU Q 385 " (cutoff:3.500A) Processing helix chain 'Q' and resid 396 through 409 removed outlier: 3.506A pdb=" N SER Q 409 " --> pdb=" O LEU Q 405 " (cutoff:3.500A) Processing helix chain 'Q' and resid 429 through 435 removed outlier: 3.810A pdb=" N LEU Q 433 " --> pdb=" O LEU Q 429 " (cutoff:3.500A) removed outlier: 3.893A pdb=" N GLU Q 434 " --> pdb=" O LYS Q 430 " (cutoff:3.500A) removed outlier: 4.320A pdb=" N ASN Q 435 " --> pdb=" O VAL Q 431 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 429 through 435' Processing helix chain 'Q' and resid 438 through 454 Proline residue: Q 450 - end of helix removed outlier: 4.748A pdb=" N ASP Q 454 " --> pdb=" O PRO Q 450 " (cutoff:3.500A) Processing helix chain 'Q' and resid 464 through 479 removed outlier: 5.208A pdb=" N TYR Q 468 " --> pdb=" O ASP Q 464 " (cutoff:3.500A) removed outlier: 4.897A pdb=" N GLY Q 472 " --> pdb=" O TYR Q 468 " (cutoff:3.500A) removed outlier: 4.359A pdb=" N HIS Q 473 " --> pdb=" O SER Q 469 " (cutoff:3.500A) Processing helix chain 'Q' and resid 480 through 487 Processing helix chain 'Q' and resid 491 through 503 removed outlier: 4.764A pdb=" N ARG Q 495 " --> pdb=" O PHE Q 491 " (cutoff:3.500A) removed outlier: 3.979A pdb=" N GLN Q 499 " --> pdb=" O ARG Q 495 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N HIS Q 503 " --> pdb=" O GLN Q 499 " (cutoff:3.500A) Processing helix chain 'Q' and resid 516 through 528 removed outlier: 3.788A pdb=" N GLN Q 520 " --> pdb=" O ASN Q 516 " (cutoff:3.500A) Proline residue: Q 526 - end of helix Processing helix chain 'Q' and resid 532 through 549 removed outlier: 3.788A pdb=" N LEU Q 538 " --> pdb=" O LYS Q 534 " (cutoff:3.500A) removed outlier: 3.659A pdb=" N PHE Q 545 " --> pdb=" O ALA Q 541 " (cutoff:3.500A) Proline residue: Q 547 - end of helix Processing helix chain 'Q' and resid 558 through 568 removed outlier: 4.283A pdb=" N LEU Q 562 " --> pdb=" O TYR Q 558 " (cutoff:3.500A) removed outlier: 4.293A pdb=" N MET Q 567 " --> pdb=" O ARG Q 563 " (cutoff:3.500A) removed outlier: 5.194A pdb=" N ALA Q 568 " --> pdb=" O ILE Q 564 " (cutoff:3.500A) Processing helix chain 'Q' and resid 571 through 583 removed outlier: 3.620A pdb=" N GLU Q 575 " --> pdb=" O GLU Q 571 " (cutoff:3.500A) removed outlier: 3.532A pdb=" N LYS Q 579 " --> pdb=" O GLU Q 575 " (cutoff:3.500A) Processing sheet with id= 1, first strand: chain 'A' and resid 177 through 182 removed outlier: 3.771A pdb=" N LEU A 241 " --> pdb=" O LYS A 177 " (cutoff:3.500A) removed outlier: 3.653A pdb=" N PHE A 179 " --> pdb=" O LEU A 241 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N VAL A 243 " --> pdb=" O PHE A 179 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N LEU A 181 " --> pdb=" O VAL A 243 " (cutoff:3.500A) removed outlier: 3.967A pdb=" N LYS A 261 " --> pdb=" O CYS A 240 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N LEU A 242 " --> pdb=" O LYS A 261 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N ILE A 262 " --> pdb=" O LYS A 145 " (cutoff:3.500A) removed outlier: 4.394A pdb=" N GLY A 151 " --> pdb=" O THR A 266 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N THR A 281 " --> pdb=" O ASN A 146 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'C' and resid 177 through 182 removed outlier: 3.812A pdb=" N LEU C 241 " --> pdb=" O LYS C 177 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N PHE C 179 " --> pdb=" O LEU C 241 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N VAL C 243 " --> pdb=" O PHE C 179 " (cutoff:3.500A) removed outlier: 4.026A pdb=" N LYS C 261 " --> pdb=" O CYS C 240 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N LEU C 242 " --> pdb=" O LYS C 261 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N ILE C 262 " --> pdb=" O LYS C 145 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N GLY C 151 " --> pdb=" O THR C 266 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N THR C 281 " --> pdb=" O ASN C 146 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'D' and resid 177 through 182 removed outlier: 3.812A pdb=" N LEU D 241 " --> pdb=" O LYS D 177 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N PHE D 179 " --> pdb=" O LEU D 241 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N VAL D 243 " --> pdb=" O PHE D 179 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N LEU D 181 " --> pdb=" O VAL D 243 " (cutoff:3.500A) removed outlier: 4.027A pdb=" N LYS D 261 " --> pdb=" O CYS D 240 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N LEU D 242 " --> pdb=" O LYS D 261 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N ILE D 262 " --> pdb=" O LYS D 145 " (cutoff:3.500A) removed outlier: 4.394A pdb=" N GLY D 151 " --> pdb=" O THR D 266 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N THR D 281 " --> pdb=" O ASN D 146 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'E' and resid 177 through 182 removed outlier: 3.812A pdb=" N LEU E 241 " --> pdb=" O LYS E 177 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N PHE E 179 " --> pdb=" O LEU E 241 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N VAL E 243 " --> pdb=" O PHE E 179 " (cutoff:3.500A) removed outlier: 4.026A pdb=" N LYS E 261 " --> pdb=" O CYS E 240 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N LEU E 242 " --> pdb=" O LYS E 261 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N ILE E 262 " --> pdb=" O LYS E 145 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N GLY E 151 " --> pdb=" O THR E 266 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N THR E 281 " --> pdb=" O ASN E 146 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'F' and resid 177 through 182 removed outlier: 3.812A pdb=" N LEU F 241 " --> pdb=" O LYS F 177 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N PHE F 179 " --> pdb=" O LEU F 241 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N VAL F 243 " --> pdb=" O PHE F 179 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N LEU F 181 " --> pdb=" O VAL F 243 " (cutoff:3.500A) removed outlier: 4.027A pdb=" N LYS F 261 " --> pdb=" O CYS F 240 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N LEU F 242 " --> pdb=" O LYS F 261 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N ILE F 262 " --> pdb=" O LYS F 145 " (cutoff:3.500A) removed outlier: 4.394A pdb=" N GLY F 151 " --> pdb=" O THR F 266 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N THR F 281 " --> pdb=" O ASN F 146 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'G' and resid 177 through 182 removed outlier: 3.812A pdb=" N LEU G 241 " --> pdb=" O LYS G 177 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N PHE G 179 " --> pdb=" O LEU G 241 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N VAL G 243 " --> pdb=" O PHE G 179 " (cutoff:3.500A) removed outlier: 4.026A pdb=" N LYS G 261 " --> pdb=" O CYS G 240 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N LEU G 242 " --> pdb=" O LYS G 261 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N ILE G 262 " --> pdb=" O LYS G 145 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N GLY G 151 " --> pdb=" O THR G 266 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N THR G 281 " --> pdb=" O ASN G 146 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'H' and resid 177 through 182 removed outlier: 3.812A pdb=" N LEU H 241 " --> pdb=" O LYS H 177 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N PHE H 179 " --> pdb=" O LEU H 241 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N VAL H 243 " --> pdb=" O PHE H 179 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N LEU H 181 " --> pdb=" O VAL H 243 " (cutoff:3.500A) removed outlier: 4.027A pdb=" N LYS H 261 " --> pdb=" O CYS H 240 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N LEU H 242 " --> pdb=" O LYS H 261 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N ILE H 262 " --> pdb=" O LYS H 145 " (cutoff:3.500A) removed outlier: 4.394A pdb=" N GLY H 151 " --> pdb=" O THR H 266 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N THR H 281 " --> pdb=" O ASN H 146 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'I' and resid 177 through 182 removed outlier: 3.812A pdb=" N LEU I 241 " --> pdb=" O LYS I 177 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N PHE I 179 " --> pdb=" O LEU I 241 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N VAL I 243 " --> pdb=" O PHE I 179 " (cutoff:3.500A) removed outlier: 4.026A pdb=" N LYS I 261 " --> pdb=" O CYS I 240 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N LEU I 242 " --> pdb=" O LYS I 261 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N ILE I 262 " --> pdb=" O LYS I 145 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N GLY I 151 " --> pdb=" O THR I 266 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N THR I 281 " --> pdb=" O ASN I 146 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'J' and resid 177 through 182 removed outlier: 3.812A pdb=" N LEU J 241 " --> pdb=" O LYS J 177 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N PHE J 179 " --> pdb=" O LEU J 241 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N VAL J 243 " --> pdb=" O PHE J 179 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N LEU J 181 " --> pdb=" O VAL J 243 " (cutoff:3.500A) removed outlier: 4.027A pdb=" N LYS J 261 " --> pdb=" O CYS J 240 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N LEU J 242 " --> pdb=" O LYS J 261 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N ILE J 262 " --> pdb=" O LYS J 145 " (cutoff:3.500A) removed outlier: 4.394A pdb=" N GLY J 151 " --> pdb=" O THR J 266 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N THR J 281 " --> pdb=" O ASN J 146 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'K' and resid 177 through 182 removed outlier: 3.812A pdb=" N LEU K 241 " --> pdb=" O LYS K 177 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N PHE K 179 " --> pdb=" O LEU K 241 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N VAL K 243 " --> pdb=" O PHE K 179 " (cutoff:3.500A) removed outlier: 4.026A pdb=" N LYS K 261 " --> pdb=" O CYS K 240 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N LEU K 242 " --> pdb=" O LYS K 261 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N ILE K 262 " --> pdb=" O LYS K 145 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N GLY K 151 " --> pdb=" O THR K 266 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N THR K 281 " --> pdb=" O ASN K 146 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'L' and resid 177 through 182 removed outlier: 3.812A pdb=" N LEU L 241 " --> pdb=" O LYS L 177 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N PHE L 179 " --> pdb=" O LEU L 241 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N VAL L 243 " --> pdb=" O PHE L 179 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N LEU L 181 " --> pdb=" O VAL L 243 " (cutoff:3.500A) removed outlier: 4.027A pdb=" N LYS L 261 " --> pdb=" O CYS L 240 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N LEU L 242 " --> pdb=" O LYS L 261 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N ILE L 262 " --> pdb=" O LYS L 145 " (cutoff:3.500A) removed outlier: 4.394A pdb=" N GLY L 151 " --> pdb=" O THR L 266 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N THR L 281 " --> pdb=" O ASN L 146 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'M' and resid 177 through 182 removed outlier: 3.812A pdb=" N LEU M 241 " --> pdb=" O LYS M 177 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N PHE M 179 " --> pdb=" O LEU M 241 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N VAL M 243 " --> pdb=" O PHE M 179 " (cutoff:3.500A) removed outlier: 4.026A pdb=" N LYS M 261 " --> pdb=" O CYS M 240 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N LEU M 242 " --> pdb=" O LYS M 261 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N ILE M 262 " --> pdb=" O LYS M 145 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N GLY M 151 " --> pdb=" O THR M 266 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N THR M 281 " --> pdb=" O ASN M 146 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'N' and resid 177 through 182 removed outlier: 3.812A pdb=" N LEU N 241 " --> pdb=" O LYS N 177 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N PHE N 179 " --> pdb=" O LEU N 241 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N VAL N 243 " --> pdb=" O PHE N 179 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N LEU N 181 " --> pdb=" O VAL N 243 " (cutoff:3.500A) removed outlier: 4.027A pdb=" N LYS N 261 " --> pdb=" O CYS N 240 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N LEU N 242 " --> pdb=" O LYS N 261 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N ILE N 262 " --> pdb=" O LYS N 145 " (cutoff:3.500A) removed outlier: 4.394A pdb=" N GLY N 151 " --> pdb=" O THR N 266 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N THR N 281 " --> pdb=" O ASN N 146 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'O' and resid 177 through 182 removed outlier: 3.812A pdb=" N LEU O 241 " --> pdb=" O LYS O 177 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N PHE O 179 " --> pdb=" O LEU O 241 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N VAL O 243 " --> pdb=" O PHE O 179 " (cutoff:3.500A) removed outlier: 4.026A pdb=" N LYS O 261 " --> pdb=" O CYS O 240 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N LEU O 242 " --> pdb=" O LYS O 261 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N ILE O 262 " --> pdb=" O LYS O 145 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N GLY O 151 " --> pdb=" O THR O 266 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N THR O 281 " --> pdb=" O ASN O 146 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'P' and resid 177 through 182 removed outlier: 3.812A pdb=" N LEU P 241 " --> pdb=" O LYS P 177 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N PHE P 179 " --> pdb=" O LEU P 241 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N VAL P 243 " --> pdb=" O PHE P 179 " (cutoff:3.500A) removed outlier: 3.516A pdb=" N LEU P 181 " --> pdb=" O VAL P 243 " (cutoff:3.500A) removed outlier: 4.027A pdb=" N LYS P 261 " --> pdb=" O CYS P 240 " (cutoff:3.500A) removed outlier: 3.990A pdb=" N LEU P 242 " --> pdb=" O LYS P 261 " (cutoff:3.500A) removed outlier: 3.813A pdb=" N ILE P 262 " --> pdb=" O LYS P 145 " (cutoff:3.500A) removed outlier: 4.394A pdb=" N GLY P 151 " --> pdb=" O THR P 266 " (cutoff:3.500A) removed outlier: 3.854A pdb=" N THR P 281 " --> pdb=" O ASN P 146 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'Q' and resid 177 through 182 removed outlier: 3.812A pdb=" N LEU Q 241 " --> pdb=" O LYS Q 177 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N PHE Q 179 " --> pdb=" O LEU Q 241 " (cutoff:3.500A) removed outlier: 3.641A pdb=" N VAL Q 243 " --> pdb=" O PHE Q 179 " (cutoff:3.500A) removed outlier: 4.026A pdb=" N LYS Q 261 " --> pdb=" O CYS Q 240 " (cutoff:3.500A) removed outlier: 3.988A pdb=" N LEU Q 242 " --> pdb=" O LYS Q 261 " (cutoff:3.500A) removed outlier: 3.812A pdb=" N ILE Q 262 " --> pdb=" O LYS Q 145 " (cutoff:3.500A) removed outlier: 4.393A pdb=" N GLY Q 151 " --> pdb=" O THR Q 266 " (cutoff:3.500A) removed outlier: 3.853A pdb=" N THR Q 281 " --> pdb=" O ASN Q 146 " (cutoff:3.500A) 3000 hydrogen bonds defined for protein. 9000 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: 34.14 Time building geometry restraints manager: 34.82 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 0.44 - 0.93: 1 0.93 - 1.41: 45643 1.41 - 1.90: 68218 1.90 - 2.39: 0 2.39 - 2.87: 16 Warning: very small bond lengths. Bond restraints: 113878 Sorted by residual: bond pdb=" C UNK K 835 " pdb=" N UNK K 836 " ideal model delta sigma weight residual 1.329 2.875 -1.546 1.40e-02 5.10e+03 1.22e+04 bond pdb=" C UNK Q 835 " pdb=" N UNK Q 836 " ideal model delta sigma weight residual 1.329 2.875 -1.546 1.40e-02 5.10e+03 1.22e+04 bond pdb=" C UNK O 835 " pdb=" N UNK O 836 " ideal model delta sigma weight residual 1.329 2.875 -1.546 1.40e-02 5.10e+03 1.22e+04 bond pdb=" C UNK M 835 " pdb=" N UNK M 836 " ideal model delta sigma weight residual 1.329 2.875 -1.546 1.40e-02 5.10e+03 1.22e+04 bond pdb=" C UNK C 835 " pdb=" N UNK C 836 " ideal model delta sigma weight residual 1.329 2.875 -1.546 1.40e-02 5.10e+03 1.22e+04 ... (remaining 113873 not shown) Histogram of bond angle deviations from ideal: 55.42 - 77.33: 2 77.33 - 99.24: 128 99.24 - 121.14: 120840 121.14 - 143.05: 33933 143.05 - 164.95: 1 Bond angle restraints: 154904 Sorted by residual: angle pdb=" C UNK Q 615 " pdb=" N UNK Q 616 " pdb=" CA UNK Q 616 " ideal model delta sigma weight residual 121.70 63.42 58.28 1.80e+00 3.09e-01 1.05e+03 angle pdb=" CA UNK Q 615 " pdb=" C UNK Q 615 " pdb=" N UNK Q 616 " ideal model delta sigma weight residual 116.20 55.42 60.78 2.00e+00 2.50e-01 9.23e+02 angle pdb=" O UNK Q 615 " pdb=" C UNK Q 615 " pdb=" N UNK Q 616 " ideal model delta sigma weight residual 123.00 164.95 -41.95 1.60e+00 3.91e-01 6.87e+02 angle pdb=" N VAL G 411 " pdb=" CA VAL G 411 " pdb=" CB VAL G 411 " ideal model delta sigma weight residual 112.40 88.48 23.92 1.17e+00 7.31e-01 4.18e+02 angle pdb=" N VAL E 411 " pdb=" CA VAL E 411 " pdb=" CB VAL E 411 " ideal model delta sigma weight residual 112.40 88.48 23.92 1.17e+00 7.31e-01 4.18e+02 ... (remaining 154899 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 31.12: 64194 31.12 - 62.24: 4314 62.24 - 93.36: 275 93.36 - 124.48: 0 124.48 - 155.60: 7 Dihedral angle restraints: 68790 sinusoidal: 18930 harmonic: 49860 Sorted by residual: dihedral pdb=" C UNK L1222 " pdb=" N UNK L1222 " pdb=" CA UNK L1222 " pdb=" CB UNK L1222 " ideal model delta harmonic sigma weight residual -122.60 -159.76 37.16 0 2.50e+00 1.60e-01 2.21e+02 dihedral pdb=" C UNK H1222 " pdb=" N UNK H1222 " pdb=" CA UNK H1222 " pdb=" CB UNK H1222 " ideal model delta harmonic sigma weight residual -122.60 -159.76 37.16 0 2.50e+00 1.60e-01 2.21e+02 dihedral pdb=" C UNK N1222 " pdb=" N UNK N1222 " pdb=" CA UNK N1222 " pdb=" CB UNK N1222 " ideal model delta harmonic sigma weight residual -122.60 -159.76 37.16 0 2.50e+00 1.60e-01 2.21e+02 ... (remaining 68787 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.317: 19046 0.317 - 0.634: 200 0.634 - 0.951: 16 0.951 - 1.269: 0 1.269 - 1.586: 32 Chirality restraints: 19294 Sorted by residual: chirality pdb=" CA UNK L1222 " pdb=" N UNK L1222 " pdb=" C UNK L1222 " pdb=" CB UNK L1222 " both_signs ideal model delta sigma weight residual False 2.52 0.93 1.59 2.00e-01 2.50e+01 6.29e+01 chirality pdb=" CA UNK N1222 " pdb=" N UNK N1222 " pdb=" C UNK N1222 " pdb=" CB UNK N1222 " both_signs ideal model delta sigma weight residual False 2.52 0.93 1.59 2.00e-01 2.50e+01 6.29e+01 chirality pdb=" CA UNK H1222 " pdb=" N UNK H1222 " pdb=" C UNK H1222 " pdb=" CB UNK H1222 " both_signs ideal model delta sigma weight residual False 2.52 0.93 1.59 2.00e-01 2.50e+01 6.29e+01 ... (remaining 19291 not shown) Planarity restraints: 20033 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CA UNK Q 835 " -0.105 2.00e-02 2.50e+03 2.07e-01 4.29e+02 pdb=" C UNK Q 835 " 0.348 2.00e-02 2.50e+03 pdb=" O UNK Q 835 " -0.193 2.00e-02 2.50e+03 pdb=" N UNK Q 836 " -0.050 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA UNK M 835 " 0.105 2.00e-02 2.50e+03 2.07e-01 4.29e+02 pdb=" C UNK M 835 " -0.348 2.00e-02 2.50e+03 pdb=" O UNK M 835 " 0.193 2.00e-02 2.50e+03 pdb=" N UNK M 836 " 0.050 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA UNK G 835 " -0.105 2.00e-02 2.50e+03 2.07e-01 4.29e+02 pdb=" C UNK G 835 " 0.348 2.00e-02 2.50e+03 pdb=" O UNK G 835 " -0.193 2.00e-02 2.50e+03 pdb=" N UNK G 836 " -0.050 2.00e-02 2.50e+03 ... (remaining 20030 not shown) Histogram of nonbonded interaction distances: 1.06 - 1.83: 305 1.83 - 2.59: 4516 2.59 - 3.36: 153416 3.36 - 4.13: 251640 4.13 - 4.90: 430693 Nonbonded interactions: 840570 Sorted by model distance: nonbonded pdb=" CB UNK J 808 " pdb=" C UNK J 850 " model vdw 1.058 3.670 nonbonded pdb=" CB UNK N 808 " pdb=" C UNK N 850 " model vdw 1.058 3.670 nonbonded pdb=" CB UNK L 808 " pdb=" C UNK L 850 " model vdw 1.058 3.670 nonbonded pdb=" CB UNK H 808 " pdb=" C UNK H 850 " model vdw 1.058 3.670 nonbonded pdb=" CB UNK P 808 " pdb=" C UNK P 850 " model vdw 1.058 3.670 ... (remaining 840565 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = (chain 'A' and (resid 10 through 627 or (resid 628 and (name N or name CA or nam \ e C or name O )) or resid 629 through 634 or (resid 635 and (name N or name CA o \ r name C or name O )) or resid 636 through 647 or (resid 648 and (name N or name \ CA or name C or name O )) or resid 649 through 689 or (resid 690 and (name N or \ name CA or name C or name O )) or resid 691 through 719 or (resid 720 and (name \ N or name CA or name C or name O )) or resid 721 through 765 or (resid 766 and \ (name N or name CA or name C or name O )) or resid 767 through 810 or (resid 811 \ and (name N or name CA or name C or name O )) or resid 812 through 830 or (resi \ d 831 and (name N or name CA or name C or name O )) or resid 832 through 880 or \ (resid 881 and (name N or name CA or name C or name O )) or resid 882 through 88 \ 7 or (resid 888 and (name N or name CA or name C or name O )) or resid 889 throu \ gh 894 or (resid 895 and (name N or name CA or name C or name O )) or resid 896 \ through 951 or (resid 952 and (name N or name CA or name C or name O )) or resid \ 955 through 979 or (resid 980 and (name N or name CA or name C or name O )) or \ resid 981 through 999 or (resid 1000 and (name N or name CA or name C or name O \ )) or resid 1007 through 1065 or (resid 1066 and (name N or name CA or name C or \ name O )) or resid 1067 through 1125 or (resid 1126 and (name N or name CA or n \ ame C or name O )) or resid 1127 through 1145 or (resid 1146 and (name N or name \ CA or name C or name O )) or resid 1147 through 1149 or (resid 1150 and (name N \ or name CA or name C or name O )) or resid 1151 through 1218 or (resid 1219 and \ (name N or name CA or name C or name O )) or resid 1220 through 1240 or (resid \ 1241 and (name N or name CA or name C or name O )) or resid 1242 through 1246)) selection = (chain 'C' and (resid 10 through 627 or (resid 628 and (name N or name CA or nam \ e C or name O )) or resid 629 through 634 or (resid 635 and (name N or name CA o \ r name C or name O )) or resid 636 through 647 or (resid 648 and (name N or name \ CA or name C or name O )) or resid 649 through 689 or (resid 690 and (name N or \ name CA or name C or name O )) or resid 691 through 719 or (resid 720 and (name \ N or name CA or name C or name O )) or resid 721 through 765 or (resid 766 and \ (name N or name CA or name C or name O )) or resid 767 through 810 or (resid 811 \ and (name N or name CA or name C or name O )) or resid 812 through 830 or (resi \ d 831 and (name N or name CA or name C or name O )) or resid 832 through 880 or \ (resid 881 and (name N or name CA or name C or name O )) or resid 882 through 88 \ 7 or (resid 888 and (name N or name CA or name C or name O )) or resid 889 throu \ gh 894 or (resid 895 and (name N or name CA or name C or name O )) or resid 896 \ through 951 or (resid 952 and (name N or name CA or name C or name O )) or resid \ 955 through 979 or (resid 980 and (name N or name CA or name C or name O )) or \ resid 981 through 999 or (resid 1000 and (name N or name CA or name C or name O \ )) or resid 1007 through 1065 or (resid 1066 and (name N or name CA or name C or \ name O )) or resid 1067 through 1125 or (resid 1126 and (name N or name CA or n \ ame C or name O )) or resid 1127 through 1145 or (resid 1146 and (name N or name \ CA or name C or name O )) or resid 1147 through 1149 or (resid 1150 and (name N \ or name CA or name C or name O )) or resid 1151 through 1218 or (resid 1219 and \ (name N or name CA or name C or name O )) or resid 1220 through 1240 or (resid \ 1241 and (name N or name CA or name C or name O )) or resid 1242 through 1246)) selection = (chain 'D' and (resid 10 through 627 or (resid 628 and (name N or name CA or nam \ e C or name O )) or resid 629 through 634 or (resid 635 and (name N or name CA o \ r name C or name O )) or resid 636 through 647 or (resid 648 and (name N or name \ CA or name C or name O )) or resid 649 through 689 or (resid 690 and (name N or \ name CA or name C or name O )) or resid 691 through 719 or (resid 720 and (name \ N or name CA or name C or name O )) or resid 721 through 765 or (resid 766 and \ (name N or name CA or name C or name O )) or resid 767 through 810 or (resid 811 \ and (name N or name CA or name C or name O )) or resid 812 through 830 or (resi \ d 831 and (name N or name CA or name C or name O )) or resid 832 through 880 or \ (resid 881 and (name N or name CA or name C or name O )) or resid 882 through 88 \ 7 or (resid 888 and (name N or name CA or name C or name O )) or resid 889 throu \ gh 894 or (resid 895 and (name N or name CA or name C or name O )) or resid 896 \ through 951 or (resid 952 and (name N or name CA or name C or name O )) or resid \ 955 through 979 or (resid 980 and (name N or name CA or name C or name O )) or \ resid 981 through 999 or (resid 1000 and (name N or name CA or name C or name O \ )) or resid 1007 through 1065 or (resid 1066 and (name N or name CA or name C or \ name O )) or resid 1067 through 1125 or (resid 1126 and (name N or name CA or n \ ame C or name O )) or resid 1127 through 1145 or (resid 1146 and (name N or name \ CA or name C or name O )) or resid 1147 through 1149 or (resid 1150 and (name N \ or name CA or name C or name O )) or resid 1151 through 1218 or (resid 1219 and \ (name N or name CA or name C or name O )) or resid 1220 through 1240 or (resid \ 1241 and (name N or name CA or name C or name O )) or resid 1242 through 1246)) selection = (chain 'E' and (resid 10 through 627 or (resid 628 and (name N or name CA or nam \ e C or name O )) or resid 629 through 634 or (resid 635 and (name N or name CA o \ r name C or name O )) or resid 636 through 647 or (resid 648 and (name N or name \ CA or name C or name O )) or resid 649 through 689 or (resid 690 and (name N or \ name CA or name C or name O )) or resid 691 through 719 or (resid 720 and (name \ N or name CA or name C or name O )) or resid 721 through 765 or (resid 766 and \ (name N or name CA or name C or name O )) or resid 767 through 810 or (resid 811 \ and (name N or name CA or name C or name O )) or resid 812 through 830 or (resi \ d 831 and (name N or name CA or name C or name O )) or resid 832 through 880 or \ (resid 881 and (name N or name CA or name C or name O )) or resid 882 through 88 \ 7 or (resid 888 and (name N or name CA or name C or name O )) or resid 889 throu \ gh 894 or (resid 895 and (name N or name CA or name C or name O )) or resid 896 \ through 951 or (resid 952 and (name N or name CA or name C or name O )) or resid \ 955 through 979 or (resid 980 and (name N or name CA or name C or name O )) or \ resid 981 through 999 or (resid 1000 and (name N or name CA or name C or name O \ )) or resid 1007 through 1065 or (resid 1066 and (name N or name CA or name C or \ name O )) or resid 1067 through 1125 or (resid 1126 and (name N or name CA or n \ ame C or name O )) or resid 1127 through 1145 or (resid 1146 and (name N or name \ CA or name C or name O )) or resid 1147 through 1149 or (resid 1150 and (name N \ or name CA or name C or name O )) or resid 1151 through 1218 or (resid 1219 and \ (name N or name CA or name C or name O )) or resid 1220 through 1240 or (resid \ 1241 and (name N or name CA or name C or name O )) or resid 1242 through 1246)) selection = (chain 'F' and (resid 10 through 627 or (resid 628 and (name N or name CA or nam \ e C or name O )) or resid 629 through 634 or (resid 635 and (name N or name CA o \ r name C or name O )) or resid 636 through 647 or (resid 648 and (name N or name \ CA or name C or name O )) or resid 649 through 689 or (resid 690 and (name N or \ name CA or name C or name O )) or resid 691 through 719 or (resid 720 and (name \ N or name CA or name C or name O )) or resid 721 through 765 or (resid 766 and \ (name N or name CA or name C or name O )) or resid 767 through 810 or (resid 811 \ and (name N or name CA or name C or name O )) or resid 812 through 830 or (resi \ d 831 and (name N or name CA or name C or name O )) or resid 832 through 880 or \ (resid 881 and (name N or name CA or name C or name O )) or resid 882 through 88 \ 7 or (resid 888 and (name N or name CA or name C or name O )) or resid 889 throu \ gh 894 or (resid 895 and (name N or name CA or name C or name O )) or resid 896 \ through 951 or (resid 952 and (name N or name CA or name C or name O )) or resid \ 955 through 979 or (resid 980 and (name N or name CA or name C or name O )) or \ resid 981 through 999 or (resid 1000 and (name N or name CA or name C or name O \ )) or resid 1007 through 1065 or (resid 1066 and (name N or name CA or name C or \ name O )) or resid 1067 through 1125 or (resid 1126 and (name N or name CA or n \ ame C or name O )) or resid 1127 through 1145 or (resid 1146 and (name N or name \ CA or name C or name O )) or resid 1147 through 1149 or (resid 1150 and (name N \ or name CA or name C or name O )) or resid 1151 through 1218 or (resid 1219 and \ (name N or name CA or name C or name O )) or resid 1220 through 1240 or (resid \ 1241 and (name N or name CA or name C or name O )) or resid 1242 through 1246)) selection = (chain 'G' and (resid 10 through 627 or (resid 628 and (name N or name CA or nam \ e C or name O )) or resid 629 through 634 or (resid 635 and (name N or name CA o \ r name C or name O )) or resid 636 through 647 or (resid 648 and (name N or name \ CA or name C or name O )) or resid 649 through 689 or (resid 690 and (name N or \ name CA or name C or name O )) or resid 691 through 719 or (resid 720 and (name \ N or name CA or name C or name O )) or resid 721 through 765 or (resid 766 and \ (name N or name CA or name C or name O )) or resid 767 through 810 or (resid 811 \ and (name N or name CA or name C or name O )) or resid 812 through 830 or (resi \ d 831 and (name N or name CA or name C or name O )) or resid 832 through 880 or \ (resid 881 and (name N or name CA or name C or name O )) or resid 882 through 88 \ 7 or (resid 888 and (name N or name CA or name C or name O )) or resid 889 throu \ gh 894 or (resid 895 and (name N or name CA or name C or name O )) or resid 896 \ through 951 or (resid 952 and (name N or name CA or name C or name O )) or resid \ 955 through 979 or (resid 980 and (name N or name CA or name C or name O )) or \ resid 981 through 999 or (resid 1000 and (name N or name CA or name C or name O \ )) or resid 1007 through 1065 or (resid 1066 and (name N or name CA or name C or \ name O )) or resid 1067 through 1125 or (resid 1126 and (name N or name CA or n \ ame C or name O )) or resid 1127 through 1145 or (resid 1146 and (name N or name \ CA or name C or name O )) or resid 1147 through 1149 or (resid 1150 and (name N \ or name CA or name C or name O )) or resid 1151 through 1218 or (resid 1219 and \ (name N or name CA or name C or name O )) or resid 1220 through 1240 or (resid \ 1241 and (name N or name CA or name C or name O )) or resid 1242 through 1246)) selection = (chain 'H' and (resid 10 through 627 or (resid 628 and (name N or name CA or nam \ e C or name O )) or resid 629 through 634 or (resid 635 and (name N or name CA o \ r name C or name O )) or resid 636 through 647 or (resid 648 and (name N or name \ CA or name C or name O )) or resid 649 through 689 or (resid 690 and (name N or \ name CA or name C or name O )) or resid 691 through 719 or (resid 720 and (name \ N or name CA or name C or name O )) or resid 721 through 765 or (resid 766 and \ (name N or name CA or name C or name O )) or resid 767 through 810 or (resid 811 \ and (name N or name CA or name C or name O )) or resid 812 through 830 or (resi \ d 831 and (name N or name CA or name C or name O )) or resid 832 through 880 or \ (resid 881 and (name N or name CA or name C or name O )) or resid 882 through 88 \ 7 or (resid 888 and (name N or name CA or name C or name O )) or resid 889 throu \ gh 894 or (resid 895 and (name N or name CA or name C or name O )) or resid 896 \ through 951 or (resid 952 and (name N or name CA or name C or name O )) or resid \ 955 through 979 or (resid 980 and (name N or name CA or name C or name O )) or \ resid 981 through 999 or (resid 1000 and (name N or name CA or name C or name O \ )) or resid 1007 through 1065 or (resid 1066 and (name N or name CA or name C or \ name O )) or resid 1067 through 1125 or (resid 1126 and (name N or name CA or n \ ame C or name O )) or resid 1127 through 1145 or (resid 1146 and (name N or name \ CA or name C or name O )) or resid 1147 through 1149 or (resid 1150 and (name N \ or name CA or name C or name O )) or resid 1151 through 1218 or (resid 1219 and \ (name N or name CA or name C or name O )) or resid 1220 through 1240 or (resid \ 1241 and (name N or name CA or name C or name O )) or resid 1242 through 1246)) selection = (chain 'I' and (resid 10 through 627 or (resid 628 and (name N or name CA or nam \ e C or name O )) or resid 629 through 634 or (resid 635 and (name N or name CA o \ r name C or name O )) or resid 636 through 647 or (resid 648 and (name N or name \ CA or name C or name O )) or resid 649 through 689 or (resid 690 and (name N or \ name CA or name C or name O )) or resid 691 through 719 or (resid 720 and (name \ N or name CA or name C or name O )) or resid 721 through 765 or (resid 766 and \ (name N or name CA or name C or name O )) or resid 767 through 810 or (resid 811 \ and (name N or name CA or name C or name O )) or resid 812 through 830 or (resi \ d 831 and (name N or name CA or name C or name O )) or resid 832 through 880 or \ (resid 881 and (name N or name CA or name C or name O )) or resid 882 through 88 \ 7 or (resid 888 and (name N or name CA or name C or name O )) or resid 889 throu \ gh 894 or (resid 895 and (name N or name CA or name C or name O )) or resid 896 \ through 951 or (resid 952 and (name N or name CA or name C or name O )) or resid \ 955 through 979 or (resid 980 and (name N or name CA or name C or name O )) or \ resid 981 through 999 or (resid 1000 and (name N or name CA or name C or name O \ )) or resid 1007 through 1065 or (resid 1066 and (name N or name CA or name C or \ name O )) or resid 1067 through 1125 or (resid 1126 and (name N or name CA or n \ ame C or name O )) or resid 1127 through 1145 or (resid 1146 and (name N or name \ CA or name C or name O )) or resid 1147 through 1149 or (resid 1150 and (name N \ or name CA or name C or name O )) or resid 1151 through 1218 or (resid 1219 and \ (name N or name CA or name C or name O )) or resid 1220 through 1240 or (resid \ 1241 and (name N or name CA or name C or name O )) or resid 1242 through 1246)) selection = (chain 'J' and (resid 10 through 627 or (resid 628 and (name N or name CA or nam \ e C or name O )) or resid 629 through 634 or (resid 635 and (name N or name CA o \ r name C or name O )) or resid 636 through 647 or (resid 648 and (name N or name \ CA or name C or name O )) or resid 649 through 689 or (resid 690 and (name N or \ name CA or name C or name O )) or resid 691 through 719 or (resid 720 and (name \ N or name CA or name C or name O )) or resid 721 through 765 or (resid 766 and \ (name N or name CA or name C or name O )) or resid 767 through 810 or (resid 811 \ and (name N or name CA or name C or name O )) or resid 812 through 830 or (resi \ d 831 and (name N or name CA or name C or name O )) or resid 832 through 880 or \ (resid 881 and (name N or name CA or name C or name O )) or resid 882 through 88 \ 7 or (resid 888 and (name N or name CA or name C or name O )) or resid 889 throu \ gh 894 or (resid 895 and (name N or name CA or name C or name O )) or resid 896 \ through 951 or (resid 952 and (name N or name CA or name C or name O )) or resid \ 955 through 979 or (resid 980 and (name N or name CA or name C or name O )) or \ resid 981 through 999 or (resid 1000 and (name N or name CA or name C or name O \ )) or resid 1007 through 1065 or (resid 1066 and (name N or name CA or name C or \ name O )) or resid 1067 through 1125 or (resid 1126 and (name N or name CA or n \ ame C or name O )) or resid 1127 through 1145 or (resid 1146 and (name N or name \ CA or name C or name O )) or resid 1147 through 1149 or (resid 1150 and (name N \ or name CA or name C or name O )) or resid 1151 through 1218 or (resid 1219 and \ (name N or name CA or name C or name O )) or resid 1220 through 1240 or (resid \ 1241 and (name N or name CA or name C or name O )) or resid 1242 through 1246)) selection = (chain 'K' and (resid 10 through 627 or (resid 628 and (name N or name CA or nam \ e C or name O )) or resid 629 through 634 or (resid 635 and (name N or name CA o \ r name C or name O )) or resid 636 through 647 or (resid 648 and (name N or name \ CA or name C or name O )) or resid 649 through 689 or (resid 690 and (name N or \ name CA or name C or name O )) or resid 691 through 719 or (resid 720 and (name \ N or name CA or name C or name O )) or resid 721 through 765 or (resid 766 and \ (name N or name CA or name C or name O )) or resid 767 through 810 or (resid 811 \ and (name N or name CA or name C or name O )) or resid 812 through 830 or (resi \ d 831 and (name N or name CA or name C or name O )) or resid 832 through 880 or \ (resid 881 and (name N or name CA or name C or name O )) or resid 882 through 88 \ 7 or (resid 888 and (name N or name CA or name C or name O )) or resid 889 throu \ gh 894 or (resid 895 and (name N or name CA or name C or name O )) or resid 896 \ through 951 or (resid 952 and (name N or name CA or name C or name O )) or resid \ 955 through 979 or (resid 980 and (name N or name CA or name C or name O )) or \ resid 981 through 999 or (resid 1000 and (name N or name CA or name C or name O \ )) or resid 1007 through 1065 or (resid 1066 and (name N or name CA or name C or \ name O )) or resid 1067 through 1125 or (resid 1126 and (name N or name CA or n \ ame C or name O )) or resid 1127 through 1145 or (resid 1146 and (name N or name \ CA or name C or name O )) or resid 1147 through 1149 or (resid 1150 and (name N \ or name CA or name C or name O )) or resid 1151 through 1218 or (resid 1219 and \ (name N or name CA or name C or name O )) or resid 1220 through 1240 or (resid \ 1241 and (name N or name CA or name C or name O )) or resid 1242 through 1246)) selection = (chain 'L' and (resid 10 through 627 or (resid 628 and (name N or name CA or nam \ e C or name O )) or resid 629 through 634 or (resid 635 and (name N or name CA o \ r name C or name O )) or resid 636 through 647 or (resid 648 and (name N or name \ CA or name C or name O )) or resid 649 through 689 or (resid 690 and (name N or \ name CA or name C or name O )) or resid 691 through 719 or (resid 720 and (name \ N or name CA or name C or name O )) or resid 721 through 765 or (resid 766 and \ (name N or name CA or name C or name O )) or resid 767 through 810 or (resid 811 \ and (name N or name CA or name C or name O )) or resid 812 through 830 or (resi \ d 831 and (name N or name CA or name C or name O )) or resid 832 through 880 or \ (resid 881 and (name N or name CA or name C or name O )) or resid 882 through 88 \ 7 or (resid 888 and (name N or name CA or name C or name O )) or resid 889 throu \ gh 894 or (resid 895 and (name N or name CA or name C or name O )) or resid 896 \ through 951 or (resid 952 and (name N or name CA or name C or name O )) or resid \ 955 through 979 or (resid 980 and (name N or name CA or name C or name O )) or \ resid 981 through 999 or (resid 1000 and (name N or name CA or name C or name O \ )) or resid 1007 through 1065 or (resid 1066 and (name N or name CA or name C or \ name O )) or resid 1067 through 1125 or (resid 1126 and (name N or name CA or n \ ame C or name O )) or resid 1127 through 1145 or (resid 1146 and (name N or name \ CA or name C or name O )) or resid 1147 through 1149 or (resid 1150 and (name N \ or name CA or name C or name O )) or resid 1151 through 1218 or (resid 1219 and \ (name N or name CA or name C or name O )) or resid 1220 through 1240 or (resid \ 1241 and (name N or name CA or name C or name O )) or resid 1242 through 1246)) selection = (chain 'M' and (resid 10 through 627 or (resid 628 and (name N or name CA or nam \ e C or name O )) or resid 629 through 634 or (resid 635 and (name N or name CA o \ r name C or name O )) or resid 636 through 647 or (resid 648 and (name N or name \ CA or name C or name O )) or resid 649 through 689 or (resid 690 and (name N or \ name CA or name C or name O )) or resid 691 through 719 or (resid 720 and (name \ N or name CA or name C or name O )) or resid 721 through 765 or (resid 766 and \ (name N or name CA or name C or name O )) or resid 767 through 810 or (resid 811 \ and (name N or name CA or name C or name O )) or resid 812 through 830 or (resi \ d 831 and (name N or name CA or name C or name O )) or resid 832 through 880 or \ (resid 881 and (name N or name CA or name C or name O )) or resid 882 through 88 \ 7 or (resid 888 and (name N or name CA or name C or name O )) or resid 889 throu \ gh 894 or (resid 895 and (name N or name CA or name C or name O )) or resid 896 \ through 951 or (resid 952 and (name N or name CA or name C or name O )) or resid \ 955 through 979 or (resid 980 and (name N or name CA or name C or name O )) or \ resid 981 through 999 or (resid 1000 and (name N or name CA or name C or name O \ )) or resid 1007 through 1065 or (resid 1066 and (name N or name CA or name C or \ name O )) or resid 1067 through 1125 or (resid 1126 and (name N or name CA or n \ ame C or name O )) or resid 1127 through 1145 or (resid 1146 and (name N or name \ CA or name C or name O )) or resid 1147 through 1149 or (resid 1150 and (name N \ or name CA or name C or name O )) or resid 1151 through 1218 or (resid 1219 and \ (name N or name CA or name C or name O )) or resid 1220 through 1240 or (resid \ 1241 and (name N or name CA or name C or name O )) or resid 1242 through 1246)) selection = (chain 'N' and (resid 10 through 627 or (resid 628 and (name N or name CA or nam \ e C or name O )) or resid 629 through 634 or (resid 635 and (name N or name CA o \ r name C or name O )) or resid 636 through 647 or (resid 648 and (name N or name \ CA or name C or name O )) or resid 649 through 689 or (resid 690 and (name N or \ name CA or name C or name O )) or resid 691 through 719 or (resid 720 and (name \ N or name CA or name C or name O )) or resid 721 through 765 or (resid 766 and \ (name N or name CA or name C or name O )) or resid 767 through 810 or (resid 811 \ and (name N or name CA or name C or name O )) or resid 812 through 830 or (resi \ d 831 and (name N or name CA or name C or name O )) or resid 832 through 880 or \ (resid 881 and (name N or name CA or name C or name O )) or resid 882 through 88 \ 7 or (resid 888 and (name N or name CA or name C or name O )) or resid 889 throu \ gh 894 or (resid 895 and (name N or name CA or name C or name O )) or resid 896 \ through 951 or (resid 952 and (name N or name CA or name C or name O )) or resid \ 955 through 979 or (resid 980 and (name N or name CA or name C or name O )) or \ resid 981 through 999 or (resid 1000 and (name N or name CA or name C or name O \ )) or resid 1007 through 1065 or (resid 1066 and (name N or name CA or name C or \ name O )) or resid 1067 through 1125 or (resid 1126 and (name N or name CA or n \ ame C or name O )) or resid 1127 through 1145 or (resid 1146 and (name N or name \ CA or name C or name O )) or resid 1147 through 1149 or (resid 1150 and (name N \ or name CA or name C or name O )) or resid 1151 through 1218 or (resid 1219 and \ (name N or name CA or name C or name O )) or resid 1220 through 1240 or (resid \ 1241 and (name N or name CA or name C or name O )) or resid 1242 through 1246)) selection = (chain 'O' and (resid 10 through 627 or (resid 628 and (name N or name CA or nam \ e C or name O )) or resid 629 through 634 or (resid 635 and (name N or name CA o \ r name C or name O )) or resid 636 through 647 or (resid 648 and (name N or name \ CA or name C or name O )) or resid 649 through 689 or (resid 690 and (name N or \ name CA or name C or name O )) or resid 691 through 719 or (resid 720 and (name \ N or name CA or name C or name O )) or resid 721 through 765 or (resid 766 and \ (name N or name CA or name C or name O )) or resid 767 through 810 or (resid 811 \ and (name N or name CA or name C or name O )) or resid 812 through 830 or (resi \ d 831 and (name N or name CA or name C or name O )) or resid 832 through 880 or \ (resid 881 and (name N or name CA or name C or name O )) or resid 882 through 88 \ 7 or (resid 888 and (name N or name CA or name C or name O )) or resid 889 throu \ gh 894 or (resid 895 and (name N or name CA or name C or name O )) or resid 896 \ through 951 or (resid 952 and (name N or name CA or name C or name O )) or resid \ 955 through 979 or (resid 980 and (name N or name CA or name C or name O )) or \ resid 981 through 999 or (resid 1000 and (name N or name CA or name C or name O \ )) or resid 1007 through 1065 or (resid 1066 and (name N or name CA or name C or \ name O )) or resid 1067 through 1125 or (resid 1126 and (name N or name CA or n \ ame C or name O )) or resid 1127 through 1145 or (resid 1146 and (name N or name \ CA or name C or name O )) or resid 1147 through 1149 or (resid 1150 and (name N \ or name CA or name C or name O )) or resid 1151 through 1218 or (resid 1219 and \ (name N or name CA or name C or name O )) or resid 1220 through 1240 or (resid \ 1241 and (name N or name CA or name C or name O )) or resid 1242 through 1246)) selection = (chain 'P' and (resid 10 through 627 or (resid 628 and (name N or name CA or nam \ e C or name O )) or resid 629 through 634 or (resid 635 and (name N or name CA o \ r name C or name O )) or resid 636 through 647 or (resid 648 and (name N or name \ CA or name C or name O )) or resid 649 through 689 or (resid 690 and (name N or \ name CA or name C or name O )) or resid 691 through 719 or (resid 720 and (name \ N or name CA or name C or name O )) or resid 721 through 765 or (resid 766 and \ (name N or name CA or name C or name O )) or resid 767 through 810 or (resid 811 \ and (name N or name CA or name C or name O )) or resid 812 through 830 or (resi \ d 831 and (name N or name CA or name C or name O )) or resid 832 through 880 or \ (resid 881 and (name N or name CA or name C or name O )) or resid 882 through 88 \ 7 or (resid 888 and (name N or name CA or name C or name O )) or resid 889 throu \ gh 894 or (resid 895 and (name N or name CA or name C or name O )) or resid 896 \ through 951 or (resid 952 and (name N or name CA or name C or name O )) or resid \ 955 through 979 or (resid 980 and (name N or name CA or name C or name O )) or \ resid 981 through 999 or (resid 1000 and (name N or name CA or name C or name O \ )) or resid 1007 through 1065 or (resid 1066 and (name N or name CA or name C or \ name O )) or resid 1067 through 1125 or (resid 1126 and (name N or name CA or n \ ame C or name O )) or resid 1127 through 1145 or (resid 1146 and (name N or name \ CA or name C or name O )) or resid 1147 through 1149 or (resid 1150 and (name N \ or name CA or name C or name O )) or resid 1151 through 1218 or (resid 1219 and \ (name N or name CA or name C or name O )) or resid 1220 through 1240 or (resid \ 1241 and (name N or name CA or name C or name O )) or resid 1242 through 1246)) selection = (chain 'Q' and (resid 10 through 625 or (resid 626 through 627 and (name N or na \ me CA or name C or name O )) or resid 628 through 632 or (resid 633 through 634 \ and (name N or name CA or name C or name O )) or resid 635 through 645 or (resid \ 646 through 647 and (name N or name CA or name C or name O )) or resid 648 thro \ ugh 686 or (resid 687 through 689 and (name N or name CA or name C or name O )) \ or resid 690 through 717 or (resid 718 through 719 and (name N or name CA or nam \ e C or name O )) or resid 720 through 763 or (resid 764 through 765 and (name N \ or name CA or name C or name O )) or resid 766 through 808 or (resid 809 through \ 810 and (name N or name CA or name C or name O )) or resid 811 through 828 or ( \ resid 829 through 830 and (name N or name CA or name C or name O )) or resid 831 \ through 878 or (resid 879 through 880 and (name N or name CA or name C or name \ O )) or resid 881 through 885 or (resid 886 through 887 and (name N or name CA o \ r name C or name O )) or resid 888 through 892 or (resid 893 through 894 and (na \ me N or name CA or name C or name O )) or resid 895 through 949 or (resid 950 th \ rough 951 and (name N or name CA or name C or name O )) or resid 952 through 977 \ or (resid 978 through 979 and (name N or name CA or name C or name O )) or resi \ d 980 through 997 or (resid 998 through 999 and (name N or name CA or name C or \ name O )) or resid 1000 through 1063 or (resid 1064 through 1065 and (name N or \ name CA or name C or name O )) or resid 1066 through 1123 or (resid 1124 through \ 1125 and (name N or name CA or name C or name O )) or resid 1126 through 1143 o \ r (resid 1144 through 1145 and (name N or name CA or name C or name O )) or resi \ d 1146 through 1147 or (resid 1148 through 1149 and (name N or name CA or name C \ or name O )) or resid 1150 through 1216 or (resid 1217 through 1218 and (name N \ or name CA or name C or name O )) or resid 1219 through 1238 or (resid 1239 thr \ ough 1240 and (name N or name CA or name C or name O )) or resid 1241 through 12 \ 45)) } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 1.250 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: 0.090 Extract box with map and model: 11.360 Check model and map are aligned: 1.210 Set scattering table: 0.750 Process input model: 205.010 Find NCS groups from input model: 8.680 Set up NCS constraints: 0.350 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.010 Load rotamer database and sin/cos tables:2.430 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 231.150 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6778 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 : 0.022 1.546 113878 Z= 1.355 Angle : 1.961 60.776 154904 Z= 1.163 Chirality : 0.119 1.586 19294 Planarity : 0.013 0.207 20033 Dihedral : 19.795 155.602 35604 Min Nonbonded Distance : 1.058 Molprobity Statistics. All-atom Clashscore : 81.48 Ramachandran Plot: Outliers : 0.95 % Allowed : 10.49 % Favored : 88.56 % Rotamer: Outliers : 27.30 % Allowed : 16.90 % Favored : 55.80 % Cbeta Deviations : 0.63 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.39 % Twisted Proline : 0.00 % Twisted General : 0.59 % 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: -4.09 (0.08), residues: 8464 helix: -2.89 (0.06), residues: 4304 sheet: -2.97 (0.23), residues: 480 loop : -2.26 (0.10), residues: 3680 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.016 0.003 TRP C 180 HIS 0.006 0.001 HIS K 287 PHE 0.028 0.002 PHE J 23 TYR 0.029 0.003 TYR C 131 ARG 0.020 0.001 ARG A 323 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 16928 Ramachandran restraints generated. 8464 Oldfield, 0 Emsley, 8464 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 16928 Ramachandran restraints generated. 8464 Oldfield, 0 Emsley, 8464 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 4656 residues out of total 8256 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2184 poor density : 2472 time to evaluate : 7.488 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 23 PHE cc_start: 0.8964 (OUTLIER) cc_final: 0.8723 (m-80) REVERT: A 186 CYS cc_start: 0.8088 (OUTLIER) cc_final: 0.7124 (m) REVERT: A 195 MET cc_start: 0.8871 (OUTLIER) cc_final: 0.8638 (tpp) REVERT: A 228 LEU cc_start: 0.9057 (OUTLIER) cc_final: 0.8780 (tt) REVERT: A 329 GLU cc_start: 0.6419 (tp30) cc_final: 0.5260 (mm-30) REVERT: A 368 MET cc_start: 0.6123 (OUTLIER) cc_final: 0.5884 (tmm) REVERT: A 411 VAL cc_start: 0.8352 (OUTLIER) cc_final: 0.8084 (p) REVERT: A 414 GLN cc_start: 0.7540 (OUTLIER) cc_final: 0.7223 (pt0) REVERT: A 536 GLU cc_start: 0.5151 (OUTLIER) cc_final: 0.4658 (mm-30) REVERT: C 186 CYS cc_start: 0.8012 (OUTLIER) cc_final: 0.6944 (m) REVERT: C 193 LEU cc_start: 0.9334 (OUTLIER) cc_final: 0.9066 (tp) REVERT: C 195 MET cc_start: 0.8966 (OUTLIER) cc_final: 0.8637 (tpp) REVERT: C 224 ILE cc_start: 0.9536 (tp) cc_final: 0.9299 (mm) REVERT: C 227 GLU cc_start: 0.8460 (tp30) cc_final: 0.7701 (tp30) REVERT: C 228 LEU cc_start: 0.9049 (OUTLIER) cc_final: 0.8767 (tt) REVERT: C 329 GLU cc_start: 0.6497 (tp30) cc_final: 0.5783 (mm-30) REVERT: C 411 VAL cc_start: 0.8403 (OUTLIER) cc_final: 0.8004 (p) REVERT: C 470 HIS cc_start: 0.5953 (OUTLIER) cc_final: 0.5387 (m-70) REVERT: C 536 GLU cc_start: 0.4367 (OUTLIER) cc_final: 0.4002 (mm-30) REVERT: D 23 PHE cc_start: 0.8971 (OUTLIER) cc_final: 0.8733 (m-80) REVERT: D 186 CYS cc_start: 0.8074 (OUTLIER) cc_final: 0.7111 (m) REVERT: D 195 MET cc_start: 0.8884 (OUTLIER) cc_final: 0.8654 (tpp) REVERT: D 228 LEU cc_start: 0.9064 (OUTLIER) cc_final: 0.8780 (tt) REVERT: D 242 LEU cc_start: 0.9303 (OUTLIER) cc_final: 0.9081 (pp) REVERT: D 329 GLU cc_start: 0.6447 (tp30) cc_final: 0.5293 (mm-30) REVERT: D 368 MET cc_start: 0.6137 (OUTLIER) cc_final: 0.5894 (tmm) REVERT: D 411 VAL cc_start: 0.8355 (OUTLIER) cc_final: 0.8093 (p) REVERT: D 414 GLN cc_start: 0.7517 (OUTLIER) cc_final: 0.7195 (pt0) REVERT: D 536 GLU cc_start: 0.5120 (OUTLIER) cc_final: 0.4630 (mm-30) REVERT: E 186 CYS cc_start: 0.8014 (OUTLIER) cc_final: 0.6947 (m) REVERT: E 193 LEU cc_start: 0.9333 (OUTLIER) cc_final: 0.9065 (tp) REVERT: E 195 MET cc_start: 0.8965 (OUTLIER) cc_final: 0.8638 (tpp) REVERT: E 224 ILE cc_start: 0.9536 (tp) cc_final: 0.9300 (mm) REVERT: E 227 GLU cc_start: 0.8459 (tp30) cc_final: 0.7698 (tp30) REVERT: E 228 LEU cc_start: 0.9049 (OUTLIER) cc_final: 0.8767 (tt) REVERT: E 329 GLU cc_start: 0.6495 (tp30) cc_final: 0.5783 (mm-30) REVERT: E 411 VAL cc_start: 0.8404 (OUTLIER) cc_final: 0.8007 (p) REVERT: E 470 HIS cc_start: 0.5953 (OUTLIER) cc_final: 0.5386 (m-70) REVERT: E 536 GLU cc_start: 0.4370 (OUTLIER) cc_final: 0.4002 (mm-30) REVERT: F 23 PHE cc_start: 0.8970 (OUTLIER) cc_final: 0.8731 (m-80) REVERT: F 186 CYS cc_start: 0.8077 (OUTLIER) cc_final: 0.7117 (m) REVERT: F 195 MET cc_start: 0.8885 (OUTLIER) cc_final: 0.8651 (tpp) REVERT: F 228 LEU cc_start: 0.9062 (OUTLIER) cc_final: 0.8775 (tt) REVERT: F 242 LEU cc_start: 0.9305 (OUTLIER) cc_final: 0.9083 (pp) REVERT: F 329 GLU cc_start: 0.6449 (tp30) cc_final: 0.5295 (mm-30) REVERT: F 368 MET cc_start: 0.6140 (OUTLIER) cc_final: 0.5894 (tmm) REVERT: F 411 VAL cc_start: 0.8350 (OUTLIER) cc_final: 0.8092 (p) REVERT: F 414 GLN cc_start: 0.7513 (OUTLIER) cc_final: 0.7191 (pt0) REVERT: F 536 GLU cc_start: 0.5122 (OUTLIER) cc_final: 0.4632 (mm-30) REVERT: G 186 CYS cc_start: 0.8015 (OUTLIER) cc_final: 0.6948 (m) REVERT: G 195 MET cc_start: 0.8966 (OUTLIER) cc_final: 0.8638 (tpp) REVERT: G 224 ILE cc_start: 0.9535 (tp) cc_final: 0.9298 (mm) REVERT: G 227 GLU cc_start: 0.8457 (tp30) cc_final: 0.7694 (tp30) REVERT: G 228 LEU cc_start: 0.9046 (OUTLIER) cc_final: 0.8771 (tt) REVERT: G 329 GLU cc_start: 0.6493 (tp30) cc_final: 0.5778 (mm-30) REVERT: G 411 VAL cc_start: 0.8401 (OUTLIER) cc_final: 0.8007 (p) REVERT: G 470 HIS cc_start: 0.5959 (OUTLIER) cc_final: 0.5389 (m-70) REVERT: G 536 GLU cc_start: 0.4369 (OUTLIER) cc_final: 0.4000 (mm-30) REVERT: H 23 PHE cc_start: 0.8974 (OUTLIER) cc_final: 0.8733 (m-80) REVERT: H 186 CYS cc_start: 0.8076 (OUTLIER) cc_final: 0.7113 (m) REVERT: H 195 MET cc_start: 0.8883 (OUTLIER) cc_final: 0.8651 (tpp) REVERT: H 228 LEU cc_start: 0.9064 (OUTLIER) cc_final: 0.8777 (tt) REVERT: H 242 LEU cc_start: 0.9304 (OUTLIER) cc_final: 0.9082 (pp) REVERT: H 329 GLU cc_start: 0.6449 (tp30) cc_final: 0.5300 (mm-30) REVERT: H 368 MET cc_start: 0.6137 (OUTLIER) cc_final: 0.5897 (tmm) REVERT: H 411 VAL cc_start: 0.8353 (OUTLIER) cc_final: 0.8090 (p) REVERT: H 414 GLN cc_start: 0.7512 (OUTLIER) cc_final: 0.7187 (pt0) REVERT: H 536 GLU cc_start: 0.5119 (OUTLIER) cc_final: 0.4632 (mm-30) REVERT: I 186 CYS cc_start: 0.8014 (OUTLIER) cc_final: 0.6946 (m) REVERT: I 195 MET cc_start: 0.8968 (OUTLIER) cc_final: 0.8635 (tpp) REVERT: I 224 ILE cc_start: 0.9535 (tp) cc_final: 0.9298 (mm) REVERT: I 227 GLU cc_start: 0.8459 (tp30) cc_final: 0.7697 (tp30) REVERT: I 228 LEU cc_start: 0.9048 (OUTLIER) cc_final: 0.8771 (tt) REVERT: I 329 GLU cc_start: 0.6495 (tp30) cc_final: 0.5778 (mm-30) REVERT: I 411 VAL cc_start: 0.8407 (OUTLIER) cc_final: 0.8009 (p) REVERT: I 470 HIS cc_start: 0.5959 (OUTLIER) cc_final: 0.5390 (m-70) REVERT: I 536 GLU cc_start: 0.4367 (OUTLIER) cc_final: 0.4000 (mm-30) REVERT: J 23 PHE cc_start: 0.8971 (OUTLIER) cc_final: 0.8732 (m-80) REVERT: J 186 CYS cc_start: 0.8075 (OUTLIER) cc_final: 0.7109 (m) REVERT: J 195 MET cc_start: 0.8884 (OUTLIER) cc_final: 0.8648 (tpp) REVERT: J 228 LEU cc_start: 0.9067 (OUTLIER) cc_final: 0.8781 (tt) REVERT: J 242 LEU cc_start: 0.9304 (OUTLIER) cc_final: 0.9082 (pp) REVERT: J 329 GLU cc_start: 0.6446 (tp30) cc_final: 0.5297 (mm-30) REVERT: J 368 MET cc_start: 0.6135 (OUTLIER) cc_final: 0.5895 (tmm) REVERT: J 411 VAL cc_start: 0.8353 (OUTLIER) cc_final: 0.8092 (p) REVERT: J 414 GLN cc_start: 0.7511 (OUTLIER) cc_final: 0.7187 (pt0) REVERT: J 536 GLU cc_start: 0.5116 (OUTLIER) cc_final: 0.4627 (mm-30) REVERT: K 186 CYS cc_start: 0.8015 (OUTLIER) cc_final: 0.6948 (m) REVERT: K 193 LEU cc_start: 0.9332 (OUTLIER) cc_final: 0.9066 (tp) REVERT: K 195 MET cc_start: 0.8961 (OUTLIER) cc_final: 0.8631 (tpp) REVERT: K 224 ILE cc_start: 0.9536 (tp) cc_final: 0.9298 (mm) REVERT: K 227 GLU cc_start: 0.8456 (tp30) cc_final: 0.7699 (tp30) REVERT: K 228 LEU cc_start: 0.9046 (OUTLIER) cc_final: 0.8764 (tt) REVERT: K 329 GLU cc_start: 0.6507 (tp30) cc_final: 0.5803 (mm-30) REVERT: K 411 VAL cc_start: 0.8412 (OUTLIER) cc_final: 0.8015 (p) REVERT: K 470 HIS cc_start: 0.5969 (OUTLIER) cc_final: 0.5398 (m-70) REVERT: K 536 GLU cc_start: 0.4368 (OUTLIER) cc_final: 0.3999 (mm-30) REVERT: L 23 PHE cc_start: 0.8972 (OUTLIER) cc_final: 0.8735 (m-80) REVERT: L 186 CYS cc_start: 0.8078 (OUTLIER) cc_final: 0.7112 (m) REVERT: L 195 MET cc_start: 0.8885 (OUTLIER) cc_final: 0.8645 (tpp) REVERT: L 228 LEU cc_start: 0.9066 (OUTLIER) cc_final: 0.8779 (tt) REVERT: L 242 LEU cc_start: 0.9303 (OUTLIER) cc_final: 0.9082 (pp) REVERT: L 329 GLU cc_start: 0.6453 (tp30) cc_final: 0.5307 (mm-30) REVERT: L 368 MET cc_start: 0.6137 (OUTLIER) cc_final: 0.5898 (tmm) REVERT: L 411 VAL cc_start: 0.8355 (OUTLIER) cc_final: 0.8092 (p) REVERT: L 414 GLN cc_start: 0.7515 (OUTLIER) cc_final: 0.7191 (pt0) REVERT: L 536 GLU cc_start: 0.5118 (OUTLIER) cc_final: 0.4628 (mm-30) REVERT: M 186 CYS cc_start: 0.8015 (OUTLIER) cc_final: 0.6944 (m) REVERT: M 195 MET cc_start: 0.8966 (OUTLIER) cc_final: 0.8633 (tpp) REVERT: M 224 ILE cc_start: 0.9534 (tp) cc_final: 0.9298 (mm) REVERT: M 227 GLU cc_start: 0.8456 (tp30) cc_final: 0.7691 (tp30) REVERT: M 228 LEU cc_start: 0.9045 (OUTLIER) cc_final: 0.8770 (tt) REVERT: M 329 GLU cc_start: 0.6498 (tp30) cc_final: 0.5781 (mm-30) REVERT: M 411 VAL cc_start: 0.8407 (OUTLIER) cc_final: 0.8008 (p) REVERT: M 470 HIS cc_start: 0.5958 (OUTLIER) cc_final: 0.5387 (m-70) REVERT: M 536 GLU cc_start: 0.4371 (OUTLIER) cc_final: 0.4002 (mm-30) REVERT: N 23 PHE cc_start: 0.8970 (OUTLIER) cc_final: 0.8735 (m-80) REVERT: N 186 CYS cc_start: 0.8078 (OUTLIER) cc_final: 0.7114 (m) REVERT: N 195 MET cc_start: 0.8885 (OUTLIER) cc_final: 0.8645 (tpp) REVERT: N 228 LEU cc_start: 0.9061 (OUTLIER) cc_final: 0.8774 (tt) REVERT: N 242 LEU cc_start: 0.9302 (OUTLIER) cc_final: 0.9079 (pp) REVERT: N 329 GLU cc_start: 0.6450 (tp30) cc_final: 0.5305 (mm-30) REVERT: N 368 MET cc_start: 0.6141 (OUTLIER) cc_final: 0.5902 (tmm) REVERT: N 411 VAL cc_start: 0.8354 (OUTLIER) cc_final: 0.8091 (p) REVERT: N 414 GLN cc_start: 0.7514 (OUTLIER) cc_final: 0.7189 (pt0) REVERT: N 536 GLU cc_start: 0.5119 (OUTLIER) cc_final: 0.4630 (mm-30) REVERT: O 186 CYS cc_start: 0.8013 (OUTLIER) cc_final: 0.6938 (m) REVERT: O 195 MET cc_start: 0.8967 (OUTLIER) cc_final: 0.8639 (tpp) REVERT: O 224 ILE cc_start: 0.9535 (tp) cc_final: 0.9300 (mm) REVERT: O 227 GLU cc_start: 0.8457 (tp30) cc_final: 0.7693 (tp30) REVERT: O 228 LEU cc_start: 0.9048 (OUTLIER) cc_final: 0.8773 (tt) REVERT: O 329 GLU cc_start: 0.6492 (tp30) cc_final: 0.5778 (mm-30) REVERT: O 411 VAL cc_start: 0.8407 (OUTLIER) cc_final: 0.8013 (p) REVERT: O 470 HIS cc_start: 0.5957 (OUTLIER) cc_final: 0.5389 (m-70) REVERT: O 536 GLU cc_start: 0.4369 (OUTLIER) cc_final: 0.4001 (mm-30) REVERT: P 23 PHE cc_start: 0.8972 (OUTLIER) cc_final: 0.8734 (m-80) REVERT: P 186 CYS cc_start: 0.8075 (OUTLIER) cc_final: 0.7108 (m) REVERT: P 195 MET cc_start: 0.8879 (OUTLIER) cc_final: 0.8641 (tpp) REVERT: P 228 LEU cc_start: 0.9064 (OUTLIER) cc_final: 0.8777 (tt) REVERT: P 242 LEU cc_start: 0.9306 (OUTLIER) cc_final: 0.9085 (pp) REVERT: P 329 GLU cc_start: 0.6450 (tp30) cc_final: 0.5299 (mm-30) REVERT: P 368 MET cc_start: 0.6141 (OUTLIER) cc_final: 0.5899 (tmm) REVERT: P 411 VAL cc_start: 0.8352 (OUTLIER) cc_final: 0.8091 (p) REVERT: P 414 GLN cc_start: 0.7515 (OUTLIER) cc_final: 0.7189 (pt0) REVERT: P 536 GLU cc_start: 0.5119 (OUTLIER) cc_final: 0.4630 (mm-30) REVERT: Q 186 CYS cc_start: 0.8004 (OUTLIER) cc_final: 0.6941 (m) REVERT: Q 195 MET cc_start: 0.8965 (OUTLIER) cc_final: 0.8636 (tpp) REVERT: Q 224 ILE cc_start: 0.9536 (tp) cc_final: 0.9305 (mm) REVERT: Q 227 GLU cc_start: 0.8451 (tp30) cc_final: 0.7688 (tp30) REVERT: Q 228 LEU cc_start: 0.9045 (OUTLIER) cc_final: 0.8776 (tt) REVERT: Q 329 GLU cc_start: 0.6493 (tp30) cc_final: 0.5775 (mm-30) REVERT: Q 411 VAL cc_start: 0.8394 (OUTLIER) cc_final: 0.7999 (p) REVERT: Q 470 HIS cc_start: 0.5961 (OUTLIER) cc_final: 0.5390 (m-70) REVERT: Q 536 GLU cc_start: 0.4378 (OUTLIER) cc_final: 0.4006 (mm-30) outliers start: 2184 outliers final: 710 residues processed: 3944 average time/residue: 0.9818 time to fit residues: 6653.8498 Evaluate side-chains 2193 residues out of total 8256 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 832 poor density : 1361 time to evaluate : 7.312 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 19 PHE Chi-restraints excluded: chain A residue 23 PHE Chi-restraints excluded: chain A residue 26 ASN Chi-restraints excluded: chain A residue 32 VAL Chi-restraints excluded: chain A residue 34 ASP Chi-restraints excluded: chain A residue 58 THR Chi-restraints excluded: chain A residue 82 ARG Chi-restraints excluded: chain A residue 86 LYS Chi-restraints excluded: chain A residue 87 PHE Chi-restraints excluded: chain A residue 90 SER Chi-restraints excluded: chain A residue 93 LYS Chi-restraints excluded: chain A residue 97 ARG Chi-restraints excluded: chain A residue 101 MET Chi-restraints excluded: chain A residue 110 ARG Chi-restraints excluded: chain A residue 129 GLN Chi-restraints excluded: chain A residue 131 TYR Chi-restraints excluded: chain A residue 135 ARG Chi-restraints excluded: chain A residue 158 THR Chi-restraints excluded: chain A residue 169 LYS Chi-restraints excluded: chain A residue 171 GLN Chi-restraints excluded: chain A residue 175 ASP Chi-restraints excluded: chain A residue 186 CYS Chi-restraints excluded: chain A residue 191 THR Chi-restraints excluded: chain A residue 195 MET Chi-restraints excluded: chain A residue 207 TRP Chi-restraints excluded: chain A residue 210 ARG Chi-restraints excluded: chain A residue 217 ILE Chi-restraints excluded: chain A residue 228 LEU Chi-restraints excluded: chain A residue 232 LEU Chi-restraints excluded: chain A residue 234 SER Chi-restraints excluded: chain A residue 244 LEU Chi-restraints excluded: chain A residue 260 CYS Chi-restraints excluded: chain A residue 263 LEU Chi-restraints excluded: chain A residue 264 LEU Chi-restraints excluded: chain A residue 275 LEU Chi-restraints excluded: chain A residue 279 THR Chi-restraints excluded: chain A residue 281 THR Chi-restraints excluded: chain A residue 292 LEU Chi-restraints excluded: chain A residue 297 VAL Chi-restraints excluded: chain A residue 321 PRO Chi-restraints excluded: chain A residue 352 ILE Chi-restraints excluded: chain A residue 353 ILE Chi-restraints excluded: chain A residue 361 GLU Chi-restraints excluded: chain A residue 368 MET Chi-restraints excluded: chain A residue 411 VAL Chi-restraints excluded: chain A residue 414 GLN Chi-restraints excluded: chain A residue 426 TYR Chi-restraints excluded: chain A residue 528 ILE Chi-restraints excluded: chain A residue 536 GLU Chi-restraints excluded: chain A residue 539 VAL Chi-restraints excluded: chain A residue 581 VAL Chi-restraints excluded: chain C residue 11 GLN Chi-restraints excluded: chain C residue 19 PHE Chi-restraints excluded: chain C residue 26 ASN Chi-restraints excluded: chain C residue 32 VAL Chi-restraints excluded: chain C residue 34 ASP Chi-restraints excluded: chain C residue 45 ILE Chi-restraints excluded: chain C residue 58 THR Chi-restraints excluded: chain C residue 66 LEU Chi-restraints excluded: chain C residue 82 ARG Chi-restraints excluded: chain C residue 86 LYS Chi-restraints excluded: chain C residue 87 PHE Chi-restraints excluded: chain C residue 90 SER Chi-restraints excluded: chain C residue 97 ARG Chi-restraints excluded: chain C residue 101 MET Chi-restraints excluded: chain C residue 110 ARG Chi-restraints excluded: chain C residue 129 GLN Chi-restraints excluded: chain C residue 131 TYR Chi-restraints excluded: chain C residue 157 LYS Chi-restraints excluded: chain C residue 158 THR Chi-restraints excluded: chain C residue 171 GLN Chi-restraints excluded: chain C residue 186 CYS Chi-restraints excluded: chain C residue 191 THR Chi-restraints excluded: chain C residue 193 LEU Chi-restraints excluded: chain C residue 195 MET Chi-restraints excluded: chain C residue 199 LEU Chi-restraints excluded: chain C residue 207 TRP Chi-restraints excluded: chain C residue 217 ILE Chi-restraints excluded: chain C residue 228 LEU Chi-restraints excluded: chain C residue 232 LEU Chi-restraints excluded: chain C residue 234 SER Chi-restraints excluded: chain C residue 242 LEU Chi-restraints excluded: chain C residue 246 ASN Chi-restraints excluded: chain C residue 260 CYS Chi-restraints excluded: chain C residue 263 LEU Chi-restraints excluded: chain C residue 264 LEU Chi-restraints excluded: chain C residue 275 LEU Chi-restraints excluded: chain C residue 281 THR Chi-restraints excluded: chain C residue 292 LEU Chi-restraints excluded: chain C residue 297 VAL Chi-restraints excluded: chain C residue 321 PRO Chi-restraints excluded: chain C residue 322 ARG Chi-restraints excluded: chain C residue 352 ILE Chi-restraints excluded: chain C residue 353 ILE Chi-restraints excluded: chain C residue 361 GLU Chi-restraints excluded: chain C residue 368 MET Chi-restraints excluded: chain C residue 411 VAL Chi-restraints excluded: chain C residue 426 TYR Chi-restraints excluded: chain C residue 470 HIS Chi-restraints excluded: chain C residue 528 ILE Chi-restraints excluded: chain C residue 536 GLU Chi-restraints excluded: chain C residue 539 VAL Chi-restraints excluded: chain D residue 19 PHE Chi-restraints excluded: chain D residue 23 PHE Chi-restraints excluded: chain D residue 26 ASN Chi-restraints excluded: chain D residue 32 VAL Chi-restraints excluded: chain D residue 34 ASP Chi-restraints excluded: chain D residue 58 THR Chi-restraints excluded: chain D residue 82 ARG Chi-restraints excluded: chain D residue 86 LYS Chi-restraints excluded: chain D residue 87 PHE Chi-restraints excluded: chain D residue 90 SER Chi-restraints excluded: chain D residue 93 LYS Chi-restraints excluded: chain D residue 97 ARG Chi-restraints excluded: chain D residue 101 MET Chi-restraints excluded: chain D residue 110 ARG Chi-restraints excluded: chain D residue 129 GLN Chi-restraints excluded: chain D residue 131 TYR Chi-restraints excluded: chain D residue 135 ARG Chi-restraints excluded: chain D residue 157 LYS Chi-restraints excluded: chain D residue 158 THR Chi-restraints excluded: chain D residue 169 LYS Chi-restraints excluded: chain D residue 171 GLN Chi-restraints excluded: chain D residue 175 ASP Chi-restraints excluded: chain D residue 186 CYS Chi-restraints excluded: chain D residue 191 THR Chi-restraints excluded: chain D residue 195 MET Chi-restraints excluded: chain D residue 207 TRP Chi-restraints excluded: chain D residue 210 ARG Chi-restraints excluded: chain D residue 217 ILE Chi-restraints excluded: chain D residue 228 LEU Chi-restraints excluded: chain D residue 232 LEU Chi-restraints excluded: chain D residue 234 SER Chi-restraints excluded: chain D residue 242 LEU Chi-restraints excluded: chain D residue 244 LEU Chi-restraints excluded: chain D residue 260 CYS Chi-restraints excluded: chain D residue 263 LEU Chi-restraints excluded: chain D residue 264 LEU Chi-restraints excluded: chain D residue 275 LEU Chi-restraints excluded: chain D residue 279 THR Chi-restraints excluded: chain D residue 281 THR Chi-restraints excluded: chain D residue 292 LEU Chi-restraints excluded: chain D residue 297 VAL Chi-restraints excluded: chain D residue 321 PRO Chi-restraints excluded: chain D residue 322 ARG Chi-restraints excluded: chain D residue 352 ILE Chi-restraints excluded: chain D residue 353 ILE Chi-restraints excluded: chain D residue 361 GLU Chi-restraints excluded: chain D residue 368 MET Chi-restraints excluded: chain D residue 411 VAL Chi-restraints excluded: chain D residue 414 GLN Chi-restraints excluded: chain D residue 426 TYR Chi-restraints excluded: chain D residue 528 ILE Chi-restraints excluded: chain D residue 536 GLU Chi-restraints excluded: chain D residue 539 VAL Chi-restraints excluded: chain D residue 581 VAL Chi-restraints excluded: chain E residue 11 GLN Chi-restraints excluded: chain E residue 19 PHE Chi-restraints excluded: chain E residue 26 ASN Chi-restraints excluded: chain E residue 32 VAL Chi-restraints excluded: chain E residue 34 ASP Chi-restraints excluded: chain E residue 45 ILE Chi-restraints excluded: chain E residue 58 THR Chi-restraints excluded: chain E residue 66 LEU Chi-restraints excluded: chain E residue 82 ARG Chi-restraints excluded: chain E residue 86 LYS Chi-restraints excluded: chain E residue 87 PHE Chi-restraints excluded: chain E residue 90 SER Chi-restraints excluded: chain E residue 97 ARG Chi-restraints excluded: chain E residue 101 MET Chi-restraints excluded: chain E residue 110 ARG Chi-restraints excluded: chain E residue 129 GLN Chi-restraints excluded: chain E residue 131 TYR Chi-restraints excluded: chain E residue 157 LYS Chi-restraints excluded: chain E residue 158 THR Chi-restraints excluded: chain E residue 171 GLN Chi-restraints excluded: chain E residue 186 CYS Chi-restraints excluded: chain E residue 191 THR Chi-restraints excluded: chain E residue 193 LEU Chi-restraints excluded: chain E residue 195 MET Chi-restraints excluded: chain E residue 199 LEU Chi-restraints excluded: chain E residue 207 TRP Chi-restraints excluded: chain E residue 217 ILE Chi-restraints excluded: chain E residue 228 LEU Chi-restraints excluded: chain E residue 232 LEU Chi-restraints excluded: chain E residue 234 SER Chi-restraints excluded: chain E residue 242 LEU Chi-restraints excluded: chain E residue 246 ASN Chi-restraints excluded: chain E residue 260 CYS Chi-restraints excluded: chain E residue 263 LEU Chi-restraints excluded: chain E residue 264 LEU Chi-restraints excluded: chain E residue 275 LEU Chi-restraints excluded: chain E residue 281 THR Chi-restraints excluded: chain E residue 292 LEU Chi-restraints excluded: chain E residue 297 VAL Chi-restraints excluded: chain E residue 321 PRO Chi-restraints excluded: chain E residue 322 ARG Chi-restraints excluded: chain E residue 352 ILE Chi-restraints excluded: chain E residue 353 ILE Chi-restraints excluded: chain E residue 361 GLU Chi-restraints excluded: chain E residue 368 MET Chi-restraints excluded: chain E residue 411 VAL Chi-restraints excluded: chain E residue 426 TYR Chi-restraints excluded: chain E residue 470 HIS Chi-restraints excluded: chain E residue 528 ILE Chi-restraints excluded: chain E residue 536 GLU Chi-restraints excluded: chain E residue 539 VAL Chi-restraints excluded: chain F residue 19 PHE Chi-restraints excluded: chain F residue 23 PHE Chi-restraints excluded: chain F residue 26 ASN Chi-restraints excluded: chain F residue 32 VAL Chi-restraints excluded: chain F residue 34 ASP Chi-restraints excluded: chain F residue 58 THR Chi-restraints excluded: chain F residue 82 ARG Chi-restraints excluded: chain F residue 86 LYS Chi-restraints excluded: chain F residue 87 PHE Chi-restraints excluded: chain F residue 90 SER Chi-restraints excluded: chain F residue 93 LYS Chi-restraints excluded: chain F residue 97 ARG Chi-restraints excluded: chain F residue 101 MET Chi-restraints excluded: chain F residue 110 ARG Chi-restraints excluded: chain F residue 129 GLN Chi-restraints excluded: chain F residue 131 TYR Chi-restraints excluded: chain F residue 135 ARG Chi-restraints excluded: chain F residue 157 LYS Chi-restraints excluded: chain F residue 158 THR Chi-restraints excluded: chain F residue 169 LYS Chi-restraints excluded: chain F residue 171 GLN Chi-restraints excluded: chain F residue 175 ASP Chi-restraints excluded: chain F residue 186 CYS Chi-restraints excluded: chain F residue 191 THR Chi-restraints excluded: chain F residue 195 MET Chi-restraints excluded: chain F residue 207 TRP Chi-restraints excluded: chain F residue 210 ARG Chi-restraints excluded: chain F residue 217 ILE Chi-restraints excluded: chain F residue 228 LEU Chi-restraints excluded: chain F residue 232 LEU Chi-restraints excluded: chain F residue 234 SER Chi-restraints excluded: chain F residue 242 LEU Chi-restraints excluded: chain F residue 244 LEU Chi-restraints excluded: chain F residue 260 CYS Chi-restraints excluded: chain F residue 263 LEU Chi-restraints excluded: chain F residue 264 LEU Chi-restraints excluded: chain F residue 275 LEU Chi-restraints excluded: chain F residue 279 THR Chi-restraints excluded: chain F residue 281 THR Chi-restraints excluded: chain F residue 292 LEU Chi-restraints excluded: chain F residue 297 VAL Chi-restraints excluded: chain F residue 321 PRO Chi-restraints excluded: chain F residue 322 ARG Chi-restraints excluded: chain F residue 352 ILE Chi-restraints excluded: chain F residue 353 ILE Chi-restraints excluded: chain F residue 361 GLU Chi-restraints excluded: chain F residue 368 MET Chi-restraints excluded: chain F residue 411 VAL Chi-restraints excluded: chain F residue 414 GLN Chi-restraints excluded: chain F residue 426 TYR Chi-restraints excluded: chain F residue 528 ILE Chi-restraints excluded: chain F residue 536 GLU Chi-restraints excluded: chain F residue 539 VAL Chi-restraints excluded: chain F residue 581 VAL Chi-restraints excluded: chain G residue 11 GLN Chi-restraints excluded: chain G residue 19 PHE Chi-restraints excluded: chain G residue 26 ASN Chi-restraints excluded: chain G residue 32 VAL Chi-restraints excluded: chain G residue 34 ASP Chi-restraints excluded: chain G residue 45 ILE Chi-restraints excluded: chain G residue 58 THR Chi-restraints excluded: chain G residue 66 LEU Chi-restraints excluded: chain G residue 82 ARG Chi-restraints excluded: chain G residue 86 LYS Chi-restraints excluded: chain G residue 87 PHE Chi-restraints excluded: chain G residue 90 SER Chi-restraints excluded: chain G residue 97 ARG Chi-restraints excluded: chain G residue 101 MET Chi-restraints excluded: chain G residue 110 ARG Chi-restraints excluded: chain G residue 129 GLN Chi-restraints excluded: chain G residue 131 TYR Chi-restraints excluded: chain G residue 157 LYS Chi-restraints excluded: chain G residue 158 THR Chi-restraints excluded: chain G residue 171 GLN Chi-restraints excluded: chain G residue 186 CYS Chi-restraints excluded: chain G residue 191 THR Chi-restraints excluded: chain G residue 195 MET Chi-restraints excluded: chain G residue 199 LEU Chi-restraints excluded: chain G residue 207 TRP Chi-restraints excluded: chain G residue 217 ILE Chi-restraints excluded: chain G residue 228 LEU Chi-restraints excluded: chain G residue 232 LEU Chi-restraints excluded: chain G residue 234 SER Chi-restraints excluded: chain G residue 242 LEU Chi-restraints excluded: chain G residue 246 ASN Chi-restraints excluded: chain G residue 260 CYS Chi-restraints excluded: chain G residue 263 LEU Chi-restraints excluded: chain G residue 264 LEU Chi-restraints excluded: chain G residue 275 LEU Chi-restraints excluded: chain G residue 281 THR Chi-restraints excluded: chain G residue 292 LEU Chi-restraints excluded: chain G residue 297 VAL Chi-restraints excluded: chain G residue 321 PRO Chi-restraints excluded: chain G residue 322 ARG Chi-restraints excluded: chain G residue 352 ILE Chi-restraints excluded: chain G residue 353 ILE Chi-restraints excluded: chain G residue 361 GLU Chi-restraints excluded: chain G residue 368 MET Chi-restraints excluded: chain G residue 411 VAL Chi-restraints excluded: chain G residue 426 TYR Chi-restraints excluded: chain G residue 470 HIS Chi-restraints excluded: chain G residue 528 ILE Chi-restraints excluded: chain G residue 536 GLU Chi-restraints excluded: chain G residue 539 VAL Chi-restraints excluded: chain H residue 19 PHE Chi-restraints excluded: chain H residue 23 PHE Chi-restraints excluded: chain H residue 26 ASN Chi-restraints excluded: chain H residue 32 VAL Chi-restraints excluded: chain H residue 34 ASP Chi-restraints excluded: chain H residue 58 THR Chi-restraints excluded: chain H residue 82 ARG Chi-restraints excluded: chain H residue 86 LYS Chi-restraints excluded: chain H residue 87 PHE Chi-restraints excluded: chain H residue 90 SER Chi-restraints excluded: chain H residue 93 LYS Chi-restraints excluded: chain H residue 97 ARG Chi-restraints excluded: chain H residue 101 MET Chi-restraints excluded: chain H residue 110 ARG Chi-restraints excluded: chain H residue 129 GLN Chi-restraints excluded: chain H residue 131 TYR Chi-restraints excluded: chain H residue 135 ARG Chi-restraints excluded: chain H residue 157 LYS Chi-restraints excluded: chain H residue 158 THR Chi-restraints excluded: chain H residue 169 LYS Chi-restraints excluded: chain H residue 171 GLN Chi-restraints excluded: chain H residue 175 ASP Chi-restraints excluded: chain H residue 186 CYS Chi-restraints excluded: chain H residue 191 THR Chi-restraints excluded: chain H residue 195 MET Chi-restraints excluded: chain H residue 207 TRP Chi-restraints excluded: chain H residue 210 ARG Chi-restraints excluded: chain H residue 217 ILE Chi-restraints excluded: chain H residue 228 LEU Chi-restraints excluded: chain H residue 232 LEU Chi-restraints excluded: chain H residue 234 SER Chi-restraints excluded: chain H residue 242 LEU Chi-restraints excluded: chain H residue 244 LEU Chi-restraints excluded: chain H residue 260 CYS Chi-restraints excluded: chain H residue 263 LEU Chi-restraints excluded: chain H residue 264 LEU Chi-restraints excluded: chain H residue 275 LEU Chi-restraints excluded: chain H residue 279 THR Chi-restraints excluded: chain H residue 281 THR Chi-restraints excluded: chain H residue 292 LEU Chi-restraints excluded: chain H residue 297 VAL Chi-restraints excluded: chain H residue 321 PRO Chi-restraints excluded: chain H residue 322 ARG Chi-restraints excluded: chain H residue 352 ILE Chi-restraints excluded: chain H residue 353 ILE Chi-restraints excluded: chain H residue 361 GLU Chi-restraints excluded: chain H residue 368 MET Chi-restraints excluded: chain H residue 411 VAL Chi-restraints excluded: chain H residue 414 GLN Chi-restraints excluded: chain H residue 426 TYR Chi-restraints excluded: chain H residue 528 ILE Chi-restraints excluded: chain H residue 536 GLU Chi-restraints excluded: chain H residue 539 VAL Chi-restraints excluded: chain H residue 581 VAL Chi-restraints excluded: chain I residue 11 GLN Chi-restraints excluded: chain I residue 19 PHE Chi-restraints excluded: chain I residue 26 ASN Chi-restraints excluded: chain I residue 32 VAL Chi-restraints excluded: chain I residue 34 ASP Chi-restraints excluded: chain I residue 45 ILE Chi-restraints excluded: chain I residue 58 THR Chi-restraints excluded: chain I residue 66 LEU Chi-restraints excluded: chain I residue 82 ARG Chi-restraints excluded: chain I residue 86 LYS Chi-restraints excluded: chain I residue 87 PHE Chi-restraints excluded: chain I residue 90 SER Chi-restraints excluded: chain I residue 97 ARG Chi-restraints excluded: chain I residue 101 MET Chi-restraints excluded: chain I residue 110 ARG Chi-restraints excluded: chain I residue 129 GLN Chi-restraints excluded: chain I residue 131 TYR Chi-restraints excluded: chain I residue 157 LYS Chi-restraints excluded: chain I residue 158 THR Chi-restraints excluded: chain I residue 171 GLN Chi-restraints excluded: chain I residue 186 CYS Chi-restraints excluded: chain I residue 191 THR Chi-restraints excluded: chain I residue 195 MET Chi-restraints excluded: chain I residue 199 LEU Chi-restraints excluded: chain I residue 207 TRP Chi-restraints excluded: chain I residue 217 ILE Chi-restraints excluded: chain I residue 228 LEU Chi-restraints excluded: chain I residue 232 LEU Chi-restraints excluded: chain I residue 234 SER Chi-restraints excluded: chain I residue 242 LEU Chi-restraints excluded: chain I residue 246 ASN Chi-restraints excluded: chain I residue 260 CYS Chi-restraints excluded: chain I residue 263 LEU Chi-restraints excluded: chain I residue 264 LEU Chi-restraints excluded: chain I residue 275 LEU Chi-restraints excluded: chain I residue 281 THR Chi-restraints excluded: chain I residue 292 LEU Chi-restraints excluded: chain I residue 297 VAL Chi-restraints excluded: chain I residue 321 PRO Chi-restraints excluded: chain I residue 322 ARG Chi-restraints excluded: chain I residue 352 ILE Chi-restraints excluded: chain I residue 353 ILE Chi-restraints excluded: chain I residue 361 GLU Chi-restraints excluded: chain I residue 368 MET Chi-restraints excluded: chain I residue 411 VAL Chi-restraints excluded: chain I residue 426 TYR Chi-restraints excluded: chain I residue 470 HIS Chi-restraints excluded: chain I residue 528 ILE Chi-restraints excluded: chain I residue 536 GLU Chi-restraints excluded: chain I residue 539 VAL Chi-restraints excluded: chain J residue 19 PHE Chi-restraints excluded: chain J residue 23 PHE Chi-restraints excluded: chain J residue 26 ASN Chi-restraints excluded: chain J residue 32 VAL Chi-restraints excluded: chain J residue 34 ASP Chi-restraints excluded: chain J residue 58 THR Chi-restraints excluded: chain J residue 82 ARG Chi-restraints excluded: chain J residue 86 LYS Chi-restraints excluded: chain J residue 87 PHE Chi-restraints excluded: chain J residue 90 SER Chi-restraints excluded: chain J residue 93 LYS Chi-restraints excluded: chain J residue 97 ARG Chi-restraints excluded: chain J residue 101 MET Chi-restraints excluded: chain J residue 110 ARG Chi-restraints excluded: chain J residue 129 GLN Chi-restraints excluded: chain J residue 131 TYR Chi-restraints excluded: chain J residue 135 ARG Chi-restraints excluded: chain J residue 157 LYS Chi-restraints excluded: chain J residue 158 THR Chi-restraints excluded: chain J residue 169 LYS Chi-restraints excluded: chain J residue 171 GLN Chi-restraints excluded: chain J residue 175 ASP Chi-restraints excluded: chain J residue 186 CYS Chi-restraints excluded: chain J residue 191 THR Chi-restraints excluded: chain J residue 195 MET Chi-restraints excluded: chain J residue 207 TRP Chi-restraints excluded: chain J residue 210 ARG Chi-restraints excluded: chain J residue 217 ILE Chi-restraints excluded: chain J residue 228 LEU Chi-restraints excluded: chain J residue 232 LEU Chi-restraints excluded: chain J residue 234 SER Chi-restraints excluded: chain J residue 242 LEU Chi-restraints excluded: chain J residue 244 LEU Chi-restraints excluded: chain J residue 260 CYS Chi-restraints excluded: chain J residue 263 LEU Chi-restraints excluded: chain J residue 264 LEU Chi-restraints excluded: chain J residue 275 LEU Chi-restraints excluded: chain J residue 279 THR Chi-restraints excluded: chain J residue 281 THR Chi-restraints excluded: chain J residue 292 LEU Chi-restraints excluded: chain J residue 297 VAL Chi-restraints excluded: chain J residue 321 PRO Chi-restraints excluded: chain J residue 322 ARG Chi-restraints excluded: chain J residue 352 ILE Chi-restraints excluded: chain J residue 353 ILE Chi-restraints excluded: chain J residue 361 GLU Chi-restraints excluded: chain J residue 368 MET Chi-restraints excluded: chain J residue 411 VAL Chi-restraints excluded: chain J residue 414 GLN Chi-restraints excluded: chain J residue 426 TYR Chi-restraints excluded: chain J residue 528 ILE Chi-restraints excluded: chain J residue 536 GLU Chi-restraints excluded: chain J residue 539 VAL Chi-restraints excluded: chain J residue 581 VAL Chi-restraints excluded: chain K residue 11 GLN Chi-restraints excluded: chain K residue 19 PHE Chi-restraints excluded: chain K residue 26 ASN Chi-restraints excluded: chain K residue 32 VAL Chi-restraints excluded: chain K residue 34 ASP Chi-restraints excluded: chain K residue 45 ILE Chi-restraints excluded: chain K residue 58 THR Chi-restraints excluded: chain K residue 66 LEU Chi-restraints excluded: chain K residue 82 ARG Chi-restraints excluded: chain K residue 86 LYS Chi-restraints excluded: chain K residue 87 PHE Chi-restraints excluded: chain K residue 90 SER Chi-restraints excluded: chain K residue 97 ARG Chi-restraints excluded: chain K residue 101 MET Chi-restraints excluded: chain K residue 110 ARG Chi-restraints excluded: chain K residue 129 GLN Chi-restraints excluded: chain K residue 131 TYR Chi-restraints excluded: chain K residue 157 LYS Chi-restraints excluded: chain K residue 158 THR Chi-restraints excluded: chain K residue 171 GLN Chi-restraints excluded: chain K residue 186 CYS Chi-restraints excluded: chain K residue 191 THR Chi-restraints excluded: chain K residue 193 LEU Chi-restraints excluded: chain K residue 195 MET Chi-restraints excluded: chain K residue 199 LEU Chi-restraints excluded: chain K residue 207 TRP Chi-restraints excluded: chain K residue 217 ILE Chi-restraints excluded: chain K residue 228 LEU Chi-restraints excluded: chain K residue 232 LEU Chi-restraints excluded: chain K residue 234 SER Chi-restraints excluded: chain K residue 242 LEU Chi-restraints excluded: chain K residue 246 ASN Chi-restraints excluded: chain K residue 260 CYS Chi-restraints excluded: chain K residue 263 LEU Chi-restraints excluded: chain K residue 264 LEU Chi-restraints excluded: chain K residue 275 LEU Chi-restraints excluded: chain K residue 281 THR Chi-restraints excluded: chain K residue 292 LEU Chi-restraints excluded: chain K residue 297 VAL Chi-restraints excluded: chain K residue 321 PRO Chi-restraints excluded: chain K residue 322 ARG Chi-restraints excluded: chain K residue 352 ILE Chi-restraints excluded: chain K residue 353 ILE Chi-restraints excluded: chain K residue 361 GLU Chi-restraints excluded: chain K residue 368 MET Chi-restraints excluded: chain K residue 411 VAL Chi-restraints excluded: chain K residue 426 TYR Chi-restraints excluded: chain K residue 470 HIS Chi-restraints excluded: chain K residue 528 ILE Chi-restraints excluded: chain K residue 536 GLU Chi-restraints excluded: chain K residue 539 VAL Chi-restraints excluded: chain L residue 19 PHE Chi-restraints excluded: chain L residue 23 PHE Chi-restraints excluded: chain L residue 26 ASN Chi-restraints excluded: chain L residue 32 VAL Chi-restraints excluded: chain L residue 34 ASP Chi-restraints excluded: chain L residue 58 THR Chi-restraints excluded: chain L residue 82 ARG Chi-restraints excluded: chain L residue 86 LYS Chi-restraints excluded: chain L residue 87 PHE Chi-restraints excluded: chain L residue 90 SER Chi-restraints excluded: chain L residue 93 LYS Chi-restraints excluded: chain L residue 97 ARG Chi-restraints excluded: chain L residue 101 MET Chi-restraints excluded: chain L residue 110 ARG Chi-restraints excluded: chain L residue 129 GLN Chi-restraints excluded: chain L residue 131 TYR Chi-restraints excluded: chain L residue 135 ARG Chi-restraints excluded: chain L residue 157 LYS Chi-restraints excluded: chain L residue 158 THR Chi-restraints excluded: chain L residue 169 LYS Chi-restraints excluded: chain L residue 171 GLN Chi-restraints excluded: chain L residue 175 ASP Chi-restraints excluded: chain L residue 186 CYS Chi-restraints excluded: chain L residue 191 THR Chi-restraints excluded: chain L residue 195 MET Chi-restraints excluded: chain L residue 207 TRP Chi-restraints excluded: chain L residue 210 ARG Chi-restraints excluded: chain L residue 217 ILE Chi-restraints excluded: chain L residue 228 LEU Chi-restraints excluded: chain L residue 232 LEU Chi-restraints excluded: chain L residue 234 SER Chi-restraints excluded: chain L residue 242 LEU Chi-restraints excluded: chain L residue 244 LEU Chi-restraints excluded: chain L residue 260 CYS Chi-restraints excluded: chain L residue 263 LEU Chi-restraints excluded: chain L residue 264 LEU Chi-restraints excluded: chain L residue 275 LEU Chi-restraints excluded: chain L residue 279 THR Chi-restraints excluded: chain L residue 281 THR Chi-restraints excluded: chain L residue 292 LEU Chi-restraints excluded: chain L residue 297 VAL Chi-restraints excluded: chain L residue 321 PRO Chi-restraints excluded: chain L residue 322 ARG Chi-restraints excluded: chain L residue 352 ILE Chi-restraints excluded: chain L residue 353 ILE Chi-restraints excluded: chain L residue 361 GLU Chi-restraints excluded: chain L residue 368 MET Chi-restraints excluded: chain L residue 411 VAL Chi-restraints excluded: chain L residue 414 GLN Chi-restraints excluded: chain L residue 426 TYR Chi-restraints excluded: chain L residue 528 ILE Chi-restraints excluded: chain L residue 536 GLU Chi-restraints excluded: chain L residue 539 VAL Chi-restraints excluded: chain L residue 581 VAL Chi-restraints excluded: chain M residue 11 GLN Chi-restraints excluded: chain M residue 19 PHE Chi-restraints excluded: chain M residue 26 ASN Chi-restraints excluded: chain M residue 32 VAL Chi-restraints excluded: chain M residue 34 ASP Chi-restraints excluded: chain M residue 45 ILE Chi-restraints excluded: chain M residue 58 THR Chi-restraints excluded: chain M residue 66 LEU Chi-restraints excluded: chain M residue 82 ARG Chi-restraints excluded: chain M residue 86 LYS Chi-restraints excluded: chain M residue 87 PHE Chi-restraints excluded: chain M residue 90 SER Chi-restraints excluded: chain M residue 97 ARG Chi-restraints excluded: chain M residue 101 MET Chi-restraints excluded: chain M residue 110 ARG Chi-restraints excluded: chain M residue 129 GLN Chi-restraints excluded: chain M residue 131 TYR Chi-restraints excluded: chain M residue 157 LYS Chi-restraints excluded: chain M residue 158 THR Chi-restraints excluded: chain M residue 171 GLN Chi-restraints excluded: chain M residue 186 CYS Chi-restraints excluded: chain M residue 191 THR Chi-restraints excluded: chain M residue 195 MET Chi-restraints excluded: chain M residue 199 LEU Chi-restraints excluded: chain M residue 207 TRP Chi-restraints excluded: chain M residue 217 ILE Chi-restraints excluded: chain M residue 228 LEU Chi-restraints excluded: chain M residue 232 LEU Chi-restraints excluded: chain M residue 234 SER Chi-restraints excluded: chain M residue 242 LEU Chi-restraints excluded: chain M residue 246 ASN Chi-restraints excluded: chain M residue 260 CYS Chi-restraints excluded: chain M residue 263 LEU Chi-restraints excluded: chain M residue 264 LEU Chi-restraints excluded: chain M residue 275 LEU Chi-restraints excluded: chain M residue 281 THR Chi-restraints excluded: chain M residue 292 LEU Chi-restraints excluded: chain M residue 297 VAL Chi-restraints excluded: chain M residue 321 PRO Chi-restraints excluded: chain M residue 322 ARG Chi-restraints excluded: chain M residue 352 ILE Chi-restraints excluded: chain M residue 353 ILE Chi-restraints excluded: chain M residue 361 GLU Chi-restraints excluded: chain M residue 368 MET Chi-restraints excluded: chain M residue 411 VAL Chi-restraints excluded: chain M residue 426 TYR Chi-restraints excluded: chain M residue 470 HIS Chi-restraints excluded: chain M residue 528 ILE Chi-restraints excluded: chain M residue 536 GLU Chi-restraints excluded: chain M residue 539 VAL Chi-restraints excluded: chain N residue 19 PHE Chi-restraints excluded: chain N residue 23 PHE Chi-restraints excluded: chain N residue 26 ASN Chi-restraints excluded: chain N residue 32 VAL Chi-restraints excluded: chain N residue 34 ASP Chi-restraints excluded: chain N residue 58 THR Chi-restraints excluded: chain N residue 82 ARG Chi-restraints excluded: chain N residue 86 LYS Chi-restraints excluded: chain N residue 87 PHE Chi-restraints excluded: chain N residue 90 SER Chi-restraints excluded: chain N residue 93 LYS Chi-restraints excluded: chain N residue 97 ARG Chi-restraints excluded: chain N residue 101 MET Chi-restraints excluded: chain N residue 110 ARG Chi-restraints excluded: chain N residue 129 GLN Chi-restraints excluded: chain N residue 131 TYR Chi-restraints excluded: chain N residue 135 ARG Chi-restraints excluded: chain N residue 157 LYS Chi-restraints excluded: chain N residue 158 THR Chi-restraints excluded: chain N residue 169 LYS Chi-restraints excluded: chain N residue 171 GLN Chi-restraints excluded: chain N residue 175 ASP Chi-restraints excluded: chain N residue 186 CYS Chi-restraints excluded: chain N residue 191 THR Chi-restraints excluded: chain N residue 195 MET Chi-restraints excluded: chain N residue 207 TRP Chi-restraints excluded: chain N residue 210 ARG Chi-restraints excluded: chain N residue 217 ILE Chi-restraints excluded: chain N residue 228 LEU Chi-restraints excluded: chain N residue 232 LEU Chi-restraints excluded: chain N residue 234 SER Chi-restraints excluded: chain N residue 242 LEU Chi-restraints excluded: chain N residue 244 LEU Chi-restraints excluded: chain N residue 260 CYS Chi-restraints excluded: chain N residue 263 LEU Chi-restraints excluded: chain N residue 264 LEU Chi-restraints excluded: chain N residue 275 LEU Chi-restraints excluded: chain N residue 279 THR Chi-restraints excluded: chain N residue 281 THR Chi-restraints excluded: chain N residue 292 LEU Chi-restraints excluded: chain N residue 297 VAL Chi-restraints excluded: chain N residue 321 PRO Chi-restraints excluded: chain N residue 322 ARG Chi-restraints excluded: chain N residue 352 ILE Chi-restraints excluded: chain N residue 353 ILE Chi-restraints excluded: chain N residue 361 GLU Chi-restraints excluded: chain N residue 368 MET Chi-restraints excluded: chain N residue 411 VAL Chi-restraints excluded: chain N residue 414 GLN Chi-restraints excluded: chain N residue 426 TYR Chi-restraints excluded: chain N residue 528 ILE Chi-restraints excluded: chain N residue 536 GLU Chi-restraints excluded: chain N residue 539 VAL Chi-restraints excluded: chain N residue 581 VAL Chi-restraints excluded: chain O residue 11 GLN Chi-restraints excluded: chain O residue 19 PHE Chi-restraints excluded: chain O residue 26 ASN Chi-restraints excluded: chain O residue 32 VAL Chi-restraints excluded: chain O residue 34 ASP Chi-restraints excluded: chain O residue 45 ILE Chi-restraints excluded: chain O residue 58 THR Chi-restraints excluded: chain O residue 66 LEU Chi-restraints excluded: chain O residue 82 ARG Chi-restraints excluded: chain O residue 86 LYS Chi-restraints excluded: chain O residue 87 PHE Chi-restraints excluded: chain O residue 90 SER Chi-restraints excluded: chain O residue 97 ARG Chi-restraints excluded: chain O residue 101 MET Chi-restraints excluded: chain O residue 110 ARG Chi-restraints excluded: chain O residue 129 GLN Chi-restraints excluded: chain O residue 131 TYR Chi-restraints excluded: chain O residue 157 LYS Chi-restraints excluded: chain O residue 158 THR Chi-restraints excluded: chain O residue 171 GLN Chi-restraints excluded: chain O residue 186 CYS Chi-restraints excluded: chain O residue 191 THR Chi-restraints excluded: chain O residue 195 MET Chi-restraints excluded: chain O residue 199 LEU Chi-restraints excluded: chain O residue 207 TRP Chi-restraints excluded: chain O residue 217 ILE Chi-restraints excluded: chain O residue 228 LEU Chi-restraints excluded: chain O residue 232 LEU Chi-restraints excluded: chain O residue 234 SER Chi-restraints excluded: chain O residue 242 LEU Chi-restraints excluded: chain O residue 246 ASN Chi-restraints excluded: chain O residue 260 CYS Chi-restraints excluded: chain O residue 263 LEU Chi-restraints excluded: chain O residue 264 LEU Chi-restraints excluded: chain O residue 275 LEU Chi-restraints excluded: chain O residue 281 THR Chi-restraints excluded: chain O residue 292 LEU Chi-restraints excluded: chain O residue 297 VAL Chi-restraints excluded: chain O residue 321 PRO Chi-restraints excluded: chain O residue 322 ARG Chi-restraints excluded: chain O residue 352 ILE Chi-restraints excluded: chain O residue 353 ILE Chi-restraints excluded: chain O residue 361 GLU Chi-restraints excluded: chain O residue 368 MET Chi-restraints excluded: chain O residue 411 VAL Chi-restraints excluded: chain O residue 426 TYR Chi-restraints excluded: chain O residue 470 HIS Chi-restraints excluded: chain O residue 528 ILE Chi-restraints excluded: chain O residue 536 GLU Chi-restraints excluded: chain O residue 539 VAL Chi-restraints excluded: chain P residue 19 PHE Chi-restraints excluded: chain P residue 23 PHE Chi-restraints excluded: chain P residue 26 ASN Chi-restraints excluded: chain P residue 32 VAL Chi-restraints excluded: chain P residue 34 ASP Chi-restraints excluded: chain P residue 58 THR Chi-restraints excluded: chain P residue 82 ARG Chi-restraints excluded: chain P residue 86 LYS Chi-restraints excluded: chain P residue 87 PHE Chi-restraints excluded: chain P residue 90 SER Chi-restraints excluded: chain P residue 93 LYS Chi-restraints excluded: chain P residue 97 ARG Chi-restraints excluded: chain P residue 101 MET Chi-restraints excluded: chain P residue 110 ARG Chi-restraints excluded: chain P residue 129 GLN Chi-restraints excluded: chain P residue 131 TYR Chi-restraints excluded: chain P residue 135 ARG Chi-restraints excluded: chain P residue 157 LYS Chi-restraints excluded: chain P residue 158 THR Chi-restraints excluded: chain P residue 169 LYS Chi-restraints excluded: chain P residue 171 GLN Chi-restraints excluded: chain P residue 175 ASP Chi-restraints excluded: chain P residue 186 CYS Chi-restraints excluded: chain P residue 191 THR Chi-restraints excluded: chain P residue 195 MET Chi-restraints excluded: chain P residue 207 TRP Chi-restraints excluded: chain P residue 210 ARG Chi-restraints excluded: chain P residue 217 ILE Chi-restraints excluded: chain P residue 228 LEU Chi-restraints excluded: chain P residue 232 LEU Chi-restraints excluded: chain P residue 234 SER Chi-restraints excluded: chain P residue 242 LEU Chi-restraints excluded: chain P residue 244 LEU Chi-restraints excluded: chain P residue 260 CYS Chi-restraints excluded: chain P residue 263 LEU Chi-restraints excluded: chain P residue 264 LEU Chi-restraints excluded: chain P residue 275 LEU Chi-restraints excluded: chain P residue 279 THR Chi-restraints excluded: chain P residue 281 THR Chi-restraints excluded: chain P residue 292 LEU Chi-restraints excluded: chain P residue 297 VAL Chi-restraints excluded: chain P residue 321 PRO Chi-restraints excluded: chain P residue 322 ARG Chi-restraints excluded: chain P residue 352 ILE Chi-restraints excluded: chain P residue 353 ILE Chi-restraints excluded: chain P residue 361 GLU Chi-restraints excluded: chain P residue 368 MET Chi-restraints excluded: chain P residue 411 VAL Chi-restraints excluded: chain P residue 414 GLN Chi-restraints excluded: chain P residue 426 TYR Chi-restraints excluded: chain P residue 528 ILE Chi-restraints excluded: chain P residue 536 GLU Chi-restraints excluded: chain P residue 539 VAL Chi-restraints excluded: chain P residue 581 VAL Chi-restraints excluded: chain Q residue 11 GLN Chi-restraints excluded: chain Q residue 19 PHE Chi-restraints excluded: chain Q residue 26 ASN Chi-restraints excluded: chain Q residue 32 VAL Chi-restraints excluded: chain Q residue 34 ASP Chi-restraints excluded: chain Q residue 45 ILE Chi-restraints excluded: chain Q residue 58 THR Chi-restraints excluded: chain Q residue 66 LEU Chi-restraints excluded: chain Q residue 82 ARG Chi-restraints excluded: chain Q residue 86 LYS Chi-restraints excluded: chain Q residue 87 PHE Chi-restraints excluded: chain Q residue 90 SER Chi-restraints excluded: chain Q residue 97 ARG Chi-restraints excluded: chain Q residue 101 MET Chi-restraints excluded: chain Q residue 110 ARG Chi-restraints excluded: chain Q residue 129 GLN Chi-restraints excluded: chain Q residue 131 TYR Chi-restraints excluded: chain Q residue 157 LYS Chi-restraints excluded: chain Q residue 158 THR Chi-restraints excluded: chain Q residue 171 GLN Chi-restraints excluded: chain Q residue 186 CYS Chi-restraints excluded: chain Q residue 191 THR Chi-restraints excluded: chain Q residue 195 MET Chi-restraints excluded: chain Q residue 199 LEU Chi-restraints excluded: chain Q residue 207 TRP Chi-restraints excluded: chain Q residue 217 ILE Chi-restraints excluded: chain Q residue 228 LEU Chi-restraints excluded: chain Q residue 232 LEU Chi-restraints excluded: chain Q residue 234 SER Chi-restraints excluded: chain Q residue 242 LEU Chi-restraints excluded: chain Q residue 246 ASN Chi-restraints excluded: chain Q residue 260 CYS Chi-restraints excluded: chain Q residue 263 LEU Chi-restraints excluded: chain Q residue 264 LEU Chi-restraints excluded: chain Q residue 275 LEU Chi-restraints excluded: chain Q residue 281 THR Chi-restraints excluded: chain Q residue 292 LEU Chi-restraints excluded: chain Q residue 297 VAL Chi-restraints excluded: chain Q residue 321 PRO Chi-restraints excluded: chain Q residue 322 ARG Chi-restraints excluded: chain Q residue 352 ILE Chi-restraints excluded: chain Q residue 353 ILE Chi-restraints excluded: chain Q residue 361 GLU Chi-restraints excluded: chain Q residue 368 MET Chi-restraints excluded: chain Q residue 411 VAL Chi-restraints excluded: chain Q residue 426 TYR Chi-restraints excluded: chain Q residue 470 HIS Chi-restraints excluded: chain Q residue 528 ILE Chi-restraints excluded: chain Q residue 536 GLU Chi-restraints excluded: chain Q residue 539 VAL Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 8.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 124 ASN ** A 129 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 239 ASN ** A 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 287 HIS ** A 343 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 69 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 74 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 109 GLN ** C 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 129 GLN ** C 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 287 HIS C 414 GLN ** C 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 129 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 239 ASN ** D 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 287 HIS ** D 343 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 69 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 74 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 109 GLN ** E 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 129 GLN ** E 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** E 287 HIS E 414 GLN ** E 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 129 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 239 ASN ** F 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** F 287 HIS ** F 343 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 69 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 74 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 109 GLN ** G 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 129 GLN ** G 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 287 HIS G 414 GLN ** G 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 129 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 239 ASN ** H 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 287 HIS ** H 343 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 69 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 74 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 109 GLN ** I 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 129 GLN ** I 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** I 287 HIS I 414 GLN ** I 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 129 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 239 ASN ** J 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 287 HIS ** J 343 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 69 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 74 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 109 GLN ** K 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 129 GLN ** K 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 287 HIS K 288 HIS K 414 GLN ** K 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 129 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 239 ASN ** L 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 287 HIS ** L 343 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 69 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 74 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 109 GLN ** M 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 287 HIS M 414 GLN ** M 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 129 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 239 ASN ** N 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** N 287 HIS ** N 343 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 69 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 74 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 109 GLN ** O 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 129 GLN ** O 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 287 HIS O 414 GLN ** O 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 129 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 239 ASN ** P 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 287 HIS ** P 343 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 69 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 74 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 109 GLN ** Q 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 129 GLN ** Q 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Q 287 HIS Q 414 GLN ** Q 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 49 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7711 moved from start: 0.9259 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.040 0.305 113878 Z= 2.443 Angle : 2.957 33.698 154904 Z= 1.440 Chirality : 0.118 0.584 19294 Planarity : 0.019 0.177 20033 Dihedral : 16.759 167.074 19408 Min Nonbonded Distance : 1.803 Molprobity Statistics. All-atom Clashscore : 89.43 Ramachandran Plot: Outliers : 3.20 % Allowed : 20.47 % Favored : 76.32 % Rotamer: Outliers : 27.79 % Allowed : 21.35 % Favored : 50.86 % Cbeta Deviations : 0.53 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.39 % Twisted Proline : 0.25 % Twisted General : 2.37 % 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: -6.16 (0.07), residues: 8464 helix: -4.02 (0.05), residues: 4864 sheet: -3.96 (0.18), residues: 528 loop : -3.88 (0.10), residues: 3072 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.063 0.010 TRP A 159 HIS 0.029 0.009 HIS E 440 PHE 0.083 0.011 PHE L 256 TYR 0.066 0.010 TYR M 462 ARG 0.026 0.004 ARG H 267 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 16928 Ramachandran restraints generated. 8464 Oldfield, 0 Emsley, 8464 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 16928 Ramachandran restraints generated. 8464 Oldfield, 0 Emsley, 8464 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3307 residues out of total 8256 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2223 poor density : 1084 time to evaluate : 7.451 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash 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 12 TYR cc_start: 0.9159 (OUTLIER) cc_final: 0.7709 (t80) REVERT: A 33 GLN cc_start: 0.8668 (OUTLIER) cc_final: 0.7949 (pt0) REVERT: A 75 LYS cc_start: 0.9276 (OUTLIER) cc_final: 0.9053 (mtmm) REVERT: A 76 PHE cc_start: 0.9393 (OUTLIER) cc_final: 0.9075 (t80) REVERT: A 81 LEU cc_start: 0.9610 (OUTLIER) cc_final: 0.9409 (mt) REVERT: A 90 SER cc_start: 0.9699 (OUTLIER) cc_final: 0.8801 (p) REVERT: A 101 MET cc_start: 0.8959 (OUTLIER) cc_final: 0.8160 (tpt) REVERT: A 127 ARG cc_start: 0.9175 (OUTLIER) cc_final: 0.8799 (mtm110) REVERT: A 157 LYS cc_start: 0.6138 (OUTLIER) cc_final: 0.3680 (mtmm) REVERT: A 175 ASP cc_start: 0.9161 (OUTLIER) cc_final: 0.8835 (t0) REVERT: A 210 ARG cc_start: 0.8442 (OUTLIER) cc_final: 0.8173 (tmm160) REVERT: A 217 ILE cc_start: 0.9306 (OUTLIER) cc_final: 0.8961 (tp) REVERT: A 227 GLU cc_start: 0.8919 (OUTLIER) cc_final: 0.8646 (tp30) REVERT: A 228 LEU cc_start: 0.9390 (OUTLIER) cc_final: 0.9177 (mt) REVERT: A 285 LEU cc_start: 0.9498 (OUTLIER) cc_final: 0.9288 (mm) REVERT: A 329 GLU cc_start: 0.7828 (tp30) cc_final: 0.7072 (mm-30) REVERT: A 338 TRP cc_start: 0.8580 (m100) cc_final: 0.8177 (m100) REVERT: A 462 TYR cc_start: 0.7238 (OUTLIER) cc_final: 0.6675 (m-10) REVERT: A 486 LEU cc_start: 0.5247 (OUTLIER) cc_final: 0.4899 (mt) REVERT: A 488 ARG cc_start: 0.4155 (OUTLIER) cc_final: 0.3736 (mtt-85) REVERT: A 567 MET cc_start: 0.2648 (OUTLIER) cc_final: 0.2291 (ppp) REVERT: C 12 TYR cc_start: 0.9069 (OUTLIER) cc_final: 0.8588 (t80) REVERT: C 24 VAL cc_start: 0.9420 (OUTLIER) cc_final: 0.9191 (t) REVERT: C 110 ARG cc_start: 0.9421 (OUTLIER) cc_final: 0.8468 (ttm-80) REVERT: C 146 ASN cc_start: 0.9275 (OUTLIER) cc_final: 0.9023 (p0) REVERT: C 199 LEU cc_start: 0.9701 (OUTLIER) cc_final: 0.9458 (tp) REVERT: C 217 ILE cc_start: 0.9320 (OUTLIER) cc_final: 0.9080 (tp) REVERT: C 249 ASN cc_start: 0.9076 (OUTLIER) cc_final: 0.8855 (p0) REVERT: C 329 GLU cc_start: 0.8048 (tp30) cc_final: 0.7361 (mm-30) REVERT: C 361 GLU cc_start: 0.7632 (OUTLIER) cc_final: 0.6992 (mp0) REVERT: C 429 LEU cc_start: 0.8930 (OUTLIER) cc_final: 0.8614 (tt) REVERT: C 448 ASN cc_start: 0.9003 (m110) cc_final: 0.8774 (m110) REVERT: C 462 TYR cc_start: 0.6441 (OUTLIER) cc_final: 0.5600 (m-10) REVERT: C 476 LYS cc_start: 0.7950 (tttt) cc_final: 0.7718 (tptt) REVERT: C 517 THR cc_start: 0.9180 (m) cc_final: 0.8868 (p) REVERT: D 12 TYR cc_start: 0.9159 (OUTLIER) cc_final: 0.7709 (t80) REVERT: D 33 GLN cc_start: 0.8666 (OUTLIER) cc_final: 0.7940 (pt0) REVERT: D 75 LYS cc_start: 0.9279 (OUTLIER) cc_final: 0.9059 (mtmm) REVERT: D 76 PHE cc_start: 0.9393 (OUTLIER) cc_final: 0.9068 (t80) REVERT: D 81 LEU cc_start: 0.9611 (OUTLIER) cc_final: 0.9408 (mt) REVERT: D 90 SER cc_start: 0.9700 (OUTLIER) cc_final: 0.8808 (p) REVERT: D 101 MET cc_start: 0.8961 (OUTLIER) cc_final: 0.8165 (tpt) REVERT: D 175 ASP cc_start: 0.9172 (OUTLIER) cc_final: 0.8839 (t0) REVERT: D 210 ARG cc_start: 0.8443 (OUTLIER) cc_final: 0.8175 (tmm160) REVERT: D 217 ILE cc_start: 0.9307 (OUTLIER) cc_final: 0.8958 (tp) REVERT: D 227 GLU cc_start: 0.8922 (OUTLIER) cc_final: 0.8651 (tp30) REVERT: D 228 LEU cc_start: 0.9388 (OUTLIER) cc_final: 0.9171 (mt) REVERT: D 329 GLU cc_start: 0.7810 (tp30) cc_final: 0.7104 (mm-30) REVERT: D 338 TRP cc_start: 0.8579 (m100) cc_final: 0.8181 (m100) REVERT: D 462 TYR cc_start: 0.7259 (OUTLIER) cc_final: 0.6687 (m-10) REVERT: D 486 LEU cc_start: 0.5268 (OUTLIER) cc_final: 0.4915 (mt) REVERT: D 488 ARG cc_start: 0.4148 (OUTLIER) cc_final: 0.3729 (mtt-85) REVERT: D 567 MET cc_start: 0.2731 (OUTLIER) cc_final: 0.2364 (ppp) REVERT: E 12 TYR cc_start: 0.9068 (OUTLIER) cc_final: 0.8588 (t80) REVERT: E 24 VAL cc_start: 0.9423 (OUTLIER) cc_final: 0.9191 (t) REVERT: E 33 GLN cc_start: 0.8794 (OUTLIER) cc_final: 0.7632 (pt0) REVERT: E 35 MET cc_start: 0.8004 (OUTLIER) cc_final: 0.7583 (pmm) REVERT: E 110 ARG cc_start: 0.9420 (OUTLIER) cc_final: 0.8472 (ttm-80) REVERT: E 146 ASN cc_start: 0.9278 (OUTLIER) cc_final: 0.9040 (p0) REVERT: E 199 LEU cc_start: 0.9701 (OUTLIER) cc_final: 0.9456 (tp) REVERT: E 217 ILE cc_start: 0.9319 (OUTLIER) cc_final: 0.9085 (tp) REVERT: E 249 ASN cc_start: 0.9076 (OUTLIER) cc_final: 0.8855 (p0) REVERT: E 329 GLU cc_start: 0.8047 (tp30) cc_final: 0.7360 (mm-30) REVERT: E 361 GLU cc_start: 0.7635 (OUTLIER) cc_final: 0.6986 (mp0) REVERT: E 429 LEU cc_start: 0.8932 (OUTLIER) cc_final: 0.8615 (tt) REVERT: E 448 ASN cc_start: 0.9000 (m110) cc_final: 0.8770 (m110) REVERT: E 462 TYR cc_start: 0.6434 (OUTLIER) cc_final: 0.5592 (m-10) REVERT: E 476 LYS cc_start: 0.7951 (tttt) cc_final: 0.7719 (tptt) REVERT: E 517 THR cc_start: 0.9181 (m) cc_final: 0.8867 (p) REVERT: F 12 TYR cc_start: 0.9162 (OUTLIER) cc_final: 0.7710 (t80) REVERT: F 33 GLN cc_start: 0.8663 (OUTLIER) cc_final: 0.7936 (pt0) REVERT: F 75 LYS cc_start: 0.9279 (OUTLIER) cc_final: 0.9065 (mtmm) REVERT: F 76 PHE cc_start: 0.9391 (OUTLIER) cc_final: 0.9067 (t80) REVERT: F 81 LEU cc_start: 0.9608 (OUTLIER) cc_final: 0.9405 (mt) REVERT: F 90 SER cc_start: 0.9701 (OUTLIER) cc_final: 0.8804 (p) REVERT: F 101 MET cc_start: 0.8960 (OUTLIER) cc_final: 0.8169 (tpt) REVERT: F 175 ASP cc_start: 0.9171 (OUTLIER) cc_final: 0.8837 (t0) REVERT: F 210 ARG cc_start: 0.8443 (OUTLIER) cc_final: 0.8175 (tmm160) REVERT: F 217 ILE cc_start: 0.9308 (OUTLIER) cc_final: 0.8960 (tp) REVERT: F 227 GLU cc_start: 0.8923 (OUTLIER) cc_final: 0.8652 (tp30) REVERT: F 228 LEU cc_start: 0.9387 (OUTLIER) cc_final: 0.9171 (mt) REVERT: F 329 GLU cc_start: 0.7818 (tp30) cc_final: 0.7113 (mm-30) REVERT: F 338 TRP cc_start: 0.8582 (m100) cc_final: 0.8203 (m100) REVERT: F 462 TYR cc_start: 0.7257 (OUTLIER) cc_final: 0.6685 (m-10) REVERT: F 486 LEU cc_start: 0.5257 (OUTLIER) cc_final: 0.4901 (mt) REVERT: F 488 ARG cc_start: 0.4149 (OUTLIER) cc_final: 0.3729 (mtt-85) REVERT: F 567 MET cc_start: 0.2731 (OUTLIER) cc_final: 0.2367 (ppp) REVERT: G 12 TYR cc_start: 0.9067 (OUTLIER) cc_final: 0.8588 (t80) REVERT: G 24 VAL cc_start: 0.9421 (OUTLIER) cc_final: 0.9192 (t) REVERT: G 33 GLN cc_start: 0.8796 (OUTLIER) cc_final: 0.7639 (pt0) REVERT: G 35 MET cc_start: 0.8003 (OUTLIER) cc_final: 0.7579 (pmm) REVERT: G 110 ARG cc_start: 0.9420 (OUTLIER) cc_final: 0.8474 (ttm-80) REVERT: G 146 ASN cc_start: 0.9275 (OUTLIER) cc_final: 0.9038 (p0) REVERT: G 199 LEU cc_start: 0.9705 (OUTLIER) cc_final: 0.9471 (tp) REVERT: G 217 ILE cc_start: 0.9323 (OUTLIER) cc_final: 0.9113 (tp) REVERT: G 249 ASN cc_start: 0.9076 (OUTLIER) cc_final: 0.8857 (p0) REVERT: G 329 GLU cc_start: 0.8048 (tp30) cc_final: 0.7363 (mm-30) REVERT: G 361 GLU cc_start: 0.7636 (OUTLIER) cc_final: 0.6990 (mp0) REVERT: G 429 LEU cc_start: 0.8929 (OUTLIER) cc_final: 0.8613 (tt) REVERT: G 448 ASN cc_start: 0.9000 (m110) cc_final: 0.8772 (m110) REVERT: G 462 TYR cc_start: 0.6425 (OUTLIER) cc_final: 0.5583 (m-10) REVERT: G 476 LYS cc_start: 0.7949 (tttt) cc_final: 0.7715 (tptt) REVERT: G 517 THR cc_start: 0.9182 (m) cc_final: 0.8866 (p) REVERT: H 12 TYR cc_start: 0.9158 (OUTLIER) cc_final: 0.7705 (t80) REVERT: H 33 GLN cc_start: 0.8666 (OUTLIER) cc_final: 0.7939 (pt0) REVERT: H 75 LYS cc_start: 0.9278 (OUTLIER) cc_final: 0.9062 (mtmm) REVERT: H 76 PHE cc_start: 0.9393 (OUTLIER) cc_final: 0.9002 (t80) REVERT: H 81 LEU cc_start: 0.9609 (OUTLIER) cc_final: 0.9405 (mt) REVERT: H 90 SER cc_start: 0.9701 (OUTLIER) cc_final: 0.8804 (p) REVERT: H 101 MET cc_start: 0.8962 (OUTLIER) cc_final: 0.8167 (tpt) REVERT: H 175 ASP cc_start: 0.9171 (OUTLIER) cc_final: 0.8838 (t0) REVERT: H 210 ARG cc_start: 0.8444 (OUTLIER) cc_final: 0.8171 (tmm160) REVERT: H 217 ILE cc_start: 0.9311 (OUTLIER) cc_final: 0.8964 (tp) REVERT: H 227 GLU cc_start: 0.8926 (OUTLIER) cc_final: 0.8657 (tp30) REVERT: H 228 LEU cc_start: 0.9389 (OUTLIER) cc_final: 0.9178 (mt) REVERT: H 329 GLU cc_start: 0.7813 (tp30) cc_final: 0.7107 (mm-30) REVERT: H 338 TRP cc_start: 0.8584 (m100) cc_final: 0.8204 (m100) REVERT: H 462 TYR cc_start: 0.7258 (OUTLIER) cc_final: 0.6684 (m-10) REVERT: H 486 LEU cc_start: 0.5257 (OUTLIER) cc_final: 0.4901 (mt) REVERT: H 488 ARG cc_start: 0.4150 (OUTLIER) cc_final: 0.3734 (mtt-85) REVERT: H 567 MET cc_start: 0.2677 (OUTLIER) cc_final: 0.2322 (ppp) REVERT: I 12 TYR cc_start: 0.9067 (OUTLIER) cc_final: 0.8587 (t80) REVERT: I 24 VAL cc_start: 0.9419 (OUTLIER) cc_final: 0.9191 (t) REVERT: I 33 GLN cc_start: 0.8797 (OUTLIER) cc_final: 0.7638 (pt0) REVERT: I 35 MET cc_start: 0.8003 (OUTLIER) cc_final: 0.7577 (pmm) REVERT: I 110 ARG cc_start: 0.9421 (OUTLIER) cc_final: 0.8468 (ttm-80) REVERT: I 146 ASN cc_start: 0.9273 (OUTLIER) cc_final: 0.9035 (p0) REVERT: I 199 LEU cc_start: 0.9704 (OUTLIER) cc_final: 0.9468 (tp) REVERT: I 217 ILE cc_start: 0.9324 (OUTLIER) cc_final: 0.9114 (tp) REVERT: I 249 ASN cc_start: 0.9076 (OUTLIER) cc_final: 0.8856 (p0) REVERT: I 329 GLU cc_start: 0.8049 (tp30) cc_final: 0.7362 (mm-30) REVERT: I 361 GLU cc_start: 0.7632 (OUTLIER) cc_final: 0.6988 (mp0) REVERT: I 429 LEU cc_start: 0.8929 (OUTLIER) cc_final: 0.8610 (tt) REVERT: I 448 ASN cc_start: 0.9002 (m110) cc_final: 0.8772 (m110) REVERT: I 462 TYR cc_start: 0.6440 (OUTLIER) cc_final: 0.5592 (m-10) REVERT: I 476 LYS cc_start: 0.7948 (tttt) cc_final: 0.7719 (tptt) REVERT: I 517 THR cc_start: 0.9180 (m) cc_final: 0.8865 (p) REVERT: J 12 TYR cc_start: 0.9162 (OUTLIER) cc_final: 0.7710 (t80) REVERT: J 33 GLN cc_start: 0.8666 (OUTLIER) cc_final: 0.7938 (pt0) REVERT: J 75 LYS cc_start: 0.9281 (OUTLIER) cc_final: 0.9057 (mtmm) REVERT: J 76 PHE cc_start: 0.9394 (OUTLIER) cc_final: 0.9011 (t80) REVERT: J 81 LEU cc_start: 0.9610 (OUTLIER) cc_final: 0.9407 (mt) REVERT: J 90 SER cc_start: 0.9700 (OUTLIER) cc_final: 0.8798 (p) REVERT: J 101 MET cc_start: 0.8962 (OUTLIER) cc_final: 0.8169 (tpt) REVERT: J 127 ARG cc_start: 0.9219 (OUTLIER) cc_final: 0.8827 (mtm110) REVERT: J 175 ASP cc_start: 0.9170 (OUTLIER) cc_final: 0.8838 (t0) REVERT: J 210 ARG cc_start: 0.8443 (OUTLIER) cc_final: 0.8172 (tmm160) REVERT: J 217 ILE cc_start: 0.9309 (OUTLIER) cc_final: 0.8958 (tp) REVERT: J 227 GLU cc_start: 0.8926 (OUTLIER) cc_final: 0.8659 (tp30) REVERT: J 228 LEU cc_start: 0.9388 (OUTLIER) cc_final: 0.9177 (mt) REVERT: J 285 LEU cc_start: 0.9494 (OUTLIER) cc_final: 0.9280 (mm) REVERT: J 329 GLU cc_start: 0.7812 (tp30) cc_final: 0.7141 (mm-30) REVERT: J 338 TRP cc_start: 0.8579 (m100) cc_final: 0.8179 (m100) REVERT: J 462 TYR cc_start: 0.7255 (OUTLIER) cc_final: 0.6657 (m-10) REVERT: J 486 LEU cc_start: 0.5262 (OUTLIER) cc_final: 0.4921 (mt) REVERT: J 488 ARG cc_start: 0.4151 (OUTLIER) cc_final: 0.3739 (mtt-85) REVERT: J 567 MET cc_start: 0.2677 (OUTLIER) cc_final: 0.2316 (ppp) REVERT: K 12 TYR cc_start: 0.9065 (OUTLIER) cc_final: 0.8590 (t80) REVERT: K 24 VAL cc_start: 0.9422 (OUTLIER) cc_final: 0.9218 (t) REVERT: K 33 GLN cc_start: 0.8793 (OUTLIER) cc_final: 0.7643 (pt0) REVERT: K 35 MET cc_start: 0.7989 (OUTLIER) cc_final: 0.7566 (pmm) REVERT: K 110 ARG cc_start: 0.9417 (OUTLIER) cc_final: 0.8466 (ttm-80) REVERT: K 146 ASN cc_start: 0.9269 (OUTLIER) cc_final: 0.9019 (p0) REVERT: K 199 LEU cc_start: 0.9702 (OUTLIER) cc_final: 0.9457 (tp) REVERT: K 217 ILE cc_start: 0.9319 (OUTLIER) cc_final: 0.9082 (tp) REVERT: K 249 ASN cc_start: 0.9078 (OUTLIER) cc_final: 0.8852 (p0) REVERT: K 329 GLU cc_start: 0.8052 (tp30) cc_final: 0.7369 (mm-30) REVERT: K 361 GLU cc_start: 0.7627 (OUTLIER) cc_final: 0.6995 (mp0) REVERT: K 429 LEU cc_start: 0.8930 (OUTLIER) cc_final: 0.8608 (tt) REVERT: K 448 ASN cc_start: 0.9001 (m110) cc_final: 0.8771 (m110) REVERT: K 462 TYR cc_start: 0.6438 (OUTLIER) cc_final: 0.5599 (m-10) REVERT: K 476 LYS cc_start: 0.7948 (tttt) cc_final: 0.7721 (tptt) REVERT: K 517 THR cc_start: 0.9181 (m) cc_final: 0.8864 (p) REVERT: L 12 TYR cc_start: 0.9160 (OUTLIER) cc_final: 0.7712 (t80) REVERT: L 33 GLN cc_start: 0.8664 (OUTLIER) cc_final: 0.7934 (pt0) REVERT: L 75 LYS cc_start: 0.9278 (OUTLIER) cc_final: 0.9055 (mtmm) REVERT: L 76 PHE cc_start: 0.9393 (OUTLIER) cc_final: 0.9007 (t80) REVERT: L 81 LEU cc_start: 0.9610 (OUTLIER) cc_final: 0.9406 (mt) REVERT: L 90 SER cc_start: 0.9700 (OUTLIER) cc_final: 0.8807 (p) REVERT: L 101 MET cc_start: 0.8964 (OUTLIER) cc_final: 0.8165 (tpt) REVERT: L 127 ARG cc_start: 0.9222 (OUTLIER) cc_final: 0.8831 (mtm110) REVERT: L 175 ASP cc_start: 0.9171 (OUTLIER) cc_final: 0.8840 (t0) REVERT: L 210 ARG cc_start: 0.8446 (OUTLIER) cc_final: 0.8175 (tmm160) REVERT: L 217 ILE cc_start: 0.9309 (OUTLIER) cc_final: 0.8960 (tp) REVERT: L 227 GLU cc_start: 0.8924 (OUTLIER) cc_final: 0.8655 (tp30) REVERT: L 228 LEU cc_start: 0.9389 (OUTLIER) cc_final: 0.9179 (mt) REVERT: L 285 LEU cc_start: 0.9485 (OUTLIER) cc_final: 0.9256 (mm) REVERT: L 329 GLU cc_start: 0.7812 (tp30) cc_final: 0.7073 (mm-30) REVERT: L 338 TRP cc_start: 0.8576 (m100) cc_final: 0.8174 (m100) REVERT: L 462 TYR cc_start: 0.7259 (OUTLIER) cc_final: 0.6681 (m-10) REVERT: L 486 LEU cc_start: 0.5257 (OUTLIER) cc_final: 0.4906 (mt) REVERT: L 488 ARG cc_start: 0.4152 (OUTLIER) cc_final: 0.3738 (mtt-85) REVERT: L 567 MET cc_start: 0.2682 (OUTLIER) cc_final: 0.2326 (ppp) REVERT: M 12 TYR cc_start: 0.9067 (OUTLIER) cc_final: 0.8589 (t80) REVERT: M 24 VAL cc_start: 0.9421 (OUTLIER) cc_final: 0.9217 (t) REVERT: M 33 GLN cc_start: 0.8797 (OUTLIER) cc_final: 0.7644 (pt0) REVERT: M 35 MET cc_start: 0.8000 (OUTLIER) cc_final: 0.7583 (pmm) REVERT: M 110 ARG cc_start: 0.9422 (OUTLIER) cc_final: 0.8477 (ttm-80) REVERT: M 146 ASN cc_start: 0.9272 (OUTLIER) cc_final: 0.9019 (p0) REVERT: M 199 LEU cc_start: 0.9704 (OUTLIER) cc_final: 0.9468 (tp) REVERT: M 217 ILE cc_start: 0.9325 (OUTLIER) cc_final: 0.9111 (tp) REVERT: M 249 ASN cc_start: 0.9083 (OUTLIER) cc_final: 0.8855 (p0) REVERT: M 329 GLU cc_start: 0.8049 (tp30) cc_final: 0.7361 (mm-30) REVERT: M 361 GLU cc_start: 0.7628 (OUTLIER) cc_final: 0.6990 (mp0) REVERT: M 429 LEU cc_start: 0.8922 (OUTLIER) cc_final: 0.8609 (tt) REVERT: M 448 ASN cc_start: 0.9000 (m110) cc_final: 0.8771 (m110) REVERT: M 462 TYR cc_start: 0.6445 (OUTLIER) cc_final: 0.5605 (m-10) REVERT: M 476 LYS cc_start: 0.7953 (tttt) cc_final: 0.7724 (tptt) REVERT: M 517 THR cc_start: 0.9180 (m) cc_final: 0.8862 (p) REVERT: N 12 TYR cc_start: 0.9162 (OUTLIER) cc_final: 0.7709 (t80) REVERT: N 33 GLN cc_start: 0.8662 (OUTLIER) cc_final: 0.7934 (pt0) REVERT: N 75 LYS cc_start: 0.9278 (OUTLIER) cc_final: 0.9061 (mtmm) REVERT: N 76 PHE cc_start: 0.9392 (OUTLIER) cc_final: 0.9005 (t80) REVERT: N 81 LEU cc_start: 0.9610 (OUTLIER) cc_final: 0.9408 (mt) REVERT: N 90 SER cc_start: 0.9701 (OUTLIER) cc_final: 0.8808 (p) REVERT: N 101 MET cc_start: 0.8963 (OUTLIER) cc_final: 0.8164 (tpt) REVERT: N 175 ASP cc_start: 0.9172 (OUTLIER) cc_final: 0.8836 (t0) REVERT: N 210 ARG cc_start: 0.8440 (OUTLIER) cc_final: 0.8171 (tmm160) REVERT: N 217 ILE cc_start: 0.9313 (OUTLIER) cc_final: 0.8966 (tp) REVERT: N 227 GLU cc_start: 0.8922 (OUTLIER) cc_final: 0.8653 (tp30) REVERT: N 228 LEU cc_start: 0.9387 (OUTLIER) cc_final: 0.9176 (mt) REVERT: N 329 GLU cc_start: 0.7808 (tp30) cc_final: 0.7071 (mm-30) REVERT: N 338 TRP cc_start: 0.8582 (m100) cc_final: 0.8200 (m100) REVERT: N 462 TYR cc_start: 0.7257 (OUTLIER) cc_final: 0.6681 (m-10) REVERT: N 486 LEU cc_start: 0.5256 (OUTLIER) cc_final: 0.4895 (mt) REVERT: N 488 ARG cc_start: 0.4151 (OUTLIER) cc_final: 0.3732 (mtt-85) REVERT: N 567 MET cc_start: 0.2680 (OUTLIER) cc_final: 0.2320 (ppp) REVERT: O 12 TYR cc_start: 0.9067 (OUTLIER) cc_final: 0.8594 (t80) REVERT: O 24 VAL cc_start: 0.9421 (OUTLIER) cc_final: 0.9217 (t) REVERT: O 33 GLN cc_start: 0.8796 (OUTLIER) cc_final: 0.7627 (pt0) REVERT: O 35 MET cc_start: 0.8004 (OUTLIER) cc_final: 0.7589 (pmm) REVERT: O 110 ARG cc_start: 0.9422 (OUTLIER) cc_final: 0.8477 (ttm-80) REVERT: O 146 ASN cc_start: 0.9275 (OUTLIER) cc_final: 0.9024 (p0) REVERT: O 199 LEU cc_start: 0.9704 (OUTLIER) cc_final: 0.9470 (tp) REVERT: O 217 ILE cc_start: 0.9326 (OUTLIER) cc_final: 0.9110 (tp) REVERT: O 249 ASN cc_start: 0.9080 (OUTLIER) cc_final: 0.8851 (p0) REVERT: O 329 GLU cc_start: 0.8048 (tp30) cc_final: 0.7363 (mm-30) REVERT: O 361 GLU cc_start: 0.7636 (OUTLIER) cc_final: 0.6996 (mp0) REVERT: O 429 LEU cc_start: 0.8925 (OUTLIER) cc_final: 0.8610 (tt) REVERT: O 448 ASN cc_start: 0.8999 (m110) cc_final: 0.8770 (m110) REVERT: O 462 TYR cc_start: 0.6439 (OUTLIER) cc_final: 0.5592 (m-10) REVERT: O 476 LYS cc_start: 0.7947 (tttt) cc_final: 0.7718 (tptt) REVERT: O 517 THR cc_start: 0.9183 (m) cc_final: 0.8870 (p) REVERT: P 12 TYR cc_start: 0.9160 (OUTLIER) cc_final: 0.7710 (t80) REVERT: P 33 GLN cc_start: 0.8665 (OUTLIER) cc_final: 0.7940 (pt0) REVERT: P 75 LYS cc_start: 0.9277 (OUTLIER) cc_final: 0.9057 (mtmm) REVERT: P 76 PHE cc_start: 0.9393 (OUTLIER) cc_final: 0.9073 (t80) REVERT: P 81 LEU cc_start: 0.9610 (OUTLIER) cc_final: 0.9408 (mt) REVERT: P 90 SER cc_start: 0.9701 (OUTLIER) cc_final: 0.8811 (p) REVERT: P 101 MET cc_start: 0.8961 (OUTLIER) cc_final: 0.8166 (tpt) REVERT: P 175 ASP cc_start: 0.9173 (OUTLIER) cc_final: 0.8839 (t0) REVERT: P 210 ARG cc_start: 0.8445 (OUTLIER) cc_final: 0.8172 (tmm160) REVERT: P 217 ILE cc_start: 0.9308 (OUTLIER) cc_final: 0.8957 (tp) REVERT: P 227 GLU cc_start: 0.8922 (OUTLIER) cc_final: 0.8652 (tp30) REVERT: P 228 LEU cc_start: 0.9391 (OUTLIER) cc_final: 0.9178 (mt) REVERT: P 329 GLU cc_start: 0.7814 (tp30) cc_final: 0.7139 (mm-30) REVERT: P 338 TRP cc_start: 0.8583 (m100) cc_final: 0.8200 (m100) REVERT: P 462 TYR cc_start: 0.7255 (OUTLIER) cc_final: 0.6674 (m-10) REVERT: P 486 LEU cc_start: 0.5258 (OUTLIER) cc_final: 0.4903 (mt) REVERT: P 488 ARG cc_start: 0.4154 (OUTLIER) cc_final: 0.3734 (mtt-85) REVERT: P 567 MET cc_start: 0.2730 (OUTLIER) cc_final: 0.2361 (ppp) REVERT: Q 12 TYR cc_start: 0.9069 (OUTLIER) cc_final: 0.8592 (t80) REVERT: Q 24 VAL cc_start: 0.9421 (OUTLIER) cc_final: 0.9214 (t) REVERT: Q 33 GLN cc_start: 0.8795 (OUTLIER) cc_final: 0.7626 (pt0) REVERT: Q 35 MET cc_start: 0.8002 (OUTLIER) cc_final: 0.7585 (pmm) REVERT: Q 110 ARG cc_start: 0.9419 (OUTLIER) cc_final: 0.8471 (ttm-80) REVERT: Q 146 ASN cc_start: 0.9273 (OUTLIER) cc_final: 0.9035 (p0) REVERT: Q 199 LEU cc_start: 0.9703 (OUTLIER) cc_final: 0.9471 (tp) REVERT: Q 217 ILE cc_start: 0.9323 (OUTLIER) cc_final: 0.9107 (tp) REVERT: Q 249 ASN cc_start: 0.9069 (OUTLIER) cc_final: 0.8856 (p0) REVERT: Q 329 GLU cc_start: 0.8046 (tp30) cc_final: 0.7359 (mm-30) REVERT: Q 361 GLU cc_start: 0.7629 (OUTLIER) cc_final: 0.6987 (mp0) REVERT: Q 429 LEU cc_start: 0.8925 (OUTLIER) cc_final: 0.8606 (tt) REVERT: Q 448 ASN cc_start: 0.9008 (m110) cc_final: 0.8779 (m110) REVERT: Q 462 TYR cc_start: 0.6448 (OUTLIER) cc_final: 0.5604 (m-10) REVERT: Q 476 LYS cc_start: 0.7941 (tttt) cc_final: 0.7701 (tptt) REVERT: Q 517 THR cc_start: 0.9181 (m) cc_final: 0.8866 (p) outliers start: 2223 outliers final: 1219 residues processed: 3033 average time/residue: 0.8680 time to fit residues: 4687.0242 Evaluate side-chains 2377 residues out of total 8256 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1448 poor density : 929 time to evaluate : 7.419 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 12 TYR Chi-restraints excluded: chain A residue 13 LYS Chi-restraints excluded: chain A residue 19 PHE Chi-restraints excluded: chain A residue 25 ASP Chi-restraints excluded: chain A residue 33 GLN Chi-restraints excluded: chain A residue 34 ASP Chi-restraints excluded: chain A residue 38 SER Chi-restraints excluded: chain A residue 39 ILE Chi-restraints excluded: chain A residue 41 SER Chi-restraints excluded: chain A residue 44 GLU Chi-restraints excluded: chain A residue 46 ASP Chi-restraints excluded: chain A residue 51 SER Chi-restraints excluded: chain A residue 58 THR Chi-restraints excluded: chain A residue 75 LYS Chi-restraints excluded: chain A residue 76 PHE Chi-restraints excluded: chain A residue 77 VAL Chi-restraints excluded: chain A residue 81 LEU Chi-restraints excluded: chain A residue 82 ARG Chi-restraints excluded: chain A residue 87 PHE Chi-restraints excluded: chain A residue 90 SER Chi-restraints excluded: chain A residue 101 MET Chi-restraints excluded: chain A residue 118 GLN Chi-restraints excluded: chain A residue 127 ARG Chi-restraints excluded: chain A residue 131 TYR Chi-restraints excluded: chain A residue 135 ARG Chi-restraints excluded: chain A residue 141 LEU Chi-restraints excluded: chain A residue 157 LYS Chi-restraints excluded: chain A residue 158 THR Chi-restraints excluded: chain A residue 162 LEU Chi-restraints excluded: chain A residue 171 GLN Chi-restraints excluded: chain A residue 175 ASP Chi-restraints excluded: chain A residue 179 PHE Chi-restraints excluded: chain A residue 187 ASN Chi-restraints excluded: chain A residue 188 SER Chi-restraints excluded: chain A residue 203 ILE Chi-restraints excluded: chain A residue 208 THR Chi-restraints excluded: chain A residue 210 ARG Chi-restraints excluded: chain A residue 211 SER Chi-restraints excluded: chain A residue 217 ILE Chi-restraints excluded: chain A residue 218 LYS Chi-restraints excluded: chain A residue 219 LEU Chi-restraints excluded: chain A residue 221 ILE Chi-restraints excluded: chain A residue 227 GLU Chi-restraints excluded: chain A residue 228 LEU Chi-restraints excluded: chain A residue 234 SER Chi-restraints excluded: chain A residue 239 ASN Chi-restraints excluded: chain A residue 242 LEU Chi-restraints excluded: chain A residue 249 ASN Chi-restraints excluded: chain A residue 254 ASN Chi-restraints excluded: chain A residue 260 CYS Chi-restraints excluded: chain A residue 263 LEU Chi-restraints excluded: chain A residue 271 VAL Chi-restraints excluded: chain A residue 273 ASP Chi-restraints excluded: chain A residue 279 THR Chi-restraints excluded: chain A residue 280 THR Chi-restraints excluded: chain A residue 281 THR Chi-restraints excluded: chain A residue 285 LEU Chi-restraints excluded: chain A residue 292 LEU Chi-restraints excluded: chain A residue 293 THR Chi-restraints excluded: chain A residue 297 VAL Chi-restraints excluded: chain A residue 307 CYS Chi-restraints excluded: chain A residue 330 SER Chi-restraints excluded: chain A residue 333 ASP Chi-restraints excluded: chain A residue 339 ASP Chi-restraints excluded: chain A residue 352 ILE Chi-restraints excluded: chain A residue 353 ILE Chi-restraints excluded: chain A residue 355 SER Chi-restraints excluded: chain A residue 356 SER Chi-restraints excluded: chain A residue 359 VAL Chi-restraints excluded: chain A residue 370 ASP Chi-restraints excluded: chain A residue 381 ILE Chi-restraints excluded: chain A residue 383 THR Chi-restraints excluded: chain A residue 384 ILE Chi-restraints excluded: chain A residue 387 SER Chi-restraints excluded: chain A residue 398 VAL Chi-restraints excluded: chain A residue 400 VAL Chi-restraints excluded: chain A residue 402 VAL Chi-restraints excluded: chain A residue 406 HIS Chi-restraints excluded: chain A residue 418 SER Chi-restraints excluded: chain A residue 425 ILE Chi-restraints excluded: chain A residue 430 LYS Chi-restraints excluded: chain A residue 431 VAL Chi-restraints excluded: chain A residue 443 ILE Chi-restraints excluded: chain A residue 452 THR Chi-restraints excluded: chain A residue 462 TYR Chi-restraints excluded: chain A residue 479 GLU Chi-restraints excluded: chain A residue 486 LEU Chi-restraints excluded: chain A residue 488 ARG Chi-restraints excluded: chain A residue 501 ILE Chi-restraints excluded: chain A residue 528 ILE Chi-restraints excluded: chain A residue 532 ASP Chi-restraints excluded: chain A residue 536 GLU Chi-restraints excluded: chain A residue 539 VAL Chi-restraints excluded: chain A residue 549 ILE Chi-restraints excluded: chain A residue 567 MET Chi-restraints excluded: chain A residue 576 GLU Chi-restraints excluded: chain C residue 11 GLN Chi-restraints excluded: chain C residue 12 TYR Chi-restraints excluded: chain C residue 13 LYS Chi-restraints excluded: chain C residue 19 PHE Chi-restraints excluded: chain C residue 24 VAL Chi-restraints excluded: chain C residue 25 ASP Chi-restraints excluded: chain C residue 26 ASN Chi-restraints excluded: chain C residue 39 ILE Chi-restraints excluded: chain C residue 41 SER Chi-restraints excluded: chain C residue 44 GLU Chi-restraints excluded: chain C residue 45 ILE Chi-restraints excluded: chain C residue 51 SER Chi-restraints excluded: chain C residue 58 THR Chi-restraints excluded: chain C residue 66 LEU Chi-restraints excluded: chain C residue 70 GLU Chi-restraints excluded: chain C residue 77 VAL Chi-restraints excluded: chain C residue 82 ARG Chi-restraints excluded: chain C residue 94 THR Chi-restraints excluded: chain C residue 103 THR Chi-restraints excluded: chain C residue 107 ILE Chi-restraints excluded: chain C residue 110 ARG Chi-restraints excluded: chain C residue 127 ARG Chi-restraints excluded: chain C residue 131 TYR Chi-restraints excluded: chain C residue 139 LEU Chi-restraints excluded: chain C residue 141 LEU Chi-restraints excluded: chain C residue 146 ASN Chi-restraints excluded: chain C residue 153 LEU Chi-restraints excluded: chain C residue 157 LYS Chi-restraints excluded: chain C residue 158 THR Chi-restraints excluded: chain C residue 186 CYS Chi-restraints excluded: chain C residue 191 THR Chi-restraints excluded: chain C residue 199 LEU Chi-restraints excluded: chain C residue 208 THR Chi-restraints excluded: chain C residue 210 ARG Chi-restraints excluded: chain C residue 217 ILE Chi-restraints excluded: chain C residue 219 LEU Chi-restraints excluded: chain C residue 221 ILE Chi-restraints excluded: chain C residue 231 LEU Chi-restraints excluded: chain C residue 234 SER Chi-restraints excluded: chain C residue 235 LYS Chi-restraints excluded: chain C residue 239 ASN Chi-restraints excluded: chain C residue 241 LEU Chi-restraints excluded: chain C residue 242 LEU Chi-restraints excluded: chain C residue 246 ASN Chi-restraints excluded: chain C residue 249 ASN Chi-restraints excluded: chain C residue 262 ILE Chi-restraints excluded: chain C residue 273 ASP Chi-restraints excluded: chain C residue 279 THR Chi-restraints excluded: chain C residue 280 THR Chi-restraints excluded: chain C residue 281 THR Chi-restraints excluded: chain C residue 285 LEU Chi-restraints excluded: chain C residue 292 LEU Chi-restraints excluded: chain C residue 293 THR Chi-restraints excluded: chain C residue 307 CYS Chi-restraints excluded: chain C residue 321 PRO Chi-restraints excluded: chain C residue 323 ARG Chi-restraints excluded: chain C residue 330 SER Chi-restraints excluded: chain C residue 333 ASP Chi-restraints excluded: chain C residue 350 THR Chi-restraints excluded: chain C residue 352 ILE Chi-restraints excluded: chain C residue 353 ILE Chi-restraints excluded: chain C residue 356 SER Chi-restraints excluded: chain C residue 359 VAL Chi-restraints excluded: chain C residue 361 GLU Chi-restraints excluded: chain C residue 370 ASP Chi-restraints excluded: chain C residue 383 THR Chi-restraints excluded: chain C residue 387 SER Chi-restraints excluded: chain C residue 398 VAL Chi-restraints excluded: chain C residue 400 VAL Chi-restraints excluded: chain C residue 406 HIS Chi-restraints excluded: chain C residue 409 SER Chi-restraints excluded: chain C residue 425 ILE Chi-restraints excluded: chain C residue 429 LEU Chi-restraints excluded: chain C residue 431 VAL Chi-restraints excluded: chain C residue 443 ILE Chi-restraints excluded: chain C residue 452 THR Chi-restraints excluded: chain C residue 462 TYR Chi-restraints excluded: chain C residue 479 GLU Chi-restraints excluded: chain C residue 501 ILE Chi-restraints excluded: chain C residue 528 ILE Chi-restraints excluded: chain C residue 536 GLU Chi-restraints excluded: chain C residue 539 VAL Chi-restraints excluded: chain C residue 544 ASP Chi-restraints excluded: chain C residue 549 ILE Chi-restraints excluded: chain D residue 12 TYR Chi-restraints excluded: chain D residue 13 LYS Chi-restraints excluded: chain D residue 19 PHE Chi-restraints excluded: chain D residue 25 ASP Chi-restraints excluded: chain D residue 33 GLN Chi-restraints excluded: chain D residue 34 ASP Chi-restraints excluded: chain D residue 38 SER Chi-restraints excluded: chain D residue 39 ILE Chi-restraints excluded: chain D residue 41 SER Chi-restraints excluded: chain D residue 44 GLU Chi-restraints excluded: chain D residue 46 ASP Chi-restraints excluded: chain D residue 51 SER Chi-restraints excluded: chain D residue 58 THR Chi-restraints excluded: chain D residue 75 LYS Chi-restraints excluded: chain D residue 76 PHE Chi-restraints excluded: chain D residue 77 VAL Chi-restraints excluded: chain D residue 81 LEU Chi-restraints excluded: chain D residue 82 ARG Chi-restraints excluded: chain D residue 87 PHE Chi-restraints excluded: chain D residue 90 SER Chi-restraints excluded: chain D residue 101 MET Chi-restraints excluded: chain D residue 118 GLN Chi-restraints excluded: chain D residue 131 TYR Chi-restraints excluded: chain D residue 135 ARG Chi-restraints excluded: chain D residue 141 LEU Chi-restraints excluded: chain D residue 157 LYS Chi-restraints excluded: chain D residue 158 THR Chi-restraints excluded: chain D residue 162 LEU Chi-restraints excluded: chain D residue 171 GLN Chi-restraints excluded: chain D residue 175 ASP Chi-restraints excluded: chain D residue 179 PHE Chi-restraints excluded: chain D residue 187 ASN Chi-restraints excluded: chain D residue 188 SER Chi-restraints excluded: chain D residue 203 ILE Chi-restraints excluded: chain D residue 208 THR Chi-restraints excluded: chain D residue 210 ARG Chi-restraints excluded: chain D residue 211 SER Chi-restraints excluded: chain D residue 217 ILE Chi-restraints excluded: chain D residue 218 LYS Chi-restraints excluded: chain D residue 219 LEU Chi-restraints excluded: chain D residue 221 ILE Chi-restraints excluded: chain D residue 227 GLU Chi-restraints excluded: chain D residue 228 LEU Chi-restraints excluded: chain D residue 234 SER Chi-restraints excluded: chain D residue 239 ASN Chi-restraints excluded: chain D residue 242 LEU Chi-restraints excluded: chain D residue 249 ASN Chi-restraints excluded: chain D residue 254 ASN Chi-restraints excluded: chain D residue 263 LEU Chi-restraints excluded: chain D residue 271 VAL Chi-restraints excluded: chain D residue 273 ASP Chi-restraints excluded: chain D residue 279 THR Chi-restraints excluded: chain D residue 280 THR Chi-restraints excluded: chain D residue 281 THR Chi-restraints excluded: chain D residue 292 LEU Chi-restraints excluded: chain D residue 293 THR Chi-restraints excluded: chain D residue 297 VAL Chi-restraints excluded: chain D residue 307 CYS Chi-restraints excluded: chain D residue 330 SER Chi-restraints excluded: chain D residue 333 ASP Chi-restraints excluded: chain D residue 339 ASP Chi-restraints excluded: chain D residue 352 ILE Chi-restraints excluded: chain D residue 353 ILE Chi-restraints excluded: chain D residue 355 SER Chi-restraints excluded: chain D residue 356 SER Chi-restraints excluded: chain D residue 359 VAL Chi-restraints excluded: chain D residue 370 ASP Chi-restraints excluded: chain D residue 381 ILE Chi-restraints excluded: chain D residue 383 THR Chi-restraints excluded: chain D residue 384 ILE Chi-restraints excluded: chain D residue 387 SER Chi-restraints excluded: chain D residue 398 VAL Chi-restraints excluded: chain D residue 400 VAL Chi-restraints excluded: chain D residue 402 VAL Chi-restraints excluded: chain D residue 406 HIS Chi-restraints excluded: chain D residue 418 SER Chi-restraints excluded: chain D residue 425 ILE Chi-restraints excluded: chain D residue 430 LYS Chi-restraints excluded: chain D residue 431 VAL Chi-restraints excluded: chain D residue 443 ILE Chi-restraints excluded: chain D residue 452 THR Chi-restraints excluded: chain D residue 462 TYR Chi-restraints excluded: chain D residue 479 GLU Chi-restraints excluded: chain D residue 486 LEU Chi-restraints excluded: chain D residue 488 ARG Chi-restraints excluded: chain D residue 501 ILE Chi-restraints excluded: chain D residue 528 ILE Chi-restraints excluded: chain D residue 532 ASP Chi-restraints excluded: chain D residue 536 GLU Chi-restraints excluded: chain D residue 539 VAL Chi-restraints excluded: chain D residue 549 ILE Chi-restraints excluded: chain D residue 567 MET Chi-restraints excluded: chain D residue 576 GLU Chi-restraints excluded: chain E residue 11 GLN Chi-restraints excluded: chain E residue 12 TYR Chi-restraints excluded: chain E residue 13 LYS Chi-restraints excluded: chain E residue 19 PHE Chi-restraints excluded: chain E residue 24 VAL Chi-restraints excluded: chain E residue 25 ASP Chi-restraints excluded: chain E residue 26 ASN Chi-restraints excluded: chain E residue 33 GLN Chi-restraints excluded: chain E residue 34 ASP Chi-restraints excluded: chain E residue 35 MET Chi-restraints excluded: chain E residue 39 ILE Chi-restraints excluded: chain E residue 41 SER Chi-restraints excluded: chain E residue 44 GLU Chi-restraints excluded: chain E residue 45 ILE Chi-restraints excluded: chain E residue 51 SER Chi-restraints excluded: chain E residue 58 THR Chi-restraints excluded: chain E residue 66 LEU Chi-restraints excluded: chain E residue 70 GLU Chi-restraints excluded: chain E residue 77 VAL Chi-restraints excluded: chain E residue 82 ARG Chi-restraints excluded: chain E residue 94 THR Chi-restraints excluded: chain E residue 103 THR Chi-restraints excluded: chain E residue 107 ILE Chi-restraints excluded: chain E residue 110 ARG Chi-restraints excluded: chain E residue 127 ARG Chi-restraints excluded: chain E residue 131 TYR Chi-restraints excluded: chain E residue 139 LEU Chi-restraints excluded: chain E residue 141 LEU Chi-restraints excluded: chain E residue 146 ASN Chi-restraints excluded: chain E residue 153 LEU Chi-restraints excluded: chain E residue 157 LYS Chi-restraints excluded: chain E residue 158 THR Chi-restraints excluded: chain E residue 186 CYS Chi-restraints excluded: chain E residue 191 THR Chi-restraints excluded: chain E residue 199 LEU Chi-restraints excluded: chain E residue 208 THR Chi-restraints excluded: chain E residue 210 ARG Chi-restraints excluded: chain E residue 217 ILE Chi-restraints excluded: chain E residue 219 LEU Chi-restraints excluded: chain E residue 221 ILE Chi-restraints excluded: chain E residue 231 LEU Chi-restraints excluded: chain E residue 234 SER Chi-restraints excluded: chain E residue 235 LYS Chi-restraints excluded: chain E residue 239 ASN Chi-restraints excluded: chain E residue 241 LEU Chi-restraints excluded: chain E residue 242 LEU Chi-restraints excluded: chain E residue 246 ASN Chi-restraints excluded: chain E residue 249 ASN Chi-restraints excluded: chain E residue 262 ILE Chi-restraints excluded: chain E residue 273 ASP Chi-restraints excluded: chain E residue 279 THR Chi-restraints excluded: chain E residue 280 THR Chi-restraints excluded: chain E residue 281 THR Chi-restraints excluded: chain E residue 285 LEU Chi-restraints excluded: chain E residue 292 LEU Chi-restraints excluded: chain E residue 293 THR Chi-restraints excluded: chain E residue 307 CYS Chi-restraints excluded: chain E residue 321 PRO Chi-restraints excluded: chain E residue 323 ARG Chi-restraints excluded: chain E residue 330 SER Chi-restraints excluded: chain E residue 333 ASP Chi-restraints excluded: chain E residue 350 THR Chi-restraints excluded: chain E residue 352 ILE Chi-restraints excluded: chain E residue 353 ILE Chi-restraints excluded: chain E residue 356 SER Chi-restraints excluded: chain E residue 359 VAL Chi-restraints excluded: chain E residue 361 GLU Chi-restraints excluded: chain E residue 370 ASP Chi-restraints excluded: chain E residue 383 THR Chi-restraints excluded: chain E residue 387 SER Chi-restraints excluded: chain E residue 398 VAL Chi-restraints excluded: chain E residue 400 VAL Chi-restraints excluded: chain E residue 406 HIS Chi-restraints excluded: chain E residue 409 SER Chi-restraints excluded: chain E residue 425 ILE Chi-restraints excluded: chain E residue 429 LEU Chi-restraints excluded: chain E residue 431 VAL Chi-restraints excluded: chain E residue 443 ILE Chi-restraints excluded: chain E residue 452 THR Chi-restraints excluded: chain E residue 462 TYR Chi-restraints excluded: chain E residue 479 GLU Chi-restraints excluded: chain E residue 501 ILE Chi-restraints excluded: chain E residue 528 ILE Chi-restraints excluded: chain E residue 536 GLU Chi-restraints excluded: chain E residue 539 VAL Chi-restraints excluded: chain E residue 544 ASP Chi-restraints excluded: chain E residue 549 ILE Chi-restraints excluded: chain F residue 12 TYR Chi-restraints excluded: chain F residue 13 LYS Chi-restraints excluded: chain F residue 19 PHE Chi-restraints excluded: chain F residue 25 ASP Chi-restraints excluded: chain F residue 33 GLN Chi-restraints excluded: chain F residue 34 ASP Chi-restraints excluded: chain F residue 38 SER Chi-restraints excluded: chain F residue 39 ILE Chi-restraints excluded: chain F residue 41 SER Chi-restraints excluded: chain F residue 44 GLU Chi-restraints excluded: chain F residue 46 ASP Chi-restraints excluded: chain F residue 51 SER Chi-restraints excluded: chain F residue 58 THR Chi-restraints excluded: chain F residue 75 LYS Chi-restraints excluded: chain F residue 76 PHE Chi-restraints excluded: chain F residue 77 VAL Chi-restraints excluded: chain F residue 81 LEU Chi-restraints excluded: chain F residue 82 ARG Chi-restraints excluded: chain F residue 87 PHE Chi-restraints excluded: chain F residue 90 SER Chi-restraints excluded: chain F residue 101 MET Chi-restraints excluded: chain F residue 118 GLN Chi-restraints excluded: chain F residue 131 TYR Chi-restraints excluded: chain F residue 135 ARG Chi-restraints excluded: chain F residue 141 LEU Chi-restraints excluded: chain F residue 157 LYS Chi-restraints excluded: chain F residue 158 THR Chi-restraints excluded: chain F residue 162 LEU Chi-restraints excluded: chain F residue 171 GLN Chi-restraints excluded: chain F residue 175 ASP Chi-restraints excluded: chain F residue 179 PHE Chi-restraints excluded: chain F residue 187 ASN Chi-restraints excluded: chain F residue 188 SER Chi-restraints excluded: chain F residue 203 ILE Chi-restraints excluded: chain F residue 208 THR Chi-restraints excluded: chain F residue 210 ARG Chi-restraints excluded: chain F residue 211 SER Chi-restraints excluded: chain F residue 217 ILE Chi-restraints excluded: chain F residue 218 LYS Chi-restraints excluded: chain F residue 219 LEU Chi-restraints excluded: chain F residue 221 ILE Chi-restraints excluded: chain F residue 227 GLU Chi-restraints excluded: chain F residue 228 LEU Chi-restraints excluded: chain F residue 234 SER Chi-restraints excluded: chain F residue 239 ASN Chi-restraints excluded: chain F residue 242 LEU Chi-restraints excluded: chain F residue 249 ASN Chi-restraints excluded: chain F residue 254 ASN Chi-restraints excluded: chain F residue 263 LEU Chi-restraints excluded: chain F residue 271 VAL Chi-restraints excluded: chain F residue 273 ASP Chi-restraints excluded: chain F residue 279 THR Chi-restraints excluded: chain F residue 280 THR Chi-restraints excluded: chain F residue 281 THR Chi-restraints excluded: chain F residue 292 LEU Chi-restraints excluded: chain F residue 293 THR Chi-restraints excluded: chain F residue 297 VAL Chi-restraints excluded: chain F residue 307 CYS Chi-restraints excluded: chain F residue 330 SER Chi-restraints excluded: chain F residue 333 ASP Chi-restraints excluded: chain F residue 339 ASP Chi-restraints excluded: chain F residue 352 ILE Chi-restraints excluded: chain F residue 353 ILE Chi-restraints excluded: chain F residue 355 SER Chi-restraints excluded: chain F residue 356 SER Chi-restraints excluded: chain F residue 359 VAL Chi-restraints excluded: chain F residue 370 ASP Chi-restraints excluded: chain F residue 381 ILE Chi-restraints excluded: chain F residue 383 THR Chi-restraints excluded: chain F residue 384 ILE Chi-restraints excluded: chain F residue 387 SER Chi-restraints excluded: chain F residue 398 VAL Chi-restraints excluded: chain F residue 400 VAL Chi-restraints excluded: chain F residue 402 VAL Chi-restraints excluded: chain F residue 406 HIS Chi-restraints excluded: chain F residue 418 SER Chi-restraints excluded: chain F residue 425 ILE Chi-restraints excluded: chain F residue 430 LYS Chi-restraints excluded: chain F residue 431 VAL Chi-restraints excluded: chain F residue 443 ILE Chi-restraints excluded: chain F residue 452 THR Chi-restraints excluded: chain F residue 462 TYR Chi-restraints excluded: chain F residue 479 GLU Chi-restraints excluded: chain F residue 486 LEU Chi-restraints excluded: chain F residue 488 ARG Chi-restraints excluded: chain F residue 501 ILE Chi-restraints excluded: chain F residue 528 ILE Chi-restraints excluded: chain F residue 532 ASP Chi-restraints excluded: chain F residue 536 GLU Chi-restraints excluded: chain F residue 539 VAL Chi-restraints excluded: chain F residue 549 ILE Chi-restraints excluded: chain F residue 567 MET Chi-restraints excluded: chain F residue 576 GLU Chi-restraints excluded: chain G residue 11 GLN Chi-restraints excluded: chain G residue 12 TYR Chi-restraints excluded: chain G residue 13 LYS Chi-restraints excluded: chain G residue 19 PHE Chi-restraints excluded: chain G residue 24 VAL Chi-restraints excluded: chain G residue 25 ASP Chi-restraints excluded: chain G residue 26 ASN Chi-restraints excluded: chain G residue 33 GLN Chi-restraints excluded: chain G residue 34 ASP Chi-restraints excluded: chain G residue 35 MET Chi-restraints excluded: chain G residue 39 ILE Chi-restraints excluded: chain G residue 41 SER Chi-restraints excluded: chain G residue 44 GLU Chi-restraints excluded: chain G residue 45 ILE Chi-restraints excluded: chain G residue 51 SER Chi-restraints excluded: chain G residue 58 THR Chi-restraints excluded: chain G residue 66 LEU Chi-restraints excluded: chain G residue 70 GLU Chi-restraints excluded: chain G residue 77 VAL Chi-restraints excluded: chain G residue 82 ARG Chi-restraints excluded: chain G residue 94 THR Chi-restraints excluded: chain G residue 103 THR Chi-restraints excluded: chain G residue 107 ILE Chi-restraints excluded: chain G residue 110 ARG Chi-restraints excluded: chain G residue 127 ARG Chi-restraints excluded: chain G residue 131 TYR Chi-restraints excluded: chain G residue 139 LEU Chi-restraints excluded: chain G residue 141 LEU Chi-restraints excluded: chain G residue 146 ASN Chi-restraints excluded: chain G residue 153 LEU Chi-restraints excluded: chain G residue 157 LYS Chi-restraints excluded: chain G residue 158 THR Chi-restraints excluded: chain G residue 186 CYS Chi-restraints excluded: chain G residue 191 THR Chi-restraints excluded: chain G residue 199 LEU Chi-restraints excluded: chain G residue 208 THR Chi-restraints excluded: chain G residue 210 ARG Chi-restraints excluded: chain G residue 217 ILE Chi-restraints excluded: chain G residue 219 LEU Chi-restraints excluded: chain G residue 221 ILE Chi-restraints excluded: chain G residue 231 LEU Chi-restraints excluded: chain G residue 234 SER Chi-restraints excluded: chain G residue 235 LYS Chi-restraints excluded: chain G residue 239 ASN Chi-restraints excluded: chain G residue 241 LEU Chi-restraints excluded: chain G residue 242 LEU Chi-restraints excluded: chain G residue 246 ASN Chi-restraints excluded: chain G residue 249 ASN Chi-restraints excluded: chain G residue 262 ILE Chi-restraints excluded: chain G residue 273 ASP Chi-restraints excluded: chain G residue 279 THR Chi-restraints excluded: chain G residue 280 THR Chi-restraints excluded: chain G residue 281 THR Chi-restraints excluded: chain G residue 285 LEU Chi-restraints excluded: chain G residue 292 LEU Chi-restraints excluded: chain G residue 293 THR Chi-restraints excluded: chain G residue 307 CYS Chi-restraints excluded: chain G residue 321 PRO Chi-restraints excluded: chain G residue 323 ARG Chi-restraints excluded: chain G residue 330 SER Chi-restraints excluded: chain G residue 333 ASP Chi-restraints excluded: chain G residue 350 THR Chi-restraints excluded: chain G residue 352 ILE Chi-restraints excluded: chain G residue 353 ILE Chi-restraints excluded: chain G residue 356 SER Chi-restraints excluded: chain G residue 359 VAL Chi-restraints excluded: chain G residue 361 GLU Chi-restraints excluded: chain G residue 370 ASP Chi-restraints excluded: chain G residue 383 THR Chi-restraints excluded: chain G residue 387 SER Chi-restraints excluded: chain G residue 398 VAL Chi-restraints excluded: chain G residue 400 VAL Chi-restraints excluded: chain G residue 406 HIS Chi-restraints excluded: chain G residue 409 SER Chi-restraints excluded: chain G residue 425 ILE Chi-restraints excluded: chain G residue 429 LEU Chi-restraints excluded: chain G residue 431 VAL Chi-restraints excluded: chain G residue 443 ILE Chi-restraints excluded: chain G residue 452 THR Chi-restraints excluded: chain G residue 462 TYR Chi-restraints excluded: chain G residue 479 GLU Chi-restraints excluded: chain G residue 501 ILE Chi-restraints excluded: chain G residue 528 ILE Chi-restraints excluded: chain G residue 536 GLU Chi-restraints excluded: chain G residue 539 VAL Chi-restraints excluded: chain G residue 544 ASP Chi-restraints excluded: chain G residue 549 ILE Chi-restraints excluded: chain H residue 12 TYR Chi-restraints excluded: chain H residue 13 LYS Chi-restraints excluded: chain H residue 19 PHE Chi-restraints excluded: chain H residue 25 ASP Chi-restraints excluded: chain H residue 33 GLN Chi-restraints excluded: chain H residue 34 ASP Chi-restraints excluded: chain H residue 38 SER Chi-restraints excluded: chain H residue 39 ILE Chi-restraints excluded: chain H residue 41 SER Chi-restraints excluded: chain H residue 44 GLU Chi-restraints excluded: chain H residue 46 ASP Chi-restraints excluded: chain H residue 51 SER Chi-restraints excluded: chain H residue 58 THR Chi-restraints excluded: chain H residue 75 LYS Chi-restraints excluded: chain H residue 76 PHE Chi-restraints excluded: chain H residue 77 VAL Chi-restraints excluded: chain H residue 81 LEU Chi-restraints excluded: chain H residue 82 ARG Chi-restraints excluded: chain H residue 87 PHE Chi-restraints excluded: chain H residue 90 SER Chi-restraints excluded: chain H residue 101 MET Chi-restraints excluded: chain H residue 118 GLN Chi-restraints excluded: chain H residue 131 TYR Chi-restraints excluded: chain H residue 135 ARG Chi-restraints excluded: chain H residue 141 LEU Chi-restraints excluded: chain H residue 157 LYS Chi-restraints excluded: chain H residue 158 THR Chi-restraints excluded: chain H residue 162 LEU Chi-restraints excluded: chain H residue 171 GLN Chi-restraints excluded: chain H residue 175 ASP Chi-restraints excluded: chain H residue 179 PHE Chi-restraints excluded: chain H residue 187 ASN Chi-restraints excluded: chain H residue 188 SER Chi-restraints excluded: chain H residue 203 ILE Chi-restraints excluded: chain H residue 208 THR Chi-restraints excluded: chain H residue 210 ARG Chi-restraints excluded: chain H residue 211 SER Chi-restraints excluded: chain H residue 217 ILE Chi-restraints excluded: chain H residue 218 LYS Chi-restraints excluded: chain H residue 219 LEU Chi-restraints excluded: chain H residue 221 ILE Chi-restraints excluded: chain H residue 227 GLU Chi-restraints excluded: chain H residue 228 LEU Chi-restraints excluded: chain H residue 234 SER Chi-restraints excluded: chain H residue 239 ASN Chi-restraints excluded: chain H residue 242 LEU Chi-restraints excluded: chain H residue 249 ASN Chi-restraints excluded: chain H residue 254 ASN Chi-restraints excluded: chain H residue 263 LEU Chi-restraints excluded: chain H residue 271 VAL Chi-restraints excluded: chain H residue 273 ASP Chi-restraints excluded: chain H residue 279 THR Chi-restraints excluded: chain H residue 280 THR Chi-restraints excluded: chain H residue 281 THR Chi-restraints excluded: chain H residue 292 LEU Chi-restraints excluded: chain H residue 293 THR Chi-restraints excluded: chain H residue 297 VAL Chi-restraints excluded: chain H residue 307 CYS Chi-restraints excluded: chain H residue 330 SER Chi-restraints excluded: chain H residue 333 ASP Chi-restraints excluded: chain H residue 339 ASP Chi-restraints excluded: chain H residue 352 ILE Chi-restraints excluded: chain H residue 353 ILE Chi-restraints excluded: chain H residue 355 SER Chi-restraints excluded: chain H residue 356 SER Chi-restraints excluded: chain H residue 359 VAL Chi-restraints excluded: chain H residue 370 ASP Chi-restraints excluded: chain H residue 381 ILE Chi-restraints excluded: chain H residue 383 THR Chi-restraints excluded: chain H residue 384 ILE Chi-restraints excluded: chain H residue 387 SER Chi-restraints excluded: chain H residue 398 VAL Chi-restraints excluded: chain H residue 400 VAL Chi-restraints excluded: chain H residue 402 VAL Chi-restraints excluded: chain H residue 406 HIS Chi-restraints excluded: chain H residue 418 SER Chi-restraints excluded: chain H residue 425 ILE Chi-restraints excluded: chain H residue 430 LYS Chi-restraints excluded: chain H residue 431 VAL Chi-restraints excluded: chain H residue 443 ILE Chi-restraints excluded: chain H residue 452 THR Chi-restraints excluded: chain H residue 462 TYR Chi-restraints excluded: chain H residue 479 GLU Chi-restraints excluded: chain H residue 486 LEU Chi-restraints excluded: chain H residue 488 ARG Chi-restraints excluded: chain H residue 501 ILE Chi-restraints excluded: chain H residue 528 ILE Chi-restraints excluded: chain H residue 532 ASP Chi-restraints excluded: chain H residue 536 GLU Chi-restraints excluded: chain H residue 539 VAL Chi-restraints excluded: chain H residue 549 ILE Chi-restraints excluded: chain H residue 567 MET Chi-restraints excluded: chain H residue 576 GLU Chi-restraints excluded: chain I residue 11 GLN Chi-restraints excluded: chain I residue 12 TYR Chi-restraints excluded: chain I residue 13 LYS Chi-restraints excluded: chain I residue 19 PHE Chi-restraints excluded: chain I residue 24 VAL Chi-restraints excluded: chain I residue 25 ASP Chi-restraints excluded: chain I residue 26 ASN Chi-restraints excluded: chain I residue 33 GLN Chi-restraints excluded: chain I residue 34 ASP Chi-restraints excluded: chain I residue 35 MET Chi-restraints excluded: chain I residue 39 ILE Chi-restraints excluded: chain I residue 41 SER Chi-restraints excluded: chain I residue 44 GLU Chi-restraints excluded: chain I residue 45 ILE Chi-restraints excluded: chain I residue 51 SER Chi-restraints excluded: chain I residue 58 THR Chi-restraints excluded: chain I residue 66 LEU Chi-restraints excluded: chain I residue 70 GLU Chi-restraints excluded: chain I residue 77 VAL Chi-restraints excluded: chain I residue 82 ARG Chi-restraints excluded: chain I residue 94 THR Chi-restraints excluded: chain I residue 103 THR Chi-restraints excluded: chain I residue 107 ILE Chi-restraints excluded: chain I residue 110 ARG Chi-restraints excluded: chain I residue 127 ARG Chi-restraints excluded: chain I residue 131 TYR Chi-restraints excluded: chain I residue 139 LEU Chi-restraints excluded: chain I residue 141 LEU Chi-restraints excluded: chain I residue 146 ASN Chi-restraints excluded: chain I residue 153 LEU Chi-restraints excluded: chain I residue 157 LYS Chi-restraints excluded: chain I residue 158 THR Chi-restraints excluded: chain I residue 186 CYS Chi-restraints excluded: chain I residue 191 THR Chi-restraints excluded: chain I residue 199 LEU Chi-restraints excluded: chain I residue 208 THR Chi-restraints excluded: chain I residue 210 ARG Chi-restraints excluded: chain I residue 217 ILE Chi-restraints excluded: chain I residue 219 LEU Chi-restraints excluded: chain I residue 221 ILE Chi-restraints excluded: chain I residue 231 LEU Chi-restraints excluded: chain I residue 234 SER Chi-restraints excluded: chain I residue 235 LYS Chi-restraints excluded: chain I residue 239 ASN Chi-restraints excluded: chain I residue 241 LEU Chi-restraints excluded: chain I residue 242 LEU Chi-restraints excluded: chain I residue 246 ASN Chi-restraints excluded: chain I residue 249 ASN Chi-restraints excluded: chain I residue 262 ILE Chi-restraints excluded: chain I residue 273 ASP Chi-restraints excluded: chain I residue 279 THR Chi-restraints excluded: chain I residue 280 THR Chi-restraints excluded: chain I residue 281 THR Chi-restraints excluded: chain I residue 285 LEU Chi-restraints excluded: chain I residue 292 LEU Chi-restraints excluded: chain I residue 293 THR Chi-restraints excluded: chain I residue 307 CYS Chi-restraints excluded: chain I residue 321 PRO Chi-restraints excluded: chain I residue 323 ARG Chi-restraints excluded: chain I residue 330 SER Chi-restraints excluded: chain I residue 333 ASP Chi-restraints excluded: chain I residue 350 THR Chi-restraints excluded: chain I residue 352 ILE Chi-restraints excluded: chain I residue 353 ILE Chi-restraints excluded: chain I residue 356 SER Chi-restraints excluded: chain I residue 359 VAL Chi-restraints excluded: chain I residue 361 GLU Chi-restraints excluded: chain I residue 370 ASP Chi-restraints excluded: chain I residue 383 THR Chi-restraints excluded: chain I residue 387 SER Chi-restraints excluded: chain I residue 398 VAL Chi-restraints excluded: chain I residue 400 VAL Chi-restraints excluded: chain I residue 406 HIS Chi-restraints excluded: chain I residue 409 SER Chi-restraints excluded: chain I residue 425 ILE Chi-restraints excluded: chain I residue 429 LEU Chi-restraints excluded: chain I residue 431 VAL Chi-restraints excluded: chain I residue 443 ILE Chi-restraints excluded: chain I residue 452 THR Chi-restraints excluded: chain I residue 462 TYR Chi-restraints excluded: chain I residue 479 GLU Chi-restraints excluded: chain I residue 501 ILE Chi-restraints excluded: chain I residue 528 ILE Chi-restraints excluded: chain I residue 536 GLU Chi-restraints excluded: chain I residue 539 VAL Chi-restraints excluded: chain I residue 544 ASP Chi-restraints excluded: chain I residue 549 ILE Chi-restraints excluded: chain J residue 12 TYR Chi-restraints excluded: chain J residue 13 LYS Chi-restraints excluded: chain J residue 19 PHE Chi-restraints excluded: chain J residue 25 ASP Chi-restraints excluded: chain J residue 33 GLN Chi-restraints excluded: chain J residue 34 ASP Chi-restraints excluded: chain J residue 38 SER Chi-restraints excluded: chain J residue 39 ILE Chi-restraints excluded: chain J residue 41 SER Chi-restraints excluded: chain J residue 44 GLU Chi-restraints excluded: chain J residue 46 ASP Chi-restraints excluded: chain J residue 51 SER Chi-restraints excluded: chain J residue 58 THR Chi-restraints excluded: chain J residue 75 LYS Chi-restraints excluded: chain J residue 76 PHE Chi-restraints excluded: chain J residue 77 VAL Chi-restraints excluded: chain J residue 81 LEU Chi-restraints excluded: chain J residue 82 ARG Chi-restraints excluded: chain J residue 87 PHE Chi-restraints excluded: chain J residue 90 SER Chi-restraints excluded: chain J residue 101 MET Chi-restraints excluded: chain J residue 118 GLN Chi-restraints excluded: chain J residue 127 ARG Chi-restraints excluded: chain J residue 131 TYR Chi-restraints excluded: chain J residue 135 ARG Chi-restraints excluded: chain J residue 141 LEU Chi-restraints excluded: chain J residue 157 LYS Chi-restraints excluded: chain J residue 158 THR Chi-restraints excluded: chain J residue 162 LEU Chi-restraints excluded: chain J residue 171 GLN Chi-restraints excluded: chain J residue 175 ASP Chi-restraints excluded: chain J residue 179 PHE Chi-restraints excluded: chain J residue 187 ASN Chi-restraints excluded: chain J residue 188 SER Chi-restraints excluded: chain J residue 203 ILE Chi-restraints excluded: chain J residue 208 THR Chi-restraints excluded: chain J residue 210 ARG Chi-restraints excluded: chain J residue 211 SER Chi-restraints excluded: chain J residue 217 ILE Chi-restraints excluded: chain J residue 218 LYS Chi-restraints excluded: chain J residue 219 LEU Chi-restraints excluded: chain J residue 221 ILE Chi-restraints excluded: chain J residue 227 GLU Chi-restraints excluded: chain J residue 228 LEU Chi-restraints excluded: chain J residue 234 SER Chi-restraints excluded: chain J residue 239 ASN Chi-restraints excluded: chain J residue 242 LEU Chi-restraints excluded: chain J residue 249 ASN Chi-restraints excluded: chain J residue 254 ASN Chi-restraints excluded: chain J residue 263 LEU Chi-restraints excluded: chain J residue 271 VAL Chi-restraints excluded: chain J residue 273 ASP Chi-restraints excluded: chain J residue 279 THR Chi-restraints excluded: chain J residue 280 THR Chi-restraints excluded: chain J residue 281 THR Chi-restraints excluded: chain J residue 285 LEU Chi-restraints excluded: chain J residue 292 LEU Chi-restraints excluded: chain J residue 293 THR Chi-restraints excluded: chain J residue 297 VAL Chi-restraints excluded: chain J residue 307 CYS Chi-restraints excluded: chain J residue 330 SER Chi-restraints excluded: chain J residue 333 ASP Chi-restraints excluded: chain J residue 339 ASP Chi-restraints excluded: chain J residue 352 ILE Chi-restraints excluded: chain J residue 353 ILE Chi-restraints excluded: chain J residue 355 SER Chi-restraints excluded: chain J residue 356 SER Chi-restraints excluded: chain J residue 359 VAL Chi-restraints excluded: chain J residue 370 ASP Chi-restraints excluded: chain J residue 381 ILE Chi-restraints excluded: chain J residue 383 THR Chi-restraints excluded: chain J residue 384 ILE Chi-restraints excluded: chain J residue 387 SER Chi-restraints excluded: chain J residue 398 VAL Chi-restraints excluded: chain J residue 400 VAL Chi-restraints excluded: chain J residue 402 VAL Chi-restraints excluded: chain J residue 406 HIS Chi-restraints excluded: chain J residue 418 SER Chi-restraints excluded: chain J residue 425 ILE Chi-restraints excluded: chain J residue 430 LYS Chi-restraints excluded: chain J residue 431 VAL Chi-restraints excluded: chain J residue 443 ILE Chi-restraints excluded: chain J residue 452 THR Chi-restraints excluded: chain J residue 462 TYR Chi-restraints excluded: chain J residue 479 GLU Chi-restraints excluded: chain J residue 486 LEU Chi-restraints excluded: chain J residue 488 ARG Chi-restraints excluded: chain J residue 501 ILE Chi-restraints excluded: chain J residue 528 ILE Chi-restraints excluded: chain J residue 532 ASP Chi-restraints excluded: chain J residue 536 GLU Chi-restraints excluded: chain J residue 539 VAL Chi-restraints excluded: chain J residue 549 ILE Chi-restraints excluded: chain J residue 567 MET Chi-restraints excluded: chain J residue 576 GLU Chi-restraints excluded: chain K residue 11 GLN Chi-restraints excluded: chain K residue 12 TYR Chi-restraints excluded: chain K residue 13 LYS Chi-restraints excluded: chain K residue 19 PHE Chi-restraints excluded: chain K residue 24 VAL Chi-restraints excluded: chain K residue 25 ASP Chi-restraints excluded: chain K residue 26 ASN Chi-restraints excluded: chain K residue 33 GLN Chi-restraints excluded: chain K residue 34 ASP Chi-restraints excluded: chain K residue 35 MET Chi-restraints excluded: chain K residue 39 ILE Chi-restraints excluded: chain K residue 41 SER Chi-restraints excluded: chain K residue 44 GLU Chi-restraints excluded: chain K residue 45 ILE Chi-restraints excluded: chain K residue 51 SER Chi-restraints excluded: chain K residue 58 THR Chi-restraints excluded: chain K residue 66 LEU Chi-restraints excluded: chain K residue 70 GLU Chi-restraints excluded: chain K residue 77 VAL Chi-restraints excluded: chain K residue 82 ARG Chi-restraints excluded: chain K residue 87 PHE Chi-restraints excluded: chain K residue 94 THR Chi-restraints excluded: chain K residue 103 THR Chi-restraints excluded: chain K residue 107 ILE Chi-restraints excluded: chain K residue 110 ARG Chi-restraints excluded: chain K residue 127 ARG Chi-restraints excluded: chain K residue 131 TYR Chi-restraints excluded: chain K residue 139 LEU Chi-restraints excluded: chain K residue 141 LEU Chi-restraints excluded: chain K residue 146 ASN Chi-restraints excluded: chain K residue 153 LEU Chi-restraints excluded: chain K residue 157 LYS Chi-restraints excluded: chain K residue 158 THR Chi-restraints excluded: chain K residue 186 CYS Chi-restraints excluded: chain K residue 191 THR Chi-restraints excluded: chain K residue 199 LEU Chi-restraints excluded: chain K residue 208 THR Chi-restraints excluded: chain K residue 210 ARG Chi-restraints excluded: chain K residue 217 ILE Chi-restraints excluded: chain K residue 219 LEU Chi-restraints excluded: chain K residue 221 ILE Chi-restraints excluded: chain K residue 231 LEU Chi-restraints excluded: chain K residue 234 SER Chi-restraints excluded: chain K residue 235 LYS Chi-restraints excluded: chain K residue 239 ASN Chi-restraints excluded: chain K residue 241 LEU Chi-restraints excluded: chain K residue 242 LEU Chi-restraints excluded: chain K residue 246 ASN Chi-restraints excluded: chain K residue 249 ASN Chi-restraints excluded: chain K residue 262 ILE Chi-restraints excluded: chain K residue 273 ASP Chi-restraints excluded: chain K residue 279 THR Chi-restraints excluded: chain K residue 280 THR Chi-restraints excluded: chain K residue 281 THR Chi-restraints excluded: chain K residue 285 LEU Chi-restraints excluded: chain K residue 292 LEU Chi-restraints excluded: chain K residue 293 THR Chi-restraints excluded: chain K residue 307 CYS Chi-restraints excluded: chain K residue 321 PRO Chi-restraints excluded: chain K residue 323 ARG Chi-restraints excluded: chain K residue 330 SER Chi-restraints excluded: chain K residue 333 ASP Chi-restraints excluded: chain K residue 350 THR Chi-restraints excluded: chain K residue 352 ILE Chi-restraints excluded: chain K residue 353 ILE Chi-restraints excluded: chain K residue 356 SER Chi-restraints excluded: chain K residue 359 VAL Chi-restraints excluded: chain K residue 361 GLU Chi-restraints excluded: chain K residue 370 ASP Chi-restraints excluded: chain K residue 383 THR Chi-restraints excluded: chain K residue 387 SER Chi-restraints excluded: chain K residue 398 VAL Chi-restraints excluded: chain K residue 400 VAL Chi-restraints excluded: chain K residue 406 HIS Chi-restraints excluded: chain K residue 409 SER Chi-restraints excluded: chain K residue 425 ILE Chi-restraints excluded: chain K residue 429 LEU Chi-restraints excluded: chain K residue 431 VAL Chi-restraints excluded: chain K residue 443 ILE Chi-restraints excluded: chain K residue 452 THR Chi-restraints excluded: chain K residue 462 TYR Chi-restraints excluded: chain K residue 479 GLU Chi-restraints excluded: chain K residue 501 ILE Chi-restraints excluded: chain K residue 528 ILE Chi-restraints excluded: chain K residue 536 GLU Chi-restraints excluded: chain K residue 539 VAL Chi-restraints excluded: chain K residue 544 ASP Chi-restraints excluded: chain K residue 549 ILE Chi-restraints excluded: chain L residue 12 TYR Chi-restraints excluded: chain L residue 13 LYS Chi-restraints excluded: chain L residue 19 PHE Chi-restraints excluded: chain L residue 25 ASP Chi-restraints excluded: chain L residue 33 GLN Chi-restraints excluded: chain L residue 34 ASP Chi-restraints excluded: chain L residue 38 SER Chi-restraints excluded: chain L residue 39 ILE Chi-restraints excluded: chain L residue 41 SER Chi-restraints excluded: chain L residue 44 GLU Chi-restraints excluded: chain L residue 46 ASP Chi-restraints excluded: chain L residue 51 SER Chi-restraints excluded: chain L residue 58 THR Chi-restraints excluded: chain L residue 75 LYS Chi-restraints excluded: chain L residue 76 PHE Chi-restraints excluded: chain L residue 77 VAL Chi-restraints excluded: chain L residue 81 LEU Chi-restraints excluded: chain L residue 82 ARG Chi-restraints excluded: chain L residue 87 PHE Chi-restraints excluded: chain L residue 90 SER Chi-restraints excluded: chain L residue 101 MET Chi-restraints excluded: chain L residue 118 GLN Chi-restraints excluded: chain L residue 127 ARG Chi-restraints excluded: chain L residue 131 TYR Chi-restraints excluded: chain L residue 135 ARG Chi-restraints excluded: chain L residue 141 LEU Chi-restraints excluded: chain L residue 157 LYS Chi-restraints excluded: chain L residue 158 THR Chi-restraints excluded: chain L residue 162 LEU Chi-restraints excluded: chain L residue 171 GLN Chi-restraints excluded: chain L residue 175 ASP Chi-restraints excluded: chain L residue 179 PHE Chi-restraints excluded: chain L residue 187 ASN Chi-restraints excluded: chain L residue 188 SER Chi-restraints excluded: chain L residue 203 ILE Chi-restraints excluded: chain L residue 208 THR Chi-restraints excluded: chain L residue 210 ARG Chi-restraints excluded: chain L residue 211 SER Chi-restraints excluded: chain L residue 217 ILE Chi-restraints excluded: chain L residue 218 LYS Chi-restraints excluded: chain L residue 219 LEU Chi-restraints excluded: chain L residue 221 ILE Chi-restraints excluded: chain L residue 227 GLU Chi-restraints excluded: chain L residue 228 LEU Chi-restraints excluded: chain L residue 234 SER Chi-restraints excluded: chain L residue 239 ASN Chi-restraints excluded: chain L residue 242 LEU Chi-restraints excluded: chain L residue 249 ASN Chi-restraints excluded: chain L residue 254 ASN Chi-restraints excluded: chain L residue 263 LEU Chi-restraints excluded: chain L residue 271 VAL Chi-restraints excluded: chain L residue 273 ASP Chi-restraints excluded: chain L residue 279 THR Chi-restraints excluded: chain L residue 280 THR Chi-restraints excluded: chain L residue 281 THR Chi-restraints excluded: chain L residue 285 LEU Chi-restraints excluded: chain L residue 292 LEU Chi-restraints excluded: chain L residue 293 THR Chi-restraints excluded: chain L residue 297 VAL Chi-restraints excluded: chain L residue 307 CYS Chi-restraints excluded: chain L residue 330 SER Chi-restraints excluded: chain L residue 333 ASP Chi-restraints excluded: chain L residue 339 ASP Chi-restraints excluded: chain L residue 352 ILE Chi-restraints excluded: chain L residue 353 ILE Chi-restraints excluded: chain L residue 355 SER Chi-restraints excluded: chain L residue 356 SER Chi-restraints excluded: chain L residue 359 VAL Chi-restraints excluded: chain L residue 370 ASP Chi-restraints excluded: chain L residue 381 ILE Chi-restraints excluded: chain L residue 383 THR Chi-restraints excluded: chain L residue 384 ILE Chi-restraints excluded: chain L residue 387 SER Chi-restraints excluded: chain L residue 398 VAL Chi-restraints excluded: chain L residue 400 VAL Chi-restraints excluded: chain L residue 402 VAL Chi-restraints excluded: chain L residue 406 HIS Chi-restraints excluded: chain L residue 418 SER Chi-restraints excluded: chain L residue 425 ILE Chi-restraints excluded: chain L residue 430 LYS Chi-restraints excluded: chain L residue 431 VAL Chi-restraints excluded: chain L residue 443 ILE Chi-restraints excluded: chain L residue 452 THR Chi-restraints excluded: chain L residue 462 TYR Chi-restraints excluded: chain L residue 479 GLU Chi-restraints excluded: chain L residue 486 LEU Chi-restraints excluded: chain L residue 488 ARG Chi-restraints excluded: chain L residue 501 ILE Chi-restraints excluded: chain L residue 528 ILE Chi-restraints excluded: chain L residue 532 ASP Chi-restraints excluded: chain L residue 536 GLU Chi-restraints excluded: chain L residue 539 VAL Chi-restraints excluded: chain L residue 549 ILE Chi-restraints excluded: chain L residue 567 MET Chi-restraints excluded: chain L residue 576 GLU Chi-restraints excluded: chain M residue 11 GLN Chi-restraints excluded: chain M residue 12 TYR Chi-restraints excluded: chain M residue 13 LYS Chi-restraints excluded: chain M residue 19 PHE Chi-restraints excluded: chain M residue 24 VAL Chi-restraints excluded: chain M residue 25 ASP Chi-restraints excluded: chain M residue 26 ASN Chi-restraints excluded: chain M residue 33 GLN Chi-restraints excluded: chain M residue 34 ASP Chi-restraints excluded: chain M residue 35 MET Chi-restraints excluded: chain M residue 39 ILE Chi-restraints excluded: chain M residue 41 SER Chi-restraints excluded: chain M residue 44 GLU Chi-restraints excluded: chain M residue 45 ILE Chi-restraints excluded: chain M residue 51 SER Chi-restraints excluded: chain M residue 58 THR Chi-restraints excluded: chain M residue 66 LEU Chi-restraints excluded: chain M residue 70 GLU Chi-restraints excluded: chain M residue 77 VAL Chi-restraints excluded: chain M residue 82 ARG Chi-restraints excluded: chain M residue 87 PHE Chi-restraints excluded: chain M residue 94 THR Chi-restraints excluded: chain M residue 103 THR Chi-restraints excluded: chain M residue 107 ILE Chi-restraints excluded: chain M residue 110 ARG Chi-restraints excluded: chain M residue 127 ARG Chi-restraints excluded: chain M residue 131 TYR Chi-restraints excluded: chain M residue 139 LEU Chi-restraints excluded: chain M residue 141 LEU Chi-restraints excluded: chain M residue 146 ASN Chi-restraints excluded: chain M residue 153 LEU Chi-restraints excluded: chain M residue 157 LYS Chi-restraints excluded: chain M residue 158 THR Chi-restraints excluded: chain M residue 186 CYS Chi-restraints excluded: chain M residue 191 THR Chi-restraints excluded: chain M residue 199 LEU Chi-restraints excluded: chain M residue 208 THR Chi-restraints excluded: chain M residue 210 ARG Chi-restraints excluded: chain M residue 217 ILE Chi-restraints excluded: chain M residue 219 LEU Chi-restraints excluded: chain M residue 221 ILE Chi-restraints excluded: chain M residue 231 LEU Chi-restraints excluded: chain M residue 234 SER Chi-restraints excluded: chain M residue 235 LYS Chi-restraints excluded: chain M residue 239 ASN Chi-restraints excluded: chain M residue 241 LEU Chi-restraints excluded: chain M residue 242 LEU Chi-restraints excluded: chain M residue 246 ASN Chi-restraints excluded: chain M residue 249 ASN Chi-restraints excluded: chain M residue 262 ILE Chi-restraints excluded: chain M residue 273 ASP Chi-restraints excluded: chain M residue 279 THR Chi-restraints excluded: chain M residue 280 THR Chi-restraints excluded: chain M residue 281 THR Chi-restraints excluded: chain M residue 285 LEU Chi-restraints excluded: chain M residue 292 LEU Chi-restraints excluded: chain M residue 293 THR Chi-restraints excluded: chain M residue 307 CYS Chi-restraints excluded: chain M residue 321 PRO Chi-restraints excluded: chain M residue 323 ARG Chi-restraints excluded: chain M residue 330 SER Chi-restraints excluded: chain M residue 333 ASP Chi-restraints excluded: chain M residue 350 THR Chi-restraints excluded: chain M residue 352 ILE Chi-restraints excluded: chain M residue 353 ILE Chi-restraints excluded: chain M residue 356 SER Chi-restraints excluded: chain M residue 359 VAL Chi-restraints excluded: chain M residue 361 GLU Chi-restraints excluded: chain M residue 370 ASP Chi-restraints excluded: chain M residue 383 THR Chi-restraints excluded: chain M residue 387 SER Chi-restraints excluded: chain M residue 398 VAL Chi-restraints excluded: chain M residue 400 VAL Chi-restraints excluded: chain M residue 406 HIS Chi-restraints excluded: chain M residue 409 SER Chi-restraints excluded: chain M residue 425 ILE Chi-restraints excluded: chain M residue 429 LEU Chi-restraints excluded: chain M residue 431 VAL Chi-restraints excluded: chain M residue 443 ILE Chi-restraints excluded: chain M residue 452 THR Chi-restraints excluded: chain M residue 462 TYR Chi-restraints excluded: chain M residue 479 GLU Chi-restraints excluded: chain M residue 501 ILE Chi-restraints excluded: chain M residue 528 ILE Chi-restraints excluded: chain M residue 536 GLU Chi-restraints excluded: chain M residue 539 VAL Chi-restraints excluded: chain M residue 544 ASP Chi-restraints excluded: chain M residue 549 ILE Chi-restraints excluded: chain N residue 12 TYR Chi-restraints excluded: chain N residue 13 LYS Chi-restraints excluded: chain N residue 19 PHE Chi-restraints excluded: chain N residue 25 ASP Chi-restraints excluded: chain N residue 33 GLN Chi-restraints excluded: chain N residue 34 ASP Chi-restraints excluded: chain N residue 38 SER Chi-restraints excluded: chain N residue 39 ILE Chi-restraints excluded: chain N residue 41 SER Chi-restraints excluded: chain N residue 44 GLU Chi-restraints excluded: chain N residue 46 ASP Chi-restraints excluded: chain N residue 51 SER Chi-restraints excluded: chain N residue 58 THR Chi-restraints excluded: chain N residue 75 LYS Chi-restraints excluded: chain N residue 76 PHE Chi-restraints excluded: chain N residue 77 VAL Chi-restraints excluded: chain N residue 81 LEU Chi-restraints excluded: chain N residue 82 ARG Chi-restraints excluded: chain N residue 87 PHE Chi-restraints excluded: chain N residue 90 SER Chi-restraints excluded: chain N residue 101 MET Chi-restraints excluded: chain N residue 118 GLN Chi-restraints excluded: chain N residue 131 TYR Chi-restraints excluded: chain N residue 135 ARG Chi-restraints excluded: chain N residue 141 LEU Chi-restraints excluded: chain N residue 157 LYS Chi-restraints excluded: chain N residue 158 THR Chi-restraints excluded: chain N residue 162 LEU Chi-restraints excluded: chain N residue 171 GLN Chi-restraints excluded: chain N residue 175 ASP Chi-restraints excluded: chain N residue 179 PHE Chi-restraints excluded: chain N residue 187 ASN Chi-restraints excluded: chain N residue 188 SER Chi-restraints excluded: chain N residue 203 ILE Chi-restraints excluded: chain N residue 208 THR Chi-restraints excluded: chain N residue 210 ARG Chi-restraints excluded: chain N residue 211 SER Chi-restraints excluded: chain N residue 217 ILE Chi-restraints excluded: chain N residue 218 LYS Chi-restraints excluded: chain N residue 219 LEU Chi-restraints excluded: chain N residue 221 ILE Chi-restraints excluded: chain N residue 227 GLU Chi-restraints excluded: chain N residue 228 LEU Chi-restraints excluded: chain N residue 234 SER Chi-restraints excluded: chain N residue 239 ASN Chi-restraints excluded: chain N residue 242 LEU Chi-restraints excluded: chain N residue 249 ASN Chi-restraints excluded: chain N residue 254 ASN Chi-restraints excluded: chain N residue 263 LEU Chi-restraints excluded: chain N residue 271 VAL Chi-restraints excluded: chain N residue 273 ASP Chi-restraints excluded: chain N residue 279 THR Chi-restraints excluded: chain N residue 280 THR Chi-restraints excluded: chain N residue 281 THR Chi-restraints excluded: chain N residue 292 LEU Chi-restraints excluded: chain N residue 293 THR Chi-restraints excluded: chain N residue 297 VAL Chi-restraints excluded: chain N residue 307 CYS Chi-restraints excluded: chain N residue 330 SER Chi-restraints excluded: chain N residue 333 ASP Chi-restraints excluded: chain N residue 339 ASP Chi-restraints excluded: chain N residue 352 ILE Chi-restraints excluded: chain N residue 353 ILE Chi-restraints excluded: chain N residue 355 SER Chi-restraints excluded: chain N residue 356 SER Chi-restraints excluded: chain N residue 359 VAL Chi-restraints excluded: chain N residue 370 ASP Chi-restraints excluded: chain N residue 381 ILE Chi-restraints excluded: chain N residue 383 THR Chi-restraints excluded: chain N residue 384 ILE Chi-restraints excluded: chain N residue 387 SER Chi-restraints excluded: chain N residue 398 VAL Chi-restraints excluded: chain N residue 400 VAL Chi-restraints excluded: chain N residue 402 VAL Chi-restraints excluded: chain N residue 406 HIS Chi-restraints excluded: chain N residue 418 SER Chi-restraints excluded: chain N residue 425 ILE Chi-restraints excluded: chain N residue 430 LYS Chi-restraints excluded: chain N residue 431 VAL Chi-restraints excluded: chain N residue 443 ILE Chi-restraints excluded: chain N residue 452 THR Chi-restraints excluded: chain N residue 462 TYR Chi-restraints excluded: chain N residue 479 GLU Chi-restraints excluded: chain N residue 486 LEU Chi-restraints excluded: chain N residue 488 ARG Chi-restraints excluded: chain N residue 501 ILE Chi-restraints excluded: chain N residue 528 ILE Chi-restraints excluded: chain N residue 532 ASP Chi-restraints excluded: chain N residue 536 GLU Chi-restraints excluded: chain N residue 539 VAL Chi-restraints excluded: chain N residue 549 ILE Chi-restraints excluded: chain N residue 567 MET Chi-restraints excluded: chain N residue 576 GLU Chi-restraints excluded: chain O residue 11 GLN Chi-restraints excluded: chain O residue 12 TYR Chi-restraints excluded: chain O residue 13 LYS Chi-restraints excluded: chain O residue 19 PHE Chi-restraints excluded: chain O residue 24 VAL Chi-restraints excluded: chain O residue 25 ASP Chi-restraints excluded: chain O residue 26 ASN Chi-restraints excluded: chain O residue 33 GLN Chi-restraints excluded: chain O residue 34 ASP Chi-restraints excluded: chain O residue 35 MET Chi-restraints excluded: chain O residue 39 ILE Chi-restraints excluded: chain O residue 41 SER Chi-restraints excluded: chain O residue 44 GLU Chi-restraints excluded: chain O residue 45 ILE Chi-restraints excluded: chain O residue 51 SER Chi-restraints excluded: chain O residue 58 THR Chi-restraints excluded: chain O residue 66 LEU Chi-restraints excluded: chain O residue 70 GLU Chi-restraints excluded: chain O residue 77 VAL Chi-restraints excluded: chain O residue 82 ARG Chi-restraints excluded: chain O residue 87 PHE Chi-restraints excluded: chain O residue 94 THR Chi-restraints excluded: chain O residue 103 THR Chi-restraints excluded: chain O residue 107 ILE Chi-restraints excluded: chain O residue 110 ARG Chi-restraints excluded: chain O residue 127 ARG Chi-restraints excluded: chain O residue 131 TYR Chi-restraints excluded: chain O residue 139 LEU Chi-restraints excluded: chain O residue 141 LEU Chi-restraints excluded: chain O residue 146 ASN Chi-restraints excluded: chain O residue 153 LEU Chi-restraints excluded: chain O residue 157 LYS Chi-restraints excluded: chain O residue 158 THR Chi-restraints excluded: chain O residue 186 CYS Chi-restraints excluded: chain O residue 191 THR Chi-restraints excluded: chain O residue 199 LEU Chi-restraints excluded: chain O residue 208 THR Chi-restraints excluded: chain O residue 210 ARG Chi-restraints excluded: chain O residue 217 ILE Chi-restraints excluded: chain O residue 219 LEU Chi-restraints excluded: chain O residue 221 ILE Chi-restraints excluded: chain O residue 231 LEU Chi-restraints excluded: chain O residue 234 SER Chi-restraints excluded: chain O residue 235 LYS Chi-restraints excluded: chain O residue 239 ASN Chi-restraints excluded: chain O residue 241 LEU Chi-restraints excluded: chain O residue 242 LEU Chi-restraints excluded: chain O residue 246 ASN Chi-restraints excluded: chain O residue 249 ASN Chi-restraints excluded: chain O residue 262 ILE Chi-restraints excluded: chain O residue 273 ASP Chi-restraints excluded: chain O residue 279 THR Chi-restraints excluded: chain O residue 280 THR Chi-restraints excluded: chain O residue 281 THR Chi-restraints excluded: chain O residue 285 LEU Chi-restraints excluded: chain O residue 292 LEU Chi-restraints excluded: chain O residue 293 THR Chi-restraints excluded: chain O residue 307 CYS Chi-restraints excluded: chain O residue 321 PRO Chi-restraints excluded: chain O residue 323 ARG Chi-restraints excluded: chain O residue 330 SER Chi-restraints excluded: chain O residue 333 ASP Chi-restraints excluded: chain O residue 350 THR Chi-restraints excluded: chain O residue 352 ILE Chi-restraints excluded: chain O residue 353 ILE Chi-restraints excluded: chain O residue 356 SER Chi-restraints excluded: chain O residue 359 VAL Chi-restraints excluded: chain O residue 361 GLU Chi-restraints excluded: chain O residue 370 ASP Chi-restraints excluded: chain O residue 383 THR Chi-restraints excluded: chain O residue 387 SER Chi-restraints excluded: chain O residue 398 VAL Chi-restraints excluded: chain O residue 400 VAL Chi-restraints excluded: chain O residue 406 HIS Chi-restraints excluded: chain O residue 409 SER Chi-restraints excluded: chain O residue 425 ILE Chi-restraints excluded: chain O residue 429 LEU Chi-restraints excluded: chain O residue 431 VAL Chi-restraints excluded: chain O residue 443 ILE Chi-restraints excluded: chain O residue 452 THR Chi-restraints excluded: chain O residue 462 TYR Chi-restraints excluded: chain O residue 479 GLU Chi-restraints excluded: chain O residue 501 ILE Chi-restraints excluded: chain O residue 528 ILE Chi-restraints excluded: chain O residue 536 GLU Chi-restraints excluded: chain O residue 539 VAL Chi-restraints excluded: chain O residue 544 ASP Chi-restraints excluded: chain O residue 549 ILE Chi-restraints excluded: chain P residue 12 TYR Chi-restraints excluded: chain P residue 13 LYS Chi-restraints excluded: chain P residue 19 PHE Chi-restraints excluded: chain P residue 25 ASP Chi-restraints excluded: chain P residue 33 GLN Chi-restraints excluded: chain P residue 34 ASP Chi-restraints excluded: chain P residue 38 SER Chi-restraints excluded: chain P residue 39 ILE Chi-restraints excluded: chain P residue 41 SER Chi-restraints excluded: chain P residue 44 GLU Chi-restraints excluded: chain P residue 46 ASP Chi-restraints excluded: chain P residue 51 SER Chi-restraints excluded: chain P residue 58 THR Chi-restraints excluded: chain P residue 75 LYS Chi-restraints excluded: chain P residue 76 PHE Chi-restraints excluded: chain P residue 77 VAL Chi-restraints excluded: chain P residue 81 LEU Chi-restraints excluded: chain P residue 82 ARG Chi-restraints excluded: chain P residue 87 PHE Chi-restraints excluded: chain P residue 90 SER Chi-restraints excluded: chain P residue 101 MET Chi-restraints excluded: chain P residue 118 GLN Chi-restraints excluded: chain P residue 131 TYR Chi-restraints excluded: chain P residue 135 ARG Chi-restraints excluded: chain P residue 141 LEU Chi-restraints excluded: chain P residue 157 LYS Chi-restraints excluded: chain P residue 158 THR Chi-restraints excluded: chain P residue 162 LEU Chi-restraints excluded: chain P residue 171 GLN Chi-restraints excluded: chain P residue 175 ASP Chi-restraints excluded: chain P residue 179 PHE Chi-restraints excluded: chain P residue 187 ASN Chi-restraints excluded: chain P residue 188 SER Chi-restraints excluded: chain P residue 203 ILE Chi-restraints excluded: chain P residue 208 THR Chi-restraints excluded: chain P residue 210 ARG Chi-restraints excluded: chain P residue 211 SER Chi-restraints excluded: chain P residue 217 ILE Chi-restraints excluded: chain P residue 218 LYS Chi-restraints excluded: chain P residue 219 LEU Chi-restraints excluded: chain P residue 221 ILE Chi-restraints excluded: chain P residue 227 GLU Chi-restraints excluded: chain P residue 228 LEU Chi-restraints excluded: chain P residue 234 SER Chi-restraints excluded: chain P residue 239 ASN Chi-restraints excluded: chain P residue 242 LEU Chi-restraints excluded: chain P residue 249 ASN Chi-restraints excluded: chain P residue 254 ASN Chi-restraints excluded: chain P residue 263 LEU Chi-restraints excluded: chain P residue 271 VAL Chi-restraints excluded: chain P residue 273 ASP Chi-restraints excluded: chain P residue 279 THR Chi-restraints excluded: chain P residue 280 THR Chi-restraints excluded: chain P residue 281 THR Chi-restraints excluded: chain P residue 292 LEU Chi-restraints excluded: chain P residue 293 THR Chi-restraints excluded: chain P residue 297 VAL Chi-restraints excluded: chain P residue 307 CYS Chi-restraints excluded: chain P residue 330 SER Chi-restraints excluded: chain P residue 333 ASP Chi-restraints excluded: chain P residue 339 ASP Chi-restraints excluded: chain P residue 352 ILE Chi-restraints excluded: chain P residue 353 ILE Chi-restraints excluded: chain P residue 355 SER Chi-restraints excluded: chain P residue 356 SER Chi-restraints excluded: chain P residue 359 VAL Chi-restraints excluded: chain P residue 370 ASP Chi-restraints excluded: chain P residue 381 ILE Chi-restraints excluded: chain P residue 383 THR Chi-restraints excluded: chain P residue 384 ILE Chi-restraints excluded: chain P residue 387 SER Chi-restraints excluded: chain P residue 398 VAL Chi-restraints excluded: chain P residue 400 VAL Chi-restraints excluded: chain P residue 402 VAL Chi-restraints excluded: chain P residue 406 HIS Chi-restraints excluded: chain P residue 418 SER Chi-restraints excluded: chain P residue 425 ILE Chi-restraints excluded: chain P residue 430 LYS Chi-restraints excluded: chain P residue 431 VAL Chi-restraints excluded: chain P residue 443 ILE Chi-restraints excluded: chain P residue 452 THR Chi-restraints excluded: chain P residue 462 TYR Chi-restraints excluded: chain P residue 479 GLU Chi-restraints excluded: chain P residue 486 LEU Chi-restraints excluded: chain P residue 488 ARG Chi-restraints excluded: chain P residue 501 ILE Chi-restraints excluded: chain P residue 528 ILE Chi-restraints excluded: chain P residue 532 ASP Chi-restraints excluded: chain P residue 536 GLU Chi-restraints excluded: chain P residue 539 VAL Chi-restraints excluded: chain P residue 549 ILE Chi-restraints excluded: chain P residue 567 MET Chi-restraints excluded: chain P residue 576 GLU Chi-restraints excluded: chain Q residue 11 GLN Chi-restraints excluded: chain Q residue 12 TYR Chi-restraints excluded: chain Q residue 13 LYS Chi-restraints excluded: chain Q residue 19 PHE Chi-restraints excluded: chain Q residue 24 VAL Chi-restraints excluded: chain Q residue 25 ASP Chi-restraints excluded: chain Q residue 26 ASN Chi-restraints excluded: chain Q residue 33 GLN Chi-restraints excluded: chain Q residue 34 ASP Chi-restraints excluded: chain Q residue 35 MET Chi-restraints excluded: chain Q residue 39 ILE Chi-restraints excluded: chain Q residue 41 SER Chi-restraints excluded: chain Q residue 44 GLU Chi-restraints excluded: chain Q residue 45 ILE Chi-restraints excluded: chain Q residue 51 SER Chi-restraints excluded: chain Q residue 58 THR Chi-restraints excluded: chain Q residue 66 LEU Chi-restraints excluded: chain Q residue 70 GLU Chi-restraints excluded: chain Q residue 77 VAL Chi-restraints excluded: chain Q residue 82 ARG Chi-restraints excluded: chain Q residue 87 PHE Chi-restraints excluded: chain Q residue 94 THR Chi-restraints excluded: chain Q residue 103 THR Chi-restraints excluded: chain Q residue 107 ILE Chi-restraints excluded: chain Q residue 110 ARG Chi-restraints excluded: chain Q residue 127 ARG Chi-restraints excluded: chain Q residue 131 TYR Chi-restraints excluded: chain Q residue 139 LEU Chi-restraints excluded: chain Q residue 141 LEU Chi-restraints excluded: chain Q residue 146 ASN Chi-restraints excluded: chain Q residue 153 LEU Chi-restraints excluded: chain Q residue 157 LYS Chi-restraints excluded: chain Q residue 158 THR Chi-restraints excluded: chain Q residue 186 CYS Chi-restraints excluded: chain Q residue 191 THR Chi-restraints excluded: chain Q residue 199 LEU Chi-restraints excluded: chain Q residue 208 THR Chi-restraints excluded: chain Q residue 210 ARG Chi-restraints excluded: chain Q residue 217 ILE Chi-restraints excluded: chain Q residue 219 LEU Chi-restraints excluded: chain Q residue 221 ILE Chi-restraints excluded: chain Q residue 231 LEU Chi-restraints excluded: chain Q residue 234 SER Chi-restraints excluded: chain Q residue 235 LYS Chi-restraints excluded: chain Q residue 239 ASN Chi-restraints excluded: chain Q residue 241 LEU Chi-restraints excluded: chain Q residue 242 LEU Chi-restraints excluded: chain Q residue 246 ASN Chi-restraints excluded: chain Q residue 249 ASN Chi-restraints excluded: chain Q residue 262 ILE Chi-restraints excluded: chain Q residue 273 ASP Chi-restraints excluded: chain Q residue 279 THR Chi-restraints excluded: chain Q residue 280 THR Chi-restraints excluded: chain Q residue 281 THR Chi-restraints excluded: chain Q residue 285 LEU Chi-restraints excluded: chain Q residue 292 LEU Chi-restraints excluded: chain Q residue 293 THR Chi-restraints excluded: chain Q residue 307 CYS Chi-restraints excluded: chain Q residue 321 PRO Chi-restraints excluded: chain Q residue 323 ARG Chi-restraints excluded: chain Q residue 330 SER Chi-restraints excluded: chain Q residue 333 ASP Chi-restraints excluded: chain Q residue 350 THR Chi-restraints excluded: chain Q residue 352 ILE Chi-restraints excluded: chain Q residue 353 ILE Chi-restraints excluded: chain Q residue 356 SER Chi-restraints excluded: chain Q residue 359 VAL Chi-restraints excluded: chain Q residue 361 GLU Chi-restraints excluded: chain Q residue 370 ASP Chi-restraints excluded: chain Q residue 383 THR Chi-restraints excluded: chain Q residue 387 SER Chi-restraints excluded: chain Q residue 398 VAL Chi-restraints excluded: chain Q residue 400 VAL Chi-restraints excluded: chain Q residue 406 HIS Chi-restraints excluded: chain Q residue 409 SER Chi-restraints excluded: chain Q residue 425 ILE Chi-restraints excluded: chain Q residue 429 LEU Chi-restraints excluded: chain Q residue 431 VAL Chi-restraints excluded: chain Q residue 443 ILE Chi-restraints excluded: chain Q residue 452 THR Chi-restraints excluded: chain Q residue 462 TYR Chi-restraints excluded: chain Q residue 479 GLU Chi-restraints excluded: chain Q residue 501 ILE Chi-restraints excluded: chain Q residue 528 ILE Chi-restraints excluded: chain Q residue 536 GLU Chi-restraints excluded: chain Q residue 539 VAL Chi-restraints excluded: chain Q residue 544 ASP Chi-restraints excluded: chain Q residue 549 ILE Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 9.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 69 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 282 HIS A 343 HIS ** A 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 47 HIS C 69 GLN ** C 74 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 98 GLN ** C 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 206 ASN ** C 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 282 HIS ** C 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 448 ASN ** C 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 282 HIS D 343 HIS ** D 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 465 GLN ** D 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 47 HIS E 69 GLN ** E 74 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 98 GLN ** E 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 206 ASN E 225 GLN ** E 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 282 HIS ** E 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** E 448 ASN ** E 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 136 GLN ** F 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 282 HIS F 343 HIS ** F 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** F 465 GLN ** F 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 47 HIS G 69 GLN ** G 74 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 98 GLN ** G 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 206 ASN ** G 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 282 HIS ** G 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 448 ASN ** G 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 69 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 282 HIS H 343 HIS ** H 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 465 GLN ** H 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 47 HIS I 69 GLN ** I 74 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 98 GLN ** I 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 206 ASN I 225 GLN ** I 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 282 HIS ** I 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** I 448 ASN ** I 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 136 GLN ** J 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 282 HIS J 343 HIS ** J 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 47 HIS K 69 GLN ** K 74 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 98 GLN ** K 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 206 ASN K 225 GLN ** K 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 282 HIS ** K 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 448 ASN ** K 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 282 HIS L 343 HIS ** L 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 465 GLN ** L 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 47 HIS M 69 GLN ** M 74 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 98 GLN ** M 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 206 ASN ** M 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 282 HIS ** M 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** M 448 ASN ** M 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 136 GLN ** N 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 282 HIS N 343 HIS ** N 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 47 HIS O 69 GLN ** O 74 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 98 GLN ** O 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 206 ASN O 225 GLN ** O 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 282 HIS ** O 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 448 ASN ** O 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 69 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 282 HIS P 343 HIS ** P 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 465 GLN ** P 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 47 HIS Q 69 GLN ** Q 74 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 98 GLN ** Q 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 206 ASN ** Q 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 282 HIS ** Q 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Q 448 ASN ** Q 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 76 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7844 moved from start: 1.2655 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.039 0.286 113878 Z= 2.370 Angle : 2.872 31.639 154904 Z= 1.382 Chirality : 0.112 0.564 19294 Planarity : 0.018 0.180 20033 Dihedral : 16.627 171.628 18501 Min Nonbonded Distance : 1.803 Molprobity Statistics. All-atom Clashscore : 97.19 Ramachandran Plot: Outliers : 3.25 % Allowed : 30.21 % Favored : 66.54 % Rotamer: Outliers : 31.04 % Allowed : 22.81 % Favored : 46.15 % Cbeta Deviations : 0.31 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.29 % Twisted Proline : 4.00 % Twisted General : 3.75 % 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: -6.81 (0.07), residues: 8464 helix: -4.49 (0.04), residues: 4544 sheet: -4.30 (0.17), residues: 528 loop : -4.40 (0.10), residues: 3392 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.045 0.010 TRP N 341 HIS 0.029 0.009 HIS J 470 PHE 0.081 0.010 PHE H 256 TYR 0.080 0.010 TYR J 123 ARG 0.029 0.004 ARG J 82 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 16928 Ramachandran restraints generated. 8464 Oldfield, 0 Emsley, 8464 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 16928 Ramachandran restraints generated. 8464 Oldfield, 0 Emsley, 8464 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3361 residues out of total 8256 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2483 poor density : 878 time to evaluate : 7.462 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 74 GLN cc_start: 0.9460 (OUTLIER) cc_final: 0.9094 (tp40) REVERT: A 86 LYS cc_start: 0.9216 (OUTLIER) cc_final: 0.9009 (mtpp) REVERT: A 131 TYR cc_start: 0.9522 (OUTLIER) cc_final: 0.8901 (t80) REVERT: A 157 LYS cc_start: 0.6129 (OUTLIER) cc_final: 0.3608 (mtmm) REVERT: A 178 ILE cc_start: 0.9656 (OUTLIER) cc_final: 0.9454 (mm) REVERT: A 210 ARG cc_start: 0.8609 (OUTLIER) cc_final: 0.7888 (tmm160) REVERT: A 341 TRP cc_start: 0.7871 (t60) cc_final: 0.7615 (t60) REVERT: A 446 HIS cc_start: 0.9276 (OUTLIER) cc_final: 0.9030 (m-70) REVERT: A 462 TYR cc_start: 0.5910 (OUTLIER) cc_final: 0.5568 (m-10) REVERT: A 488 ARG cc_start: 0.4716 (OUTLIER) cc_final: 0.3958 (mtt-85) REVERT: A 543 LEU cc_start: 0.8316 (OUTLIER) cc_final: 0.8102 (mp) REVERT: C 12 TYR cc_start: 0.9315 (OUTLIER) cc_final: 0.8832 (t80) REVERT: C 33 GLN cc_start: 0.8111 (OUTLIER) cc_final: 0.6829 (pp30) REVERT: C 110 ARG cc_start: 0.9459 (OUTLIER) cc_final: 0.8482 (ttm-80) REVERT: C 146 ASN cc_start: 0.9163 (OUTLIER) cc_final: 0.8957 (p0) REVERT: C 186 CYS cc_start: 0.8396 (OUTLIER) cc_final: 0.7855 (t) REVERT: C 195 MET cc_start: 0.8986 (tpp) cc_final: 0.8692 (tpp) REVERT: C 199 LEU cc_start: 0.9681 (OUTLIER) cc_final: 0.9468 (tp) REVERT: C 319 THR cc_start: 0.9183 (OUTLIER) cc_final: 0.8929 (m) REVERT: C 371 ARG cc_start: 0.7360 (OUTLIER) cc_final: 0.6402 (mmm160) REVERT: C 397 ASP cc_start: 0.7103 (OUTLIER) cc_final: 0.6523 (t0) REVERT: C 429 LEU cc_start: 0.9028 (tt) cc_final: 0.8800 (tt) REVERT: C 462 TYR cc_start: 0.5784 (OUTLIER) cc_final: 0.4385 (m-10) REVERT: C 574 PHE cc_start: 0.7940 (t80) cc_final: 0.7514 (t80) REVERT: C 576 GLU cc_start: 0.6807 (OUTLIER) cc_final: 0.6514 (mp0) REVERT: D 74 GLN cc_start: 0.9461 (OUTLIER) cc_final: 0.9096 (tp40) REVERT: D 86 LYS cc_start: 0.9214 (OUTLIER) cc_final: 0.9008 (mtpp) REVERT: D 131 TYR cc_start: 0.9530 (OUTLIER) cc_final: 0.8866 (t80) REVERT: D 210 ARG cc_start: 0.8610 (OUTLIER) cc_final: 0.7886 (tmm160) REVERT: D 267 ARG cc_start: 0.9191 (OUTLIER) cc_final: 0.8001 (ttp-110) REVERT: D 341 TRP cc_start: 0.7831 (t60) cc_final: 0.7562 (t60) REVERT: D 446 HIS cc_start: 0.9272 (OUTLIER) cc_final: 0.9033 (m-70) REVERT: D 462 TYR cc_start: 0.5949 (OUTLIER) cc_final: 0.5580 (m-10) REVERT: D 488 ARG cc_start: 0.4725 (OUTLIER) cc_final: 0.3958 (mtt-85) REVERT: D 543 LEU cc_start: 0.8327 (OUTLIER) cc_final: 0.8110 (mp) REVERT: E 12 TYR cc_start: 0.9316 (OUTLIER) cc_final: 0.8830 (t80) REVERT: E 33 GLN cc_start: 0.8444 (OUTLIER) cc_final: 0.7862 (pt0) REVERT: E 110 ARG cc_start: 0.9471 (OUTLIER) cc_final: 0.8507 (ttm-80) REVERT: E 146 ASN cc_start: 0.9175 (OUTLIER) cc_final: 0.8969 (p0) REVERT: E 186 CYS cc_start: 0.8368 (OUTLIER) cc_final: 0.7849 (t) REVERT: E 195 MET cc_start: 0.8989 (tpp) cc_final: 0.8685 (tpp) REVERT: E 199 LEU cc_start: 0.9679 (OUTLIER) cc_final: 0.9473 (tp) REVERT: E 319 THR cc_start: 0.9181 (OUTLIER) cc_final: 0.8937 (m) REVERT: E 371 ARG cc_start: 0.7359 (OUTLIER) cc_final: 0.6421 (mmm160) REVERT: E 397 ASP cc_start: 0.7110 (OUTLIER) cc_final: 0.6537 (t0) REVERT: E 429 LEU cc_start: 0.9030 (tt) cc_final: 0.8799 (tt) REVERT: E 462 TYR cc_start: 0.5785 (OUTLIER) cc_final: 0.4384 (m-10) REVERT: E 574 PHE cc_start: 0.7949 (t80) cc_final: 0.7516 (t80) REVERT: E 576 GLU cc_start: 0.6811 (OUTLIER) cc_final: 0.6519 (mp0) REVERT: F 74 GLN cc_start: 0.9468 (OUTLIER) cc_final: 0.9105 (tp40) REVERT: F 75 LYS cc_start: 0.9280 (OUTLIER) cc_final: 0.9021 (mtmm) REVERT: F 86 LYS cc_start: 0.9220 (OUTLIER) cc_final: 0.9001 (mtpp) REVERT: F 127 ARG cc_start: 0.9295 (OUTLIER) cc_final: 0.8512 (mtp180) REVERT: F 131 TYR cc_start: 0.9528 (OUTLIER) cc_final: 0.8901 (t80) REVERT: F 210 ARG cc_start: 0.8604 (OUTLIER) cc_final: 0.7882 (tmm160) REVERT: F 267 ARG cc_start: 0.9191 (OUTLIER) cc_final: 0.7998 (ttp-110) REVERT: F 341 TRP cc_start: 0.7831 (t60) cc_final: 0.7561 (t60) REVERT: F 446 HIS cc_start: 0.9269 (OUTLIER) cc_final: 0.9032 (m-70) REVERT: F 462 TYR cc_start: 0.5946 (OUTLIER) cc_final: 0.5565 (m-10) REVERT: F 488 ARG cc_start: 0.4726 (OUTLIER) cc_final: 0.3957 (mtt-85) REVERT: F 543 LEU cc_start: 0.8331 (OUTLIER) cc_final: 0.8119 (mp) REVERT: G 12 TYR cc_start: 0.9318 (OUTLIER) cc_final: 0.8825 (t80) REVERT: G 33 GLN cc_start: 0.8447 (OUTLIER) cc_final: 0.7862 (pt0) REVERT: G 110 ARG cc_start: 0.9462 (OUTLIER) cc_final: 0.8476 (ttm-80) REVERT: G 146 ASN cc_start: 0.9174 (OUTLIER) cc_final: 0.8965 (p0) REVERT: G 173 LYS cc_start: 0.9480 (OUTLIER) cc_final: 0.9233 (tppt) REVERT: G 186 CYS cc_start: 0.8180 (OUTLIER) cc_final: 0.7718 (t) REVERT: G 195 MET cc_start: 0.8994 (tpp) cc_final: 0.8673 (tpp) REVERT: G 199 LEU cc_start: 0.9687 (OUTLIER) cc_final: 0.9471 (tp) REVERT: G 319 THR cc_start: 0.9189 (OUTLIER) cc_final: 0.8937 (m) REVERT: G 371 ARG cc_start: 0.7362 (OUTLIER) cc_final: 0.6423 (mmm160) REVERT: G 397 ASP cc_start: 0.7107 (OUTLIER) cc_final: 0.6530 (t0) REVERT: G 429 LEU cc_start: 0.9029 (tt) cc_final: 0.8803 (tt) REVERT: G 439 LEU cc_start: 0.8949 (mp) cc_final: 0.8744 (mp) REVERT: G 462 TYR cc_start: 0.5777 (OUTLIER) cc_final: 0.4376 (m-10) REVERT: G 574 PHE cc_start: 0.7946 (t80) cc_final: 0.7515 (t80) REVERT: G 576 GLU cc_start: 0.6806 (OUTLIER) cc_final: 0.6512 (mp0) REVERT: H 74 GLN cc_start: 0.9466 (OUTLIER) cc_final: 0.9102 (tp40) REVERT: H 75 LYS cc_start: 0.9281 (OUTLIER) cc_final: 0.9022 (mtmm) REVERT: H 86 LYS cc_start: 0.9214 (OUTLIER) cc_final: 0.9005 (mtpp) REVERT: H 127 ARG cc_start: 0.9297 (OUTLIER) cc_final: 0.8387 (mtp180) REVERT: H 131 TYR cc_start: 0.9532 (OUTLIER) cc_final: 0.8862 (t80) REVERT: H 210 ARG cc_start: 0.8600 (OUTLIER) cc_final: 0.7885 (tmm160) REVERT: H 267 ARG cc_start: 0.9193 (OUTLIER) cc_final: 0.8004 (ttp-110) REVERT: H 341 TRP cc_start: 0.7827 (t60) cc_final: 0.7556 (t60) REVERT: H 446 HIS cc_start: 0.9271 (OUTLIER) cc_final: 0.9032 (m-70) REVERT: H 462 TYR cc_start: 0.5963 (OUTLIER) cc_final: 0.5583 (m-10) REVERT: H 488 ARG cc_start: 0.4731 (OUTLIER) cc_final: 0.3956 (mtt-85) REVERT: H 543 LEU cc_start: 0.8330 (OUTLIER) cc_final: 0.8110 (mp) REVERT: I 12 TYR cc_start: 0.9314 (OUTLIER) cc_final: 0.8828 (t80) REVERT: I 33 GLN cc_start: 0.8448 (OUTLIER) cc_final: 0.7858 (pt0) REVERT: I 110 ARG cc_start: 0.9459 (OUTLIER) cc_final: 0.8481 (ttm-80) REVERT: I 146 ASN cc_start: 0.9177 (OUTLIER) cc_final: 0.8963 (p0) REVERT: I 186 CYS cc_start: 0.8174 (OUTLIER) cc_final: 0.7695 (t) REVERT: I 195 MET cc_start: 0.9000 (tpp) cc_final: 0.8681 (tpp) REVERT: I 199 LEU cc_start: 0.9686 (OUTLIER) cc_final: 0.9466 (tp) REVERT: I 319 THR cc_start: 0.9187 (OUTLIER) cc_final: 0.8935 (m) REVERT: I 371 ARG cc_start: 0.7356 (OUTLIER) cc_final: 0.6427 (mmm160) REVERT: I 397 ASP cc_start: 0.7111 (OUTLIER) cc_final: 0.6536 (t0) REVERT: I 439 LEU cc_start: 0.8951 (mp) cc_final: 0.8747 (mp) REVERT: I 462 TYR cc_start: 0.5778 (OUTLIER) cc_final: 0.4372 (m-10) REVERT: I 574 PHE cc_start: 0.7949 (t80) cc_final: 0.7515 (t80) REVERT: I 576 GLU cc_start: 0.6802 (OUTLIER) cc_final: 0.6516 (mp0) REVERT: J 74 GLN cc_start: 0.9459 (OUTLIER) cc_final: 0.9096 (tp40) REVERT: J 86 LYS cc_start: 0.9210 (OUTLIER) cc_final: 0.9002 (mtpp) REVERT: J 110 ARG cc_start: 0.9461 (OUTLIER) cc_final: 0.9030 (ttm-80) REVERT: J 127 ARG cc_start: 0.9302 (OUTLIER) cc_final: 0.8943 (mtm110) REVERT: J 131 TYR cc_start: 0.9532 (OUTLIER) cc_final: 0.8902 (t80) REVERT: J 210 ARG cc_start: 0.8604 (OUTLIER) cc_final: 0.7887 (tmm160) REVERT: J 267 ARG cc_start: 0.9152 (OUTLIER) cc_final: 0.8086 (ttp-110) REVERT: J 341 TRP cc_start: 0.7832 (t60) cc_final: 0.7568 (t60) REVERT: J 446 HIS cc_start: 0.9276 (OUTLIER) cc_final: 0.9030 (m-70) REVERT: J 462 TYR cc_start: 0.5941 (OUTLIER) cc_final: 0.5557 (m-10) REVERT: J 488 ARG cc_start: 0.4723 (OUTLIER) cc_final: 0.3961 (mtt-85) REVERT: J 543 LEU cc_start: 0.8330 (OUTLIER) cc_final: 0.8116 (mp) REVERT: K 12 TYR cc_start: 0.9335 (OUTLIER) cc_final: 0.8862 (t80) REVERT: K 33 GLN cc_start: 0.8439 (OUTLIER) cc_final: 0.7862 (pt0) REVERT: K 89 MET cc_start: 0.8590 (tpt) cc_final: 0.8323 (tpt) REVERT: K 110 ARG cc_start: 0.9454 (OUTLIER) cc_final: 0.8477 (ttm-80) REVERT: K 146 ASN cc_start: 0.9166 (OUTLIER) cc_final: 0.8962 (p0) REVERT: K 186 CYS cc_start: 0.8380 (OUTLIER) cc_final: 0.7837 (t) REVERT: K 195 MET cc_start: 0.8989 (tpp) cc_final: 0.8676 (tpp) REVERT: K 199 LEU cc_start: 0.9677 (OUTLIER) cc_final: 0.9471 (tp) REVERT: K 319 THR cc_start: 0.9173 (OUTLIER) cc_final: 0.8928 (m) REVERT: K 371 ARG cc_start: 0.7349 (OUTLIER) cc_final: 0.6415 (mmm160) REVERT: K 397 ASP cc_start: 0.7100 (OUTLIER) cc_final: 0.6523 (t0) REVERT: K 429 LEU cc_start: 0.9025 (tt) cc_final: 0.8812 (tt) REVERT: K 462 TYR cc_start: 0.5792 (OUTLIER) cc_final: 0.4395 (m-10) REVERT: K 574 PHE cc_start: 0.7942 (t80) cc_final: 0.7509 (t80) REVERT: K 576 GLU cc_start: 0.6803 (OUTLIER) cc_final: 0.6511 (mp0) REVERT: L 74 GLN cc_start: 0.9462 (OUTLIER) cc_final: 0.9091 (tp40) REVERT: L 86 LYS cc_start: 0.9212 (OUTLIER) cc_final: 0.8992 (mtpp) REVERT: L 110 ARG cc_start: 0.9461 (OUTLIER) cc_final: 0.9042 (ttm-80) REVERT: L 127 ARG cc_start: 0.9308 (OUTLIER) cc_final: 0.8961 (mtm110) REVERT: L 131 TYR cc_start: 0.9541 (OUTLIER) cc_final: 0.8911 (t80) REVERT: L 210 ARG cc_start: 0.8607 (OUTLIER) cc_final: 0.7894 (tmm160) REVERT: L 267 ARG cc_start: 0.9272 (OUTLIER) cc_final: 0.8190 (ttp-110) REVERT: L 341 TRP cc_start: 0.7828 (t60) cc_final: 0.7561 (t60) REVERT: L 446 HIS cc_start: 0.9267 (OUTLIER) cc_final: 0.9028 (m-70) REVERT: L 462 TYR cc_start: 0.5961 (OUTLIER) cc_final: 0.5555 (m-10) REVERT: L 488 ARG cc_start: 0.4725 (OUTLIER) cc_final: 0.3962 (mtt-85) REVERT: L 543 LEU cc_start: 0.8328 (OUTLIER) cc_final: 0.8110 (mp) REVERT: M 12 TYR cc_start: 0.9334 (OUTLIER) cc_final: 0.8864 (t80) REVERT: M 33 GLN cc_start: 0.8447 (OUTLIER) cc_final: 0.7869 (pt0) REVERT: M 89 MET cc_start: 0.8600 (tpt) cc_final: 0.8323 (tpt) REVERT: M 110 ARG cc_start: 0.9459 (OUTLIER) cc_final: 0.8476 (ttm-80) REVERT: M 127 ARG cc_start: 0.9270 (OUTLIER) cc_final: 0.9047 (mtp180) REVERT: M 146 ASN cc_start: 0.9166 (OUTLIER) cc_final: 0.8958 (p0) REVERT: M 186 CYS cc_start: 0.8204 (OUTLIER) cc_final: 0.7715 (t) REVERT: M 195 MET cc_start: 0.8991 (tpp) cc_final: 0.8680 (tpp) REVERT: M 199 LEU cc_start: 0.9685 (OUTLIER) cc_final: 0.9468 (tp) REVERT: M 319 THR cc_start: 0.9180 (OUTLIER) cc_final: 0.8941 (m) REVERT: M 371 ARG cc_start: 0.7350 (OUTLIER) cc_final: 0.6417 (mmm160) REVERT: M 397 ASP cc_start: 0.7107 (OUTLIER) cc_final: 0.6537 (t0) REVERT: M 439 LEU cc_start: 0.8955 (mp) cc_final: 0.8752 (mp) REVERT: M 462 TYR cc_start: 0.5792 (OUTLIER) cc_final: 0.4387 (m-10) REVERT: M 574 PHE cc_start: 0.7939 (t80) cc_final: 0.7509 (t80) REVERT: M 576 GLU cc_start: 0.6793 (OUTLIER) cc_final: 0.6495 (mp0) REVERT: N 74 GLN cc_start: 0.9465 (OUTLIER) cc_final: 0.9094 (tp40) REVERT: N 86 LYS cc_start: 0.9212 (OUTLIER) cc_final: 0.8983 (mtpp) REVERT: N 110 ARG cc_start: 0.9458 (OUTLIER) cc_final: 0.9041 (ttm-80) REVERT: N 131 TYR cc_start: 0.9539 (OUTLIER) cc_final: 0.8863 (t80) REVERT: N 210 ARG cc_start: 0.8601 (OUTLIER) cc_final: 0.7884 (tmm160) REVERT: N 267 ARG cc_start: 0.9276 (OUTLIER) cc_final: 0.8197 (ttp-110) REVERT: N 341 TRP cc_start: 0.7829 (t60) cc_final: 0.7556 (t60) REVERT: N 446 HIS cc_start: 0.9267 (OUTLIER) cc_final: 0.9027 (m-70) REVERT: N 462 TYR cc_start: 0.5954 (OUTLIER) cc_final: 0.5571 (m-10) REVERT: N 488 ARG cc_start: 0.4723 (OUTLIER) cc_final: 0.3961 (mtt-85) REVERT: N 543 LEU cc_start: 0.8329 (OUTLIER) cc_final: 0.8110 (mp) REVERT: O 12 TYR cc_start: 0.9336 (OUTLIER) cc_final: 0.8862 (t80) REVERT: O 33 GLN cc_start: 0.8446 (OUTLIER) cc_final: 0.7874 (pt0) REVERT: O 89 MET cc_start: 0.8599 (tpt) cc_final: 0.8330 (tpt) REVERT: O 110 ARG cc_start: 0.9466 (OUTLIER) cc_final: 0.8507 (ttm-80) REVERT: O 146 ASN cc_start: 0.9153 (OUTLIER) cc_final: 0.8947 (p0) REVERT: O 186 CYS cc_start: 0.8200 (OUTLIER) cc_final: 0.7700 (t) REVERT: O 195 MET cc_start: 0.9000 (tpp) cc_final: 0.8684 (tpp) REVERT: O 199 LEU cc_start: 0.9686 (OUTLIER) cc_final: 0.9474 (tp) REVERT: O 319 THR cc_start: 0.9184 (OUTLIER) cc_final: 0.8942 (m) REVERT: O 371 ARG cc_start: 0.7350 (OUTLIER) cc_final: 0.6400 (mmm160) REVERT: O 397 ASP cc_start: 0.7106 (OUTLIER) cc_final: 0.6536 (t0) REVERT: O 439 LEU cc_start: 0.8954 (mp) cc_final: 0.8752 (mp) REVERT: O 462 TYR cc_start: 0.5796 (OUTLIER) cc_final: 0.4393 (m-10) REVERT: O 574 PHE cc_start: 0.7942 (t80) cc_final: 0.7510 (t80) REVERT: O 576 GLU cc_start: 0.6795 (OUTLIER) cc_final: 0.6503 (mp0) REVERT: P 74 GLN cc_start: 0.9467 (OUTLIER) cc_final: 0.9103 (tp40) REVERT: P 75 LYS cc_start: 0.9283 (OUTLIER) cc_final: 0.9019 (mtmm) REVERT: P 86 LYS cc_start: 0.9215 (OUTLIER) cc_final: 0.8990 (mtpp) REVERT: P 110 ARG cc_start: 0.9464 (OUTLIER) cc_final: 0.9108 (ttm-80) REVERT: P 127 ARG cc_start: 0.9301 (OUTLIER) cc_final: 0.8391 (mtp180) REVERT: P 131 TYR cc_start: 0.9527 (OUTLIER) cc_final: 0.8878 (t80) REVERT: P 210 ARG cc_start: 0.8599 (OUTLIER) cc_final: 0.7884 (tmm160) REVERT: P 267 ARG cc_start: 0.9279 (OUTLIER) cc_final: 0.8183 (ttp-110) REVERT: P 341 TRP cc_start: 0.7832 (t60) cc_final: 0.7560 (t60) REVERT: P 446 HIS cc_start: 0.9268 (OUTLIER) cc_final: 0.9033 (m-70) REVERT: P 462 TYR cc_start: 0.5946 (OUTLIER) cc_final: 0.5569 (m-10) REVERT: P 488 ARG cc_start: 0.4726 (OUTLIER) cc_final: 0.3964 (mtt-85) REVERT: P 543 LEU cc_start: 0.8329 (OUTLIER) cc_final: 0.8117 (mp) REVERT: Q 12 TYR cc_start: 0.9334 (OUTLIER) cc_final: 0.8866 (t80) REVERT: Q 33 GLN cc_start: 0.8443 (OUTLIER) cc_final: 0.7866 (pt0) REVERT: Q 89 MET cc_start: 0.8606 (tpt) cc_final: 0.8342 (tpt) REVERT: Q 110 ARG cc_start: 0.9469 (OUTLIER) cc_final: 0.8503 (ttm-80) REVERT: Q 146 ASN cc_start: 0.9159 (OUTLIER) cc_final: 0.8943 (p0) REVERT: Q 186 CYS cc_start: 0.8221 (OUTLIER) cc_final: 0.7729 (t) REVERT: Q 195 MET cc_start: 0.8992 (tpp) cc_final: 0.8670 (tpp) REVERT: Q 199 LEU cc_start: 0.9683 (OUTLIER) cc_final: 0.9471 (tp) REVERT: Q 319 THR cc_start: 0.9204 (OUTLIER) cc_final: 0.8970 (m) REVERT: Q 371 ARG cc_start: 0.7354 (OUTLIER) cc_final: 0.6409 (mmm160) REVERT: Q 397 ASP cc_start: 0.7107 (OUTLIER) cc_final: 0.6524 (t0) REVERT: Q 429 LEU cc_start: 0.9027 (tt) cc_final: 0.8800 (tt) REVERT: Q 439 LEU cc_start: 0.8959 (mp) cc_final: 0.8758 (mp) REVERT: Q 462 TYR cc_start: 0.5799 (OUTLIER) cc_final: 0.4398 (m-10) REVERT: Q 574 PHE cc_start: 0.7937 (t80) cc_final: 0.7506 (t80) REVERT: Q 576 GLU cc_start: 0.6799 (OUTLIER) cc_final: 0.6505 (mp0) outliers start: 2483 outliers final: 1597 residues processed: 3150 average time/residue: 0.8851 time to fit residues: 4886.9965 Evaluate side-chains 2605 residues out of total 8256 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1772 poor density : 833 time to evaluate : 7.396 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 12 TYR Chi-restraints excluded: chain A residue 13 LYS Chi-restraints excluded: chain A residue 19 PHE Chi-restraints excluded: chain A residue 25 ASP Chi-restraints excluded: chain A residue 34 ASP Chi-restraints excluded: chain A residue 38 SER Chi-restraints excluded: chain A residue 39 ILE Chi-restraints excluded: chain A residue 40 LEU Chi-restraints excluded: chain A residue 41 SER Chi-restraints excluded: chain A residue 46 ASP Chi-restraints excluded: chain A residue 51 SER Chi-restraints excluded: chain A residue 58 THR Chi-restraints excluded: chain A residue 74 GLN Chi-restraints excluded: chain A residue 81 LEU Chi-restraints excluded: chain A residue 82 ARG Chi-restraints excluded: chain A residue 86 LYS Chi-restraints excluded: chain A residue 92 ILE Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 124 ASN Chi-restraints excluded: chain A residue 126 SER Chi-restraints excluded: chain A residue 131 TYR Chi-restraints excluded: chain A residue 135 ARG Chi-restraints excluded: chain A residue 141 LEU Chi-restraints excluded: chain A residue 153 LEU Chi-restraints excluded: chain A residue 157 LYS Chi-restraints excluded: chain A residue 158 THR Chi-restraints excluded: chain A residue 162 LEU Chi-restraints excluded: chain A residue 164 VAL Chi-restraints excluded: chain A residue 166 LEU Chi-restraints excluded: chain A residue 178 ILE Chi-restraints excluded: chain A residue 179 PHE Chi-restraints excluded: chain A residue 186 CYS Chi-restraints excluded: chain A residue 199 LEU Chi-restraints excluded: chain A residue 203 ILE Chi-restraints excluded: chain A residue 204 ASP Chi-restraints excluded: chain A residue 208 THR Chi-restraints excluded: chain A residue 210 ARG Chi-restraints excluded: chain A residue 214 SER Chi-restraints excluded: chain A residue 218 LYS Chi-restraints excluded: chain A residue 219 LEU Chi-restraints excluded: chain A residue 221 ILE Chi-restraints excluded: chain A residue 234 SER Chi-restraints excluded: chain A residue 239 ASN Chi-restraints excluded: chain A residue 242 LEU Chi-restraints excluded: chain A residue 246 ASN Chi-restraints excluded: chain A residue 254 ASN Chi-restraints excluded: chain A residue 256 PHE Chi-restraints excluded: chain A residue 258 LEU Chi-restraints excluded: chain A residue 266 THR Chi-restraints excluded: chain A residue 271 VAL Chi-restraints excluded: chain A residue 273 ASP Chi-restraints excluded: chain A residue 275 LEU Chi-restraints excluded: chain A residue 279 THR Chi-restraints excluded: chain A residue 280 THR Chi-restraints excluded: chain A residue 281 THR Chi-restraints excluded: chain A residue 284 SER Chi-restraints excluded: chain A residue 288 HIS Chi-restraints excluded: chain A residue 292 LEU Chi-restraints excluded: chain A residue 293 THR Chi-restraints excluded: chain A residue 297 VAL Chi-restraints excluded: chain A residue 306 ASP Chi-restraints excluded: chain A residue 307 CYS Chi-restraints excluded: chain A residue 322 ARG Chi-restraints excluded: chain A residue 330 SER Chi-restraints excluded: chain A residue 333 ASP Chi-restraints excluded: chain A residue 339 ASP Chi-restraints excluded: chain A residue 349 LEU Chi-restraints excluded: chain A residue 351 THR Chi-restraints excluded: chain A residue 352 ILE Chi-restraints excluded: chain A residue 353 ILE Chi-restraints excluded: chain A residue 355 SER Chi-restraints excluded: chain A residue 359 VAL Chi-restraints excluded: chain A residue 365 TYR Chi-restraints excluded: chain A residue 367 LYS Chi-restraints excluded: chain A residue 370 ASP Chi-restraints excluded: chain A residue 378 SER Chi-restraints excluded: chain A residue 381 ILE Chi-restraints excluded: chain A residue 383 THR Chi-restraints excluded: chain A residue 384 ILE Chi-restraints excluded: chain A residue 385 LEU Chi-restraints excluded: chain A residue 387 SER Chi-restraints excluded: chain A residue 398 VAL Chi-restraints excluded: chain A residue 400 VAL Chi-restraints excluded: chain A residue 406 HIS Chi-restraints excluded: chain A residue 407 LYS Chi-restraints excluded: chain A residue 413 LYS Chi-restraints excluded: chain A residue 421 SER Chi-restraints excluded: chain A residue 431 VAL Chi-restraints excluded: chain A residue 441 ARG Chi-restraints excluded: chain A residue 446 HIS Chi-restraints excluded: chain A residue 452 THR Chi-restraints excluded: chain A residue 457 ASP Chi-restraints excluded: chain A residue 462 TYR Chi-restraints excluded: chain A residue 471 ILE Chi-restraints excluded: chain A residue 478 ILE Chi-restraints excluded: chain A residue 479 GLU Chi-restraints excluded: chain A residue 488 ARG Chi-restraints excluded: chain A residue 501 ILE Chi-restraints excluded: chain A residue 528 ILE Chi-restraints excluded: chain A residue 532 ASP Chi-restraints excluded: chain A residue 536 GLU Chi-restraints excluded: chain A residue 539 VAL Chi-restraints excluded: chain A residue 543 LEU Chi-restraints excluded: chain A residue 544 ASP Chi-restraints excluded: chain A residue 549 ILE Chi-restraints excluded: chain A residue 564 ILE Chi-restraints excluded: chain A residue 567 MET Chi-restraints excluded: chain A residue 570 ASP Chi-restraints excluded: chain A residue 576 GLU Chi-restraints excluded: chain A residue 582 GLN Chi-restraints excluded: chain C residue 11 GLN Chi-restraints excluded: chain C residue 12 TYR Chi-restraints excluded: chain C residue 13 LYS Chi-restraints excluded: chain C residue 19 PHE Chi-restraints excluded: chain C residue 25 ASP Chi-restraints excluded: chain C residue 26 ASN Chi-restraints excluded: chain C residue 33 GLN Chi-restraints excluded: chain C residue 38 SER Chi-restraints excluded: chain C residue 39 ILE Chi-restraints excluded: chain C residue 41 SER Chi-restraints excluded: chain C residue 44 GLU Chi-restraints excluded: chain C residue 45 ILE Chi-restraints excluded: chain C residue 48 ILE Chi-restraints excluded: chain C residue 51 SER Chi-restraints excluded: chain C residue 58 THR Chi-restraints excluded: chain C residue 66 LEU Chi-restraints excluded: chain C residue 75 LYS Chi-restraints excluded: chain C residue 80 VAL Chi-restraints excluded: chain C residue 81 LEU Chi-restraints excluded: chain C residue 82 ARG Chi-restraints excluded: chain C residue 92 ILE Chi-restraints excluded: chain C residue 94 THR Chi-restraints excluded: chain C residue 103 THR Chi-restraints excluded: chain C residue 107 ILE Chi-restraints excluded: chain C residue 110 ARG Chi-restraints excluded: chain C residue 131 TYR Chi-restraints excluded: chain C residue 139 LEU Chi-restraints excluded: chain C residue 141 LEU Chi-restraints excluded: chain C residue 146 ASN Chi-restraints excluded: chain C residue 153 LEU Chi-restraints excluded: chain C residue 157 LYS Chi-restraints excluded: chain C residue 158 THR Chi-restraints excluded: chain C residue 186 CYS Chi-restraints excluded: chain C residue 188 SER Chi-restraints excluded: chain C residue 191 THR Chi-restraints excluded: chain C residue 199 LEU Chi-restraints excluded: chain C residue 204 ASP Chi-restraints excluded: chain C residue 208 THR Chi-restraints excluded: chain C residue 210 ARG Chi-restraints excluded: chain C residue 214 SER Chi-restraints excluded: chain C residue 219 LEU Chi-restraints excluded: chain C residue 221 ILE Chi-restraints excluded: chain C residue 234 SER Chi-restraints excluded: chain C residue 239 ASN Chi-restraints excluded: chain C residue 241 LEU Chi-restraints excluded: chain C residue 242 LEU Chi-restraints excluded: chain C residue 246 ASN Chi-restraints excluded: chain C residue 258 LEU Chi-restraints excluded: chain C residue 262 ILE Chi-restraints excluded: chain C residue 266 THR Chi-restraints excluded: chain C residue 273 ASP Chi-restraints excluded: chain C residue 279 THR Chi-restraints excluded: chain C residue 280 THR Chi-restraints excluded: chain C residue 281 THR Chi-restraints excluded: chain C residue 284 SER Chi-restraints excluded: chain C residue 288 HIS Chi-restraints excluded: chain C residue 292 LEU Chi-restraints excluded: chain C residue 293 THR Chi-restraints excluded: chain C residue 305 LEU Chi-restraints excluded: chain C residue 307 CYS Chi-restraints excluded: chain C residue 319 THR Chi-restraints excluded: chain C residue 321 PRO Chi-restraints excluded: chain C residue 323 ARG Chi-restraints excluded: chain C residue 324 LEU Chi-restraints excluded: chain C residue 325 SER Chi-restraints excluded: chain C residue 330 SER Chi-restraints excluded: chain C residue 333 ASP Chi-restraints excluded: chain C residue 342 LYS Chi-restraints excluded: chain C residue 351 THR Chi-restraints excluded: chain C residue 352 ILE Chi-restraints excluded: chain C residue 353 ILE Chi-restraints excluded: chain C residue 355 SER Chi-restraints excluded: chain C residue 359 VAL Chi-restraints excluded: chain C residue 361 GLU Chi-restraints excluded: chain C residue 367 LYS Chi-restraints excluded: chain C residue 370 ASP Chi-restraints excluded: chain C residue 371 ARG Chi-restraints excluded: chain C residue 373 SER Chi-restraints excluded: chain C residue 383 THR Chi-restraints excluded: chain C residue 384 ILE Chi-restraints excluded: chain C residue 385 LEU Chi-restraints excluded: chain C residue 387 SER Chi-restraints excluded: chain C residue 397 ASP Chi-restraints excluded: chain C residue 406 HIS Chi-restraints excluded: chain C residue 425 ILE Chi-restraints excluded: chain C residue 431 VAL Chi-restraints excluded: chain C residue 443 ILE Chi-restraints excluded: chain C residue 452 THR Chi-restraints excluded: chain C residue 462 TYR Chi-restraints excluded: chain C residue 471 ILE Chi-restraints excluded: chain C residue 478 ILE Chi-restraints excluded: chain C residue 479 GLU Chi-restraints excluded: chain C residue 494 PHE Chi-restraints excluded: chain C residue 501 ILE Chi-restraints excluded: chain C residue 528 ILE Chi-restraints excluded: chain C residue 532 ASP Chi-restraints excluded: chain C residue 536 GLU Chi-restraints excluded: chain C residue 539 VAL Chi-restraints excluded: chain C residue 544 ASP Chi-restraints excluded: chain C residue 562 LEU Chi-restraints excluded: chain C residue 564 ILE Chi-restraints excluded: chain C residue 570 ASP Chi-restraints excluded: chain C residue 576 GLU Chi-restraints excluded: chain C residue 582 GLN Chi-restraints excluded: chain D residue 12 TYR Chi-restraints excluded: chain D residue 13 LYS Chi-restraints excluded: chain D residue 19 PHE Chi-restraints excluded: chain D residue 25 ASP Chi-restraints excluded: chain D residue 34 ASP Chi-restraints excluded: chain D residue 38 SER Chi-restraints excluded: chain D residue 39 ILE Chi-restraints excluded: chain D residue 40 LEU Chi-restraints excluded: chain D residue 41 SER Chi-restraints excluded: chain D residue 46 ASP Chi-restraints excluded: chain D residue 51 SER Chi-restraints excluded: chain D residue 58 THR Chi-restraints excluded: chain D residue 74 GLN Chi-restraints excluded: chain D residue 81 LEU Chi-restraints excluded: chain D residue 82 ARG Chi-restraints excluded: chain D residue 86 LYS Chi-restraints excluded: chain D residue 92 ILE Chi-restraints excluded: chain D residue 107 ILE Chi-restraints excluded: chain D residue 118 GLN Chi-restraints excluded: chain D residue 124 ASN Chi-restraints excluded: chain D residue 127 ARG Chi-restraints excluded: chain D residue 131 TYR Chi-restraints excluded: chain D residue 135 ARG Chi-restraints excluded: chain D residue 141 LEU Chi-restraints excluded: chain D residue 157 LYS Chi-restraints excluded: chain D residue 158 THR Chi-restraints excluded: chain D residue 162 LEU Chi-restraints excluded: chain D residue 164 VAL Chi-restraints excluded: chain D residue 166 LEU Chi-restraints excluded: chain D residue 179 PHE Chi-restraints excluded: chain D residue 186 CYS Chi-restraints excluded: chain D residue 199 LEU Chi-restraints excluded: chain D residue 203 ILE Chi-restraints excluded: chain D residue 204 ASP Chi-restraints excluded: chain D residue 208 THR Chi-restraints excluded: chain D residue 210 ARG Chi-restraints excluded: chain D residue 214 SER Chi-restraints excluded: chain D residue 218 LYS Chi-restraints excluded: chain D residue 219 LEU Chi-restraints excluded: chain D residue 221 ILE Chi-restraints excluded: chain D residue 234 SER Chi-restraints excluded: chain D residue 239 ASN Chi-restraints excluded: chain D residue 242 LEU Chi-restraints excluded: chain D residue 245 LEU Chi-restraints excluded: chain D residue 246 ASN Chi-restraints excluded: chain D residue 254 ASN Chi-restraints excluded: chain D residue 256 PHE Chi-restraints excluded: chain D residue 258 LEU Chi-restraints excluded: chain D residue 263 LEU Chi-restraints excluded: chain D residue 266 THR Chi-restraints excluded: chain D residue 267 ARG Chi-restraints excluded: chain D residue 271 VAL Chi-restraints excluded: chain D residue 273 ASP Chi-restraints excluded: chain D residue 275 LEU Chi-restraints excluded: chain D residue 279 THR Chi-restraints excluded: chain D residue 280 THR Chi-restraints excluded: chain D residue 281 THR Chi-restraints excluded: chain D residue 284 SER Chi-restraints excluded: chain D residue 288 HIS Chi-restraints excluded: chain D residue 292 LEU Chi-restraints excluded: chain D residue 293 THR Chi-restraints excluded: chain D residue 297 VAL Chi-restraints excluded: chain D residue 306 ASP Chi-restraints excluded: chain D residue 307 CYS Chi-restraints excluded: chain D residue 322 ARG Chi-restraints excluded: chain D residue 323 ARG Chi-restraints excluded: chain D residue 324 LEU Chi-restraints excluded: chain D residue 330 SER Chi-restraints excluded: chain D residue 333 ASP Chi-restraints excluded: chain D residue 339 ASP Chi-restraints excluded: chain D residue 349 LEU Chi-restraints excluded: chain D residue 351 THR Chi-restraints excluded: chain D residue 352 ILE Chi-restraints excluded: chain D residue 353 ILE Chi-restraints excluded: chain D residue 355 SER Chi-restraints excluded: chain D residue 359 VAL Chi-restraints excluded: chain D residue 365 TYR Chi-restraints excluded: chain D residue 367 LYS Chi-restraints excluded: chain D residue 370 ASP Chi-restraints excluded: chain D residue 378 SER Chi-restraints excluded: chain D residue 381 ILE Chi-restraints excluded: chain D residue 383 THR Chi-restraints excluded: chain D residue 384 ILE Chi-restraints excluded: chain D residue 385 LEU Chi-restraints excluded: chain D residue 387 SER Chi-restraints excluded: chain D residue 398 VAL Chi-restraints excluded: chain D residue 400 VAL Chi-restraints excluded: chain D residue 406 HIS Chi-restraints excluded: chain D residue 407 LYS Chi-restraints excluded: chain D residue 413 LYS Chi-restraints excluded: chain D residue 421 SER Chi-restraints excluded: chain D residue 431 VAL Chi-restraints excluded: chain D residue 441 ARG Chi-restraints excluded: chain D residue 446 HIS Chi-restraints excluded: chain D residue 452 THR Chi-restraints excluded: chain D residue 457 ASP Chi-restraints excluded: chain D residue 462 TYR Chi-restraints excluded: chain D residue 471 ILE Chi-restraints excluded: chain D residue 478 ILE Chi-restraints excluded: chain D residue 479 GLU Chi-restraints excluded: chain D residue 488 ARG Chi-restraints excluded: chain D residue 501 ILE Chi-restraints excluded: chain D residue 528 ILE Chi-restraints excluded: chain D residue 532 ASP Chi-restraints excluded: chain D residue 536 GLU Chi-restraints excluded: chain D residue 539 VAL Chi-restraints excluded: chain D residue 543 LEU Chi-restraints excluded: chain D residue 544 ASP Chi-restraints excluded: chain D residue 549 ILE Chi-restraints excluded: chain D residue 564 ILE Chi-restraints excluded: chain D residue 567 MET Chi-restraints excluded: chain D residue 570 ASP Chi-restraints excluded: chain D residue 576 GLU Chi-restraints excluded: chain D residue 582 GLN Chi-restraints excluded: chain E residue 11 GLN Chi-restraints excluded: chain E residue 12 TYR Chi-restraints excluded: chain E residue 13 LYS Chi-restraints excluded: chain E residue 19 PHE Chi-restraints excluded: chain E residue 25 ASP Chi-restraints excluded: chain E residue 26 ASN Chi-restraints excluded: chain E residue 33 GLN Chi-restraints excluded: chain E residue 34 ASP Chi-restraints excluded: chain E residue 35 MET Chi-restraints excluded: chain E residue 38 SER Chi-restraints excluded: chain E residue 39 ILE Chi-restraints excluded: chain E residue 41 SER Chi-restraints excluded: chain E residue 44 GLU Chi-restraints excluded: chain E residue 45 ILE Chi-restraints excluded: chain E residue 48 ILE Chi-restraints excluded: chain E residue 51 SER Chi-restraints excluded: chain E residue 58 THR Chi-restraints excluded: chain E residue 66 LEU Chi-restraints excluded: chain E residue 75 LYS Chi-restraints excluded: chain E residue 80 VAL Chi-restraints excluded: chain E residue 81 LEU Chi-restraints excluded: chain E residue 82 ARG Chi-restraints excluded: chain E residue 92 ILE Chi-restraints excluded: chain E residue 94 THR Chi-restraints excluded: chain E residue 103 THR Chi-restraints excluded: chain E residue 107 ILE Chi-restraints excluded: chain E residue 110 ARG Chi-restraints excluded: chain E residue 131 TYR Chi-restraints excluded: chain E residue 139 LEU Chi-restraints excluded: chain E residue 141 LEU Chi-restraints excluded: chain E residue 146 ASN Chi-restraints excluded: chain E residue 153 LEU Chi-restraints excluded: chain E residue 157 LYS Chi-restraints excluded: chain E residue 158 THR Chi-restraints excluded: chain E residue 186 CYS Chi-restraints excluded: chain E residue 188 SER Chi-restraints excluded: chain E residue 191 THR Chi-restraints excluded: chain E residue 199 LEU Chi-restraints excluded: chain E residue 204 ASP Chi-restraints excluded: chain E residue 208 THR Chi-restraints excluded: chain E residue 210 ARG Chi-restraints excluded: chain E residue 214 SER Chi-restraints excluded: chain E residue 219 LEU Chi-restraints excluded: chain E residue 221 ILE Chi-restraints excluded: chain E residue 234 SER Chi-restraints excluded: chain E residue 239 ASN Chi-restraints excluded: chain E residue 241 LEU Chi-restraints excluded: chain E residue 242 LEU Chi-restraints excluded: chain E residue 246 ASN Chi-restraints excluded: chain E residue 258 LEU Chi-restraints excluded: chain E residue 262 ILE Chi-restraints excluded: chain E residue 264 LEU Chi-restraints excluded: chain E residue 266 THR Chi-restraints excluded: chain E residue 273 ASP Chi-restraints excluded: chain E residue 279 THR Chi-restraints excluded: chain E residue 280 THR Chi-restraints excluded: chain E residue 281 THR Chi-restraints excluded: chain E residue 284 SER Chi-restraints excluded: chain E residue 288 HIS Chi-restraints excluded: chain E residue 292 LEU Chi-restraints excluded: chain E residue 293 THR Chi-restraints excluded: chain E residue 305 LEU Chi-restraints excluded: chain E residue 307 CYS Chi-restraints excluded: chain E residue 319 THR Chi-restraints excluded: chain E residue 321 PRO Chi-restraints excluded: chain E residue 323 ARG Chi-restraints excluded: chain E residue 324 LEU Chi-restraints excluded: chain E residue 325 SER Chi-restraints excluded: chain E residue 330 SER Chi-restraints excluded: chain E residue 333 ASP Chi-restraints excluded: chain E residue 342 LYS Chi-restraints excluded: chain E residue 351 THR Chi-restraints excluded: chain E residue 352 ILE Chi-restraints excluded: chain E residue 353 ILE Chi-restraints excluded: chain E residue 355 SER Chi-restraints excluded: chain E residue 359 VAL Chi-restraints excluded: chain E residue 361 GLU Chi-restraints excluded: chain E residue 367 LYS Chi-restraints excluded: chain E residue 370 ASP Chi-restraints excluded: chain E residue 371 ARG Chi-restraints excluded: chain E residue 373 SER Chi-restraints excluded: chain E residue 383 THR Chi-restraints excluded: chain E residue 384 ILE Chi-restraints excluded: chain E residue 385 LEU Chi-restraints excluded: chain E residue 387 SER Chi-restraints excluded: chain E residue 397 ASP Chi-restraints excluded: chain E residue 406 HIS Chi-restraints excluded: chain E residue 425 ILE Chi-restraints excluded: chain E residue 431 VAL Chi-restraints excluded: chain E residue 443 ILE Chi-restraints excluded: chain E residue 452 THR Chi-restraints excluded: chain E residue 462 TYR Chi-restraints excluded: chain E residue 471 ILE Chi-restraints excluded: chain E residue 478 ILE Chi-restraints excluded: chain E residue 479 GLU Chi-restraints excluded: chain E residue 494 PHE Chi-restraints excluded: chain E residue 501 ILE Chi-restraints excluded: chain E residue 528 ILE Chi-restraints excluded: chain E residue 532 ASP Chi-restraints excluded: chain E residue 536 GLU Chi-restraints excluded: chain E residue 539 VAL Chi-restraints excluded: chain E residue 544 ASP Chi-restraints excluded: chain E residue 562 LEU Chi-restraints excluded: chain E residue 564 ILE Chi-restraints excluded: chain E residue 570 ASP Chi-restraints excluded: chain E residue 576 GLU Chi-restraints excluded: chain E residue 582 GLN Chi-restraints excluded: chain F residue 12 TYR Chi-restraints excluded: chain F residue 13 LYS Chi-restraints excluded: chain F residue 19 PHE Chi-restraints excluded: chain F residue 25 ASP Chi-restraints excluded: chain F residue 34 ASP Chi-restraints excluded: chain F residue 38 SER Chi-restraints excluded: chain F residue 39 ILE Chi-restraints excluded: chain F residue 40 LEU Chi-restraints excluded: chain F residue 41 SER Chi-restraints excluded: chain F residue 46 ASP Chi-restraints excluded: chain F residue 51 SER Chi-restraints excluded: chain F residue 58 THR Chi-restraints excluded: chain F residue 74 GLN Chi-restraints excluded: chain F residue 75 LYS Chi-restraints excluded: chain F residue 81 LEU Chi-restraints excluded: chain F residue 82 ARG Chi-restraints excluded: chain F residue 86 LYS Chi-restraints excluded: chain F residue 87 PHE Chi-restraints excluded: chain F residue 92 ILE Chi-restraints excluded: chain F residue 107 ILE Chi-restraints excluded: chain F residue 118 GLN Chi-restraints excluded: chain F residue 124 ASN Chi-restraints excluded: chain F residue 127 ARG Chi-restraints excluded: chain F residue 131 TYR Chi-restraints excluded: chain F residue 135 ARG Chi-restraints excluded: chain F residue 141 LEU Chi-restraints excluded: chain F residue 153 LEU Chi-restraints excluded: chain F residue 157 LYS Chi-restraints excluded: chain F residue 158 THR Chi-restraints excluded: chain F residue 162 LEU Chi-restraints excluded: chain F residue 164 VAL Chi-restraints excluded: chain F residue 166 LEU Chi-restraints excluded: chain F residue 179 PHE Chi-restraints excluded: chain F residue 186 CYS Chi-restraints excluded: chain F residue 199 LEU Chi-restraints excluded: chain F residue 203 ILE Chi-restraints excluded: chain F residue 204 ASP Chi-restraints excluded: chain F residue 208 THR Chi-restraints excluded: chain F residue 210 ARG Chi-restraints excluded: chain F residue 214 SER Chi-restraints excluded: chain F residue 218 LYS Chi-restraints excluded: chain F residue 219 LEU Chi-restraints excluded: chain F residue 221 ILE Chi-restraints excluded: chain F residue 234 SER Chi-restraints excluded: chain F residue 239 ASN Chi-restraints excluded: chain F residue 242 LEU Chi-restraints excluded: chain F residue 245 LEU Chi-restraints excluded: chain F residue 254 ASN Chi-restraints excluded: chain F residue 256 PHE Chi-restraints excluded: chain F residue 258 LEU Chi-restraints excluded: chain F residue 266 THR Chi-restraints excluded: chain F residue 267 ARG Chi-restraints excluded: chain F residue 271 VAL Chi-restraints excluded: chain F residue 273 ASP Chi-restraints excluded: chain F residue 275 LEU Chi-restraints excluded: chain F residue 279 THR Chi-restraints excluded: chain F residue 280 THR Chi-restraints excluded: chain F residue 281 THR Chi-restraints excluded: chain F residue 284 SER Chi-restraints excluded: chain F residue 288 HIS Chi-restraints excluded: chain F residue 292 LEU Chi-restraints excluded: chain F residue 293 THR Chi-restraints excluded: chain F residue 297 VAL Chi-restraints excluded: chain F residue 306 ASP Chi-restraints excluded: chain F residue 307 CYS Chi-restraints excluded: chain F residue 322 ARG Chi-restraints excluded: chain F residue 323 ARG Chi-restraints excluded: chain F residue 324 LEU Chi-restraints excluded: chain F residue 330 SER Chi-restraints excluded: chain F residue 333 ASP Chi-restraints excluded: chain F residue 339 ASP Chi-restraints excluded: chain F residue 349 LEU Chi-restraints excluded: chain F residue 351 THR Chi-restraints excluded: chain F residue 352 ILE Chi-restraints excluded: chain F residue 353 ILE Chi-restraints excluded: chain F residue 355 SER Chi-restraints excluded: chain F residue 359 VAL Chi-restraints excluded: chain F residue 365 TYR Chi-restraints excluded: chain F residue 367 LYS Chi-restraints excluded: chain F residue 370 ASP Chi-restraints excluded: chain F residue 378 SER Chi-restraints excluded: chain F residue 381 ILE Chi-restraints excluded: chain F residue 383 THR Chi-restraints excluded: chain F residue 384 ILE Chi-restraints excluded: chain F residue 385 LEU Chi-restraints excluded: chain F residue 387 SER Chi-restraints excluded: chain F residue 398 VAL Chi-restraints excluded: chain F residue 400 VAL Chi-restraints excluded: chain F residue 406 HIS Chi-restraints excluded: chain F residue 407 LYS Chi-restraints excluded: chain F residue 413 LYS Chi-restraints excluded: chain F residue 421 SER Chi-restraints excluded: chain F residue 431 VAL Chi-restraints excluded: chain F residue 441 ARG Chi-restraints excluded: chain F residue 446 HIS Chi-restraints excluded: chain F residue 452 THR Chi-restraints excluded: chain F residue 457 ASP Chi-restraints excluded: chain F residue 462 TYR Chi-restraints excluded: chain F residue 471 ILE Chi-restraints excluded: chain F residue 478 ILE Chi-restraints excluded: chain F residue 479 GLU Chi-restraints excluded: chain F residue 488 ARG Chi-restraints excluded: chain F residue 501 ILE Chi-restraints excluded: chain F residue 528 ILE Chi-restraints excluded: chain F residue 532 ASP Chi-restraints excluded: chain F residue 536 GLU Chi-restraints excluded: chain F residue 539 VAL Chi-restraints excluded: chain F residue 543 LEU Chi-restraints excluded: chain F residue 544 ASP Chi-restraints excluded: chain F residue 549 ILE Chi-restraints excluded: chain F residue 564 ILE Chi-restraints excluded: chain F residue 567 MET Chi-restraints excluded: chain F residue 570 ASP Chi-restraints excluded: chain F residue 576 GLU Chi-restraints excluded: chain F residue 582 GLN Chi-restraints excluded: chain G residue 11 GLN Chi-restraints excluded: chain G residue 12 TYR Chi-restraints excluded: chain G residue 13 LYS Chi-restraints excluded: chain G residue 19 PHE Chi-restraints excluded: chain G residue 25 ASP Chi-restraints excluded: chain G residue 26 ASN Chi-restraints excluded: chain G residue 33 GLN Chi-restraints excluded: chain G residue 34 ASP Chi-restraints excluded: chain G residue 35 MET Chi-restraints excluded: chain G residue 38 SER Chi-restraints excluded: chain G residue 39 ILE Chi-restraints excluded: chain G residue 41 SER Chi-restraints excluded: chain G residue 44 GLU Chi-restraints excluded: chain G residue 45 ILE Chi-restraints excluded: chain G residue 48 ILE Chi-restraints excluded: chain G residue 51 SER Chi-restraints excluded: chain G residue 58 THR Chi-restraints excluded: chain G residue 66 LEU Chi-restraints excluded: chain G residue 75 LYS Chi-restraints excluded: chain G residue 80 VAL Chi-restraints excluded: chain G residue 81 LEU Chi-restraints excluded: chain G residue 82 ARG Chi-restraints excluded: chain G residue 92 ILE Chi-restraints excluded: chain G residue 94 THR Chi-restraints excluded: chain G residue 107 ILE Chi-restraints excluded: chain G residue 110 ARG Chi-restraints excluded: chain G residue 124 ASN Chi-restraints excluded: chain G residue 131 TYR Chi-restraints excluded: chain G residue 139 LEU Chi-restraints excluded: chain G residue 141 LEU Chi-restraints excluded: chain G residue 146 ASN Chi-restraints excluded: chain G residue 153 LEU Chi-restraints excluded: chain G residue 157 LYS Chi-restraints excluded: chain G residue 158 THR Chi-restraints excluded: chain G residue 173 LYS Chi-restraints excluded: chain G residue 186 CYS Chi-restraints excluded: chain G residue 188 SER Chi-restraints excluded: chain G residue 191 THR Chi-restraints excluded: chain G residue 199 LEU Chi-restraints excluded: chain G residue 204 ASP Chi-restraints excluded: chain G residue 208 THR Chi-restraints excluded: chain G residue 210 ARG Chi-restraints excluded: chain G residue 214 SER Chi-restraints excluded: chain G residue 219 LEU Chi-restraints excluded: chain G residue 221 ILE Chi-restraints excluded: chain G residue 234 SER Chi-restraints excluded: chain G residue 239 ASN Chi-restraints excluded: chain G residue 241 LEU Chi-restraints excluded: chain G residue 242 LEU Chi-restraints excluded: chain G residue 246 ASN Chi-restraints excluded: chain G residue 258 LEU Chi-restraints excluded: chain G residue 262 ILE Chi-restraints excluded: chain G residue 264 LEU Chi-restraints excluded: chain G residue 266 THR Chi-restraints excluded: chain G residue 273 ASP Chi-restraints excluded: chain G residue 279 THR Chi-restraints excluded: chain G residue 280 THR Chi-restraints excluded: chain G residue 281 THR Chi-restraints excluded: chain G residue 284 SER Chi-restraints excluded: chain G residue 288 HIS Chi-restraints excluded: chain G residue 292 LEU Chi-restraints excluded: chain G residue 293 THR Chi-restraints excluded: chain G residue 305 LEU Chi-restraints excluded: chain G residue 307 CYS Chi-restraints excluded: chain G residue 319 THR Chi-restraints excluded: chain G residue 321 PRO Chi-restraints excluded: chain G residue 323 ARG Chi-restraints excluded: chain G residue 324 LEU Chi-restraints excluded: chain G residue 325 SER Chi-restraints excluded: chain G residue 330 SER Chi-restraints excluded: chain G residue 333 ASP Chi-restraints excluded: chain G residue 342 LYS Chi-restraints excluded: chain G residue 351 THR Chi-restraints excluded: chain G residue 352 ILE Chi-restraints excluded: chain G residue 353 ILE Chi-restraints excluded: chain G residue 355 SER Chi-restraints excluded: chain G residue 359 VAL Chi-restraints excluded: chain G residue 361 GLU Chi-restraints excluded: chain G residue 367 LYS Chi-restraints excluded: chain G residue 370 ASP Chi-restraints excluded: chain G residue 371 ARG Chi-restraints excluded: chain G residue 373 SER Chi-restraints excluded: chain G residue 383 THR Chi-restraints excluded: chain G residue 384 ILE Chi-restraints excluded: chain G residue 385 LEU Chi-restraints excluded: chain G residue 387 SER Chi-restraints excluded: chain G residue 397 ASP Chi-restraints excluded: chain G residue 406 HIS Chi-restraints excluded: chain G residue 425 ILE Chi-restraints excluded: chain G residue 431 VAL Chi-restraints excluded: chain G residue 443 ILE Chi-restraints excluded: chain G residue 452 THR Chi-restraints excluded: chain G residue 462 TYR Chi-restraints excluded: chain G residue 471 ILE Chi-restraints excluded: chain G residue 478 ILE Chi-restraints excluded: chain G residue 479 GLU Chi-restraints excluded: chain G residue 494 PHE Chi-restraints excluded: chain G residue 501 ILE Chi-restraints excluded: chain G residue 528 ILE Chi-restraints excluded: chain G residue 532 ASP Chi-restraints excluded: chain G residue 536 GLU Chi-restraints excluded: chain G residue 539 VAL Chi-restraints excluded: chain G residue 544 ASP Chi-restraints excluded: chain G residue 562 LEU Chi-restraints excluded: chain G residue 564 ILE Chi-restraints excluded: chain G residue 570 ASP Chi-restraints excluded: chain G residue 576 GLU Chi-restraints excluded: chain G residue 582 GLN Chi-restraints excluded: chain H residue 12 TYR Chi-restraints excluded: chain H residue 13 LYS Chi-restraints excluded: chain H residue 19 PHE Chi-restraints excluded: chain H residue 25 ASP Chi-restraints excluded: chain H residue 34 ASP Chi-restraints excluded: chain H residue 38 SER Chi-restraints excluded: chain H residue 39 ILE Chi-restraints excluded: chain H residue 40 LEU Chi-restraints excluded: chain H residue 41 SER Chi-restraints excluded: chain H residue 46 ASP Chi-restraints excluded: chain H residue 51 SER Chi-restraints excluded: chain H residue 58 THR Chi-restraints excluded: chain H residue 74 GLN Chi-restraints excluded: chain H residue 75 LYS Chi-restraints excluded: chain H residue 81 LEU Chi-restraints excluded: chain H residue 82 ARG Chi-restraints excluded: chain H residue 86 LYS Chi-restraints excluded: chain H residue 92 ILE Chi-restraints excluded: chain H residue 107 ILE Chi-restraints excluded: chain H residue 118 GLN Chi-restraints excluded: chain H residue 124 ASN Chi-restraints excluded: chain H residue 127 ARG Chi-restraints excluded: chain H residue 131 TYR Chi-restraints excluded: chain H residue 135 ARG Chi-restraints excluded: chain H residue 141 LEU Chi-restraints excluded: chain H residue 153 LEU Chi-restraints excluded: chain H residue 157 LYS Chi-restraints excluded: chain H residue 158 THR Chi-restraints excluded: chain H residue 162 LEU Chi-restraints excluded: chain H residue 164 VAL Chi-restraints excluded: chain H residue 166 LEU Chi-restraints excluded: chain H residue 179 PHE Chi-restraints excluded: chain H residue 186 CYS Chi-restraints excluded: chain H residue 199 LEU Chi-restraints excluded: chain H residue 203 ILE Chi-restraints excluded: chain H residue 204 ASP Chi-restraints excluded: chain H residue 208 THR Chi-restraints excluded: chain H residue 210 ARG Chi-restraints excluded: chain H residue 214 SER Chi-restraints excluded: chain H residue 218 LYS Chi-restraints excluded: chain H residue 219 LEU Chi-restraints excluded: chain H residue 221 ILE Chi-restraints excluded: chain H residue 234 SER Chi-restraints excluded: chain H residue 239 ASN Chi-restraints excluded: chain H residue 242 LEU Chi-restraints excluded: chain H residue 245 LEU Chi-restraints excluded: chain H residue 254 ASN Chi-restraints excluded: chain H residue 256 PHE Chi-restraints excluded: chain H residue 258 LEU Chi-restraints excluded: chain H residue 263 LEU Chi-restraints excluded: chain H residue 266 THR Chi-restraints excluded: chain H residue 267 ARG Chi-restraints excluded: chain H residue 271 VAL Chi-restraints excluded: chain H residue 273 ASP Chi-restraints excluded: chain H residue 275 LEU Chi-restraints excluded: chain H residue 279 THR Chi-restraints excluded: chain H residue 280 THR Chi-restraints excluded: chain H residue 281 THR Chi-restraints excluded: chain H residue 284 SER Chi-restraints excluded: chain H residue 288 HIS Chi-restraints excluded: chain H residue 292 LEU Chi-restraints excluded: chain H residue 293 THR Chi-restraints excluded: chain H residue 297 VAL Chi-restraints excluded: chain H residue 306 ASP Chi-restraints excluded: chain H residue 307 CYS Chi-restraints excluded: chain H residue 322 ARG Chi-restraints excluded: chain H residue 323 ARG Chi-restraints excluded: chain H residue 324 LEU Chi-restraints excluded: chain H residue 330 SER Chi-restraints excluded: chain H residue 333 ASP Chi-restraints excluded: chain H residue 339 ASP Chi-restraints excluded: chain H residue 349 LEU Chi-restraints excluded: chain H residue 351 THR Chi-restraints excluded: chain H residue 352 ILE Chi-restraints excluded: chain H residue 353 ILE Chi-restraints excluded: chain H residue 355 SER Chi-restraints excluded: chain H residue 359 VAL Chi-restraints excluded: chain H residue 365 TYR Chi-restraints excluded: chain H residue 367 LYS Chi-restraints excluded: chain H residue 370 ASP Chi-restraints excluded: chain H residue 378 SER Chi-restraints excluded: chain H residue 381 ILE Chi-restraints excluded: chain H residue 383 THR Chi-restraints excluded: chain H residue 384 ILE Chi-restraints excluded: chain H residue 385 LEU Chi-restraints excluded: chain H residue 387 SER Chi-restraints excluded: chain H residue 398 VAL Chi-restraints excluded: chain H residue 400 VAL Chi-restraints excluded: chain H residue 406 HIS Chi-restraints excluded: chain H residue 407 LYS Chi-restraints excluded: chain H residue 413 LYS Chi-restraints excluded: chain H residue 421 SER Chi-restraints excluded: chain H residue 431 VAL Chi-restraints excluded: chain H residue 441 ARG Chi-restraints excluded: chain H residue 446 HIS Chi-restraints excluded: chain H residue 452 THR Chi-restraints excluded: chain H residue 457 ASP Chi-restraints excluded: chain H residue 462 TYR Chi-restraints excluded: chain H residue 471 ILE Chi-restraints excluded: chain H residue 478 ILE Chi-restraints excluded: chain H residue 479 GLU Chi-restraints excluded: chain H residue 488 ARG Chi-restraints excluded: chain H residue 501 ILE Chi-restraints excluded: chain H residue 528 ILE Chi-restraints excluded: chain H residue 532 ASP Chi-restraints excluded: chain H residue 536 GLU Chi-restraints excluded: chain H residue 539 VAL Chi-restraints excluded: chain H residue 543 LEU Chi-restraints excluded: chain H residue 544 ASP Chi-restraints excluded: chain H residue 549 ILE Chi-restraints excluded: chain H residue 564 ILE Chi-restraints excluded: chain H residue 567 MET Chi-restraints excluded: chain H residue 570 ASP Chi-restraints excluded: chain H residue 576 GLU Chi-restraints excluded: chain H residue 582 GLN Chi-restraints excluded: chain I residue 11 GLN Chi-restraints excluded: chain I residue 12 TYR Chi-restraints excluded: chain I residue 13 LYS Chi-restraints excluded: chain I residue 19 PHE Chi-restraints excluded: chain I residue 25 ASP Chi-restraints excluded: chain I residue 26 ASN Chi-restraints excluded: chain I residue 33 GLN Chi-restraints excluded: chain I residue 34 ASP Chi-restraints excluded: chain I residue 35 MET Chi-restraints excluded: chain I residue 38 SER Chi-restraints excluded: chain I residue 39 ILE Chi-restraints excluded: chain I residue 41 SER Chi-restraints excluded: chain I residue 44 GLU Chi-restraints excluded: chain I residue 45 ILE Chi-restraints excluded: chain I residue 48 ILE Chi-restraints excluded: chain I residue 51 SER Chi-restraints excluded: chain I residue 58 THR Chi-restraints excluded: chain I residue 66 LEU Chi-restraints excluded: chain I residue 75 LYS Chi-restraints excluded: chain I residue 80 VAL Chi-restraints excluded: chain I residue 81 LEU Chi-restraints excluded: chain I residue 82 ARG Chi-restraints excluded: chain I residue 92 ILE Chi-restraints excluded: chain I residue 94 THR Chi-restraints excluded: chain I residue 103 THR Chi-restraints excluded: chain I residue 107 ILE Chi-restraints excluded: chain I residue 110 ARG Chi-restraints excluded: chain I residue 131 TYR Chi-restraints excluded: chain I residue 139 LEU Chi-restraints excluded: chain I residue 141 LEU Chi-restraints excluded: chain I residue 146 ASN Chi-restraints excluded: chain I residue 153 LEU Chi-restraints excluded: chain I residue 157 LYS Chi-restraints excluded: chain I residue 158 THR Chi-restraints excluded: chain I residue 186 CYS Chi-restraints excluded: chain I residue 188 SER Chi-restraints excluded: chain I residue 191 THR Chi-restraints excluded: chain I residue 199 LEU Chi-restraints excluded: chain I residue 204 ASP Chi-restraints excluded: chain I residue 208 THR Chi-restraints excluded: chain I residue 210 ARG Chi-restraints excluded: chain I residue 214 SER Chi-restraints excluded: chain I residue 219 LEU Chi-restraints excluded: chain I residue 221 ILE Chi-restraints excluded: chain I residue 234 SER Chi-restraints excluded: chain I residue 239 ASN Chi-restraints excluded: chain I residue 241 LEU Chi-restraints excluded: chain I residue 242 LEU Chi-restraints excluded: chain I residue 246 ASN Chi-restraints excluded: chain I residue 258 LEU Chi-restraints excluded: chain I residue 262 ILE Chi-restraints excluded: chain I residue 264 LEU Chi-restraints excluded: chain I residue 266 THR Chi-restraints excluded: chain I residue 273 ASP Chi-restraints excluded: chain I residue 279 THR Chi-restraints excluded: chain I residue 280 THR Chi-restraints excluded: chain I residue 281 THR Chi-restraints excluded: chain I residue 284 SER Chi-restraints excluded: chain I residue 288 HIS Chi-restraints excluded: chain I residue 292 LEU Chi-restraints excluded: chain I residue 293 THR Chi-restraints excluded: chain I residue 305 LEU Chi-restraints excluded: chain I residue 307 CYS Chi-restraints excluded: chain I residue 319 THR Chi-restraints excluded: chain I residue 321 PRO Chi-restraints excluded: chain I residue 323 ARG Chi-restraints excluded: chain I residue 324 LEU Chi-restraints excluded: chain I residue 325 SER Chi-restraints excluded: chain I residue 330 SER Chi-restraints excluded: chain I residue 333 ASP Chi-restraints excluded: chain I residue 342 LYS Chi-restraints excluded: chain I residue 349 LEU Chi-restraints excluded: chain I residue 351 THR Chi-restraints excluded: chain I residue 352 ILE Chi-restraints excluded: chain I residue 353 ILE Chi-restraints excluded: chain I residue 355 SER Chi-restraints excluded: chain I residue 359 VAL Chi-restraints excluded: chain I residue 361 GLU Chi-restraints excluded: chain I residue 367 LYS Chi-restraints excluded: chain I residue 370 ASP Chi-restraints excluded: chain I residue 371 ARG Chi-restraints excluded: chain I residue 373 SER Chi-restraints excluded: chain I residue 383 THR Chi-restraints excluded: chain I residue 384 ILE Chi-restraints excluded: chain I residue 385 LEU Chi-restraints excluded: chain I residue 387 SER Chi-restraints excluded: chain I residue 397 ASP Chi-restraints excluded: chain I residue 406 HIS Chi-restraints excluded: chain I residue 425 ILE Chi-restraints excluded: chain I residue 431 VAL Chi-restraints excluded: chain I residue 443 ILE Chi-restraints excluded: chain I residue 452 THR Chi-restraints excluded: chain I residue 462 TYR Chi-restraints excluded: chain I residue 471 ILE Chi-restraints excluded: chain I residue 478 ILE Chi-restraints excluded: chain I residue 479 GLU Chi-restraints excluded: chain I residue 494 PHE Chi-restraints excluded: chain I residue 501 ILE Chi-restraints excluded: chain I residue 528 ILE Chi-restraints excluded: chain I residue 532 ASP Chi-restraints excluded: chain I residue 536 GLU Chi-restraints excluded: chain I residue 539 VAL Chi-restraints excluded: chain I residue 544 ASP Chi-restraints excluded: chain I residue 562 LEU Chi-restraints excluded: chain I residue 564 ILE Chi-restraints excluded: chain I residue 570 ASP Chi-restraints excluded: chain I residue 576 GLU Chi-restraints excluded: chain I residue 582 GLN Chi-restraints excluded: chain J residue 12 TYR Chi-restraints excluded: chain J residue 13 LYS Chi-restraints excluded: chain J residue 19 PHE Chi-restraints excluded: chain J residue 25 ASP Chi-restraints excluded: chain J residue 34 ASP Chi-restraints excluded: chain J residue 38 SER Chi-restraints excluded: chain J residue 39 ILE Chi-restraints excluded: chain J residue 40 LEU Chi-restraints excluded: chain J residue 41 SER Chi-restraints excluded: chain J residue 46 ASP Chi-restraints excluded: chain J residue 51 SER Chi-restraints excluded: chain J residue 58 THR Chi-restraints excluded: chain J residue 74 GLN Chi-restraints excluded: chain J residue 81 LEU Chi-restraints excluded: chain J residue 82 ARG Chi-restraints excluded: chain J residue 86 LYS Chi-restraints excluded: chain J residue 92 ILE Chi-restraints excluded: chain J residue 107 ILE Chi-restraints excluded: chain J residue 110 ARG Chi-restraints excluded: chain J residue 118 GLN Chi-restraints excluded: chain J residue 127 ARG Chi-restraints excluded: chain J residue 131 TYR Chi-restraints excluded: chain J residue 135 ARG Chi-restraints excluded: chain J residue 141 LEU Chi-restraints excluded: chain J residue 153 LEU Chi-restraints excluded: chain J residue 157 LYS Chi-restraints excluded: chain J residue 158 THR Chi-restraints excluded: chain J residue 162 LEU Chi-restraints excluded: chain J residue 164 VAL Chi-restraints excluded: chain J residue 166 LEU Chi-restraints excluded: chain J residue 179 PHE Chi-restraints excluded: chain J residue 186 CYS Chi-restraints excluded: chain J residue 199 LEU Chi-restraints excluded: chain J residue 203 ILE Chi-restraints excluded: chain J residue 204 ASP Chi-restraints excluded: chain J residue 208 THR Chi-restraints excluded: chain J residue 210 ARG Chi-restraints excluded: chain J residue 214 SER Chi-restraints excluded: chain J residue 218 LYS Chi-restraints excluded: chain J residue 219 LEU Chi-restraints excluded: chain J residue 221 ILE Chi-restraints excluded: chain J residue 234 SER Chi-restraints excluded: chain J residue 239 ASN Chi-restraints excluded: chain J residue 242 LEU Chi-restraints excluded: chain J residue 245 LEU Chi-restraints excluded: chain J residue 254 ASN Chi-restraints excluded: chain J residue 256 PHE Chi-restraints excluded: chain J residue 258 LEU Chi-restraints excluded: chain J residue 266 THR Chi-restraints excluded: chain J residue 267 ARG Chi-restraints excluded: chain J residue 271 VAL Chi-restraints excluded: chain J residue 273 ASP Chi-restraints excluded: chain J residue 275 LEU Chi-restraints excluded: chain J residue 279 THR Chi-restraints excluded: chain J residue 280 THR Chi-restraints excluded: chain J residue 281 THR Chi-restraints excluded: chain J residue 284 SER Chi-restraints excluded: chain J residue 288 HIS Chi-restraints excluded: chain J residue 292 LEU Chi-restraints excluded: chain J residue 293 THR Chi-restraints excluded: chain J residue 297 VAL Chi-restraints excluded: chain J residue 306 ASP Chi-restraints excluded: chain J residue 307 CYS Chi-restraints excluded: chain J residue 322 ARG Chi-restraints excluded: chain J residue 323 ARG Chi-restraints excluded: chain J residue 324 LEU Chi-restraints excluded: chain J residue 330 SER Chi-restraints excluded: chain J residue 333 ASP Chi-restraints excluded: chain J residue 339 ASP Chi-restraints excluded: chain J residue 349 LEU Chi-restraints excluded: chain J residue 351 THR Chi-restraints excluded: chain J residue 352 ILE Chi-restraints excluded: chain J residue 353 ILE Chi-restraints excluded: chain J residue 355 SER Chi-restraints excluded: chain J residue 359 VAL Chi-restraints excluded: chain J residue 365 TYR Chi-restraints excluded: chain J residue 367 LYS Chi-restraints excluded: chain J residue 370 ASP Chi-restraints excluded: chain J residue 378 SER Chi-restraints excluded: chain J residue 381 ILE Chi-restraints excluded: chain J residue 383 THR Chi-restraints excluded: chain J residue 384 ILE Chi-restraints excluded: chain J residue 385 LEU Chi-restraints excluded: chain J residue 387 SER Chi-restraints excluded: chain J residue 398 VAL Chi-restraints excluded: chain J residue 400 VAL Chi-restraints excluded: chain J residue 406 HIS Chi-restraints excluded: chain J residue 407 LYS Chi-restraints excluded: chain J residue 413 LYS Chi-restraints excluded: chain J residue 421 SER Chi-restraints excluded: chain J residue 431 VAL Chi-restraints excluded: chain J residue 441 ARG Chi-restraints excluded: chain J residue 446 HIS Chi-restraints excluded: chain J residue 452 THR Chi-restraints excluded: chain J residue 457 ASP Chi-restraints excluded: chain J residue 462 TYR Chi-restraints excluded: chain J residue 471 ILE Chi-restraints excluded: chain J residue 478 ILE Chi-restraints excluded: chain J residue 479 GLU Chi-restraints excluded: chain J residue 488 ARG Chi-restraints excluded: chain J residue 501 ILE Chi-restraints excluded: chain J residue 528 ILE Chi-restraints excluded: chain J residue 532 ASP Chi-restraints excluded: chain J residue 536 GLU Chi-restraints excluded: chain J residue 539 VAL Chi-restraints excluded: chain J residue 543 LEU Chi-restraints excluded: chain J residue 544 ASP Chi-restraints excluded: chain J residue 549 ILE Chi-restraints excluded: chain J residue 564 ILE Chi-restraints excluded: chain J residue 567 MET Chi-restraints excluded: chain J residue 570 ASP Chi-restraints excluded: chain J residue 576 GLU Chi-restraints excluded: chain J residue 582 GLN Chi-restraints excluded: chain K residue 11 GLN Chi-restraints excluded: chain K residue 12 TYR Chi-restraints excluded: chain K residue 13 LYS Chi-restraints excluded: chain K residue 19 PHE Chi-restraints excluded: chain K residue 25 ASP Chi-restraints excluded: chain K residue 26 ASN Chi-restraints excluded: chain K residue 33 GLN Chi-restraints excluded: chain K residue 34 ASP Chi-restraints excluded: chain K residue 35 MET Chi-restraints excluded: chain K residue 38 SER Chi-restraints excluded: chain K residue 39 ILE Chi-restraints excluded: chain K residue 41 SER Chi-restraints excluded: chain K residue 44 GLU Chi-restraints excluded: chain K residue 45 ILE Chi-restraints excluded: chain K residue 48 ILE Chi-restraints excluded: chain K residue 51 SER Chi-restraints excluded: chain K residue 58 THR Chi-restraints excluded: chain K residue 66 LEU Chi-restraints excluded: chain K residue 75 LYS Chi-restraints excluded: chain K residue 80 VAL Chi-restraints excluded: chain K residue 81 LEU Chi-restraints excluded: chain K residue 82 ARG Chi-restraints excluded: chain K residue 87 PHE Chi-restraints excluded: chain K residue 92 ILE Chi-restraints excluded: chain K residue 94 THR Chi-restraints excluded: chain K residue 97 ARG Chi-restraints excluded: chain K residue 103 THR Chi-restraints excluded: chain K residue 107 ILE Chi-restraints excluded: chain K residue 110 ARG Chi-restraints excluded: chain K residue 131 TYR Chi-restraints excluded: chain K residue 139 LEU Chi-restraints excluded: chain K residue 141 LEU Chi-restraints excluded: chain K residue 146 ASN Chi-restraints excluded: chain K residue 153 LEU Chi-restraints excluded: chain K residue 157 LYS Chi-restraints excluded: chain K residue 158 THR Chi-restraints excluded: chain K residue 186 CYS Chi-restraints excluded: chain K residue 188 SER Chi-restraints excluded: chain K residue 191 THR Chi-restraints excluded: chain K residue 199 LEU Chi-restraints excluded: chain K residue 204 ASP Chi-restraints excluded: chain K residue 208 THR Chi-restraints excluded: chain K residue 210 ARG Chi-restraints excluded: chain K residue 214 SER Chi-restraints excluded: chain K residue 219 LEU Chi-restraints excluded: chain K residue 221 ILE Chi-restraints excluded: chain K residue 234 SER Chi-restraints excluded: chain K residue 239 ASN Chi-restraints excluded: chain K residue 241 LEU Chi-restraints excluded: chain K residue 242 LEU Chi-restraints excluded: chain K residue 246 ASN Chi-restraints excluded: chain K residue 258 LEU Chi-restraints excluded: chain K residue 262 ILE Chi-restraints excluded: chain K residue 266 THR Chi-restraints excluded: chain K residue 273 ASP Chi-restraints excluded: chain K residue 279 THR Chi-restraints excluded: chain K residue 280 THR Chi-restraints excluded: chain K residue 281 THR Chi-restraints excluded: chain K residue 284 SER Chi-restraints excluded: chain K residue 288 HIS Chi-restraints excluded: chain K residue 292 LEU Chi-restraints excluded: chain K residue 293 THR Chi-restraints excluded: chain K residue 305 LEU Chi-restraints excluded: chain K residue 307 CYS Chi-restraints excluded: chain K residue 319 THR Chi-restraints excluded: chain K residue 321 PRO Chi-restraints excluded: chain K residue 323 ARG Chi-restraints excluded: chain K residue 324 LEU Chi-restraints excluded: chain K residue 325 SER Chi-restraints excluded: chain K residue 330 SER Chi-restraints excluded: chain K residue 333 ASP Chi-restraints excluded: chain K residue 342 LYS Chi-restraints excluded: chain K residue 351 THR Chi-restraints excluded: chain K residue 352 ILE Chi-restraints excluded: chain K residue 353 ILE Chi-restraints excluded: chain K residue 355 SER Chi-restraints excluded: chain K residue 359 VAL Chi-restraints excluded: chain K residue 361 GLU Chi-restraints excluded: chain K residue 367 LYS Chi-restraints excluded: chain K residue 370 ASP Chi-restraints excluded: chain K residue 371 ARG Chi-restraints excluded: chain K residue 373 SER Chi-restraints excluded: chain K residue 383 THR Chi-restraints excluded: chain K residue 384 ILE Chi-restraints excluded: chain K residue 385 LEU Chi-restraints excluded: chain K residue 387 SER Chi-restraints excluded: chain K residue 397 ASP Chi-restraints excluded: chain K residue 406 HIS Chi-restraints excluded: chain K residue 425 ILE Chi-restraints excluded: chain K residue 431 VAL Chi-restraints excluded: chain K residue 443 ILE Chi-restraints excluded: chain K residue 452 THR Chi-restraints excluded: chain K residue 462 TYR Chi-restraints excluded: chain K residue 471 ILE Chi-restraints excluded: chain K residue 478 ILE Chi-restraints excluded: chain K residue 479 GLU Chi-restraints excluded: chain K residue 494 PHE Chi-restraints excluded: chain K residue 501 ILE Chi-restraints excluded: chain K residue 528 ILE Chi-restraints excluded: chain K residue 532 ASP Chi-restraints excluded: chain K residue 536 GLU Chi-restraints excluded: chain K residue 539 VAL Chi-restraints excluded: chain K residue 544 ASP Chi-restraints excluded: chain K residue 562 LEU Chi-restraints excluded: chain K residue 564 ILE Chi-restraints excluded: chain K residue 570 ASP Chi-restraints excluded: chain K residue 576 GLU Chi-restraints excluded: chain K residue 582 GLN Chi-restraints excluded: chain L residue 12 TYR Chi-restraints excluded: chain L residue 13 LYS Chi-restraints excluded: chain L residue 19 PHE Chi-restraints excluded: chain L residue 25 ASP Chi-restraints excluded: chain L residue 34 ASP Chi-restraints excluded: chain L residue 38 SER Chi-restraints excluded: chain L residue 39 ILE Chi-restraints excluded: chain L residue 40 LEU Chi-restraints excluded: chain L residue 41 SER Chi-restraints excluded: chain L residue 46 ASP Chi-restraints excluded: chain L residue 51 SER Chi-restraints excluded: chain L residue 58 THR Chi-restraints excluded: chain L residue 74 GLN Chi-restraints excluded: chain L residue 81 LEU Chi-restraints excluded: chain L residue 82 ARG Chi-restraints excluded: chain L residue 86 LYS Chi-restraints excluded: chain L residue 87 PHE Chi-restraints excluded: chain L residue 92 ILE Chi-restraints excluded: chain L residue 107 ILE Chi-restraints excluded: chain L residue 110 ARG Chi-restraints excluded: chain L residue 118 GLN Chi-restraints excluded: chain L residue 127 ARG Chi-restraints excluded: chain L residue 131 TYR Chi-restraints excluded: chain L residue 135 ARG Chi-restraints excluded: chain L residue 141 LEU Chi-restraints excluded: chain L residue 157 LYS Chi-restraints excluded: chain L residue 158 THR Chi-restraints excluded: chain L residue 162 LEU Chi-restraints excluded: chain L residue 164 VAL Chi-restraints excluded: chain L residue 166 LEU Chi-restraints excluded: chain L residue 179 PHE Chi-restraints excluded: chain L residue 186 CYS Chi-restraints excluded: chain L residue 199 LEU Chi-restraints excluded: chain L residue 203 ILE Chi-restraints excluded: chain L residue 204 ASP Chi-restraints excluded: chain L residue 208 THR Chi-restraints excluded: chain L residue 210 ARG Chi-restraints excluded: chain L residue 214 SER Chi-restraints excluded: chain L residue 218 LYS Chi-restraints excluded: chain L residue 219 LEU Chi-restraints excluded: chain L residue 221 ILE Chi-restraints excluded: chain L residue 234 SER Chi-restraints excluded: chain L residue 239 ASN Chi-restraints excluded: chain L residue 242 LEU Chi-restraints excluded: chain L residue 245 LEU Chi-restraints excluded: chain L residue 246 ASN Chi-restraints excluded: chain L residue 254 ASN Chi-restraints excluded: chain L residue 256 PHE Chi-restraints excluded: chain L residue 258 LEU Chi-restraints excluded: chain L residue 263 LEU Chi-restraints excluded: chain L residue 266 THR Chi-restraints excluded: chain L residue 267 ARG Chi-restraints excluded: chain L residue 271 VAL Chi-restraints excluded: chain L residue 273 ASP Chi-restraints excluded: chain L residue 275 LEU Chi-restraints excluded: chain L residue 279 THR Chi-restraints excluded: chain L residue 280 THR Chi-restraints excluded: chain L residue 281 THR Chi-restraints excluded: chain L residue 284 SER Chi-restraints excluded: chain L residue 288 HIS Chi-restraints excluded: chain L residue 292 LEU Chi-restraints excluded: chain L residue 293 THR Chi-restraints excluded: chain L residue 297 VAL Chi-restraints excluded: chain L residue 306 ASP Chi-restraints excluded: chain L residue 307 CYS Chi-restraints excluded: chain L residue 322 ARG Chi-restraints excluded: chain L residue 323 ARG Chi-restraints excluded: chain L residue 324 LEU Chi-restraints excluded: chain L residue 330 SER Chi-restraints excluded: chain L residue 333 ASP Chi-restraints excluded: chain L residue 339 ASP Chi-restraints excluded: chain L residue 349 LEU Chi-restraints excluded: chain L residue 351 THR Chi-restraints excluded: chain L residue 352 ILE Chi-restraints excluded: chain L residue 353 ILE Chi-restraints excluded: chain L residue 355 SER Chi-restraints excluded: chain L residue 359 VAL Chi-restraints excluded: chain L residue 365 TYR Chi-restraints excluded: chain L residue 367 LYS Chi-restraints excluded: chain L residue 370 ASP Chi-restraints excluded: chain L residue 378 SER Chi-restraints excluded: chain L residue 381 ILE Chi-restraints excluded: chain L residue 383 THR Chi-restraints excluded: chain L residue 384 ILE Chi-restraints excluded: chain L residue 385 LEU Chi-restraints excluded: chain L residue 387 SER Chi-restraints excluded: chain L residue 398 VAL Chi-restraints excluded: chain L residue 400 VAL Chi-restraints excluded: chain L residue 406 HIS Chi-restraints excluded: chain L residue 407 LYS Chi-restraints excluded: chain L residue 413 LYS Chi-restraints excluded: chain L residue 421 SER Chi-restraints excluded: chain L residue 431 VAL Chi-restraints excluded: chain L residue 441 ARG Chi-restraints excluded: chain L residue 446 HIS Chi-restraints excluded: chain L residue 452 THR Chi-restraints excluded: chain L residue 457 ASP Chi-restraints excluded: chain L residue 462 TYR Chi-restraints excluded: chain L residue 471 ILE Chi-restraints excluded: chain L residue 478 ILE Chi-restraints excluded: chain L residue 479 GLU Chi-restraints excluded: chain L residue 488 ARG Chi-restraints excluded: chain L residue 501 ILE Chi-restraints excluded: chain L residue 528 ILE Chi-restraints excluded: chain L residue 532 ASP Chi-restraints excluded: chain L residue 536 GLU Chi-restraints excluded: chain L residue 539 VAL Chi-restraints excluded: chain L residue 543 LEU Chi-restraints excluded: chain L residue 544 ASP Chi-restraints excluded: chain L residue 549 ILE Chi-restraints excluded: chain L residue 564 ILE Chi-restraints excluded: chain L residue 567 MET Chi-restraints excluded: chain L residue 570 ASP Chi-restraints excluded: chain L residue 576 GLU Chi-restraints excluded: chain L residue 582 GLN Chi-restraints excluded: chain M residue 11 GLN Chi-restraints excluded: chain M residue 12 TYR Chi-restraints excluded: chain M residue 13 LYS Chi-restraints excluded: chain M residue 19 PHE Chi-restraints excluded: chain M residue 25 ASP Chi-restraints excluded: chain M residue 26 ASN Chi-restraints excluded: chain M residue 33 GLN Chi-restraints excluded: chain M residue 34 ASP Chi-restraints excluded: chain M residue 35 MET Chi-restraints excluded: chain M residue 38 SER Chi-restraints excluded: chain M residue 39 ILE Chi-restraints excluded: chain M residue 41 SER Chi-restraints excluded: chain M residue 44 GLU Chi-restraints excluded: chain M residue 45 ILE Chi-restraints excluded: chain M residue 48 ILE Chi-restraints excluded: chain M residue 51 SER Chi-restraints excluded: chain M residue 58 THR Chi-restraints excluded: chain M residue 66 LEU Chi-restraints excluded: chain M residue 75 LYS Chi-restraints excluded: chain M residue 80 VAL Chi-restraints excluded: chain M residue 81 LEU Chi-restraints excluded: chain M residue 82 ARG Chi-restraints excluded: chain M residue 87 PHE Chi-restraints excluded: chain M residue 92 ILE Chi-restraints excluded: chain M residue 94 THR Chi-restraints excluded: chain M residue 103 THR Chi-restraints excluded: chain M residue 107 ILE Chi-restraints excluded: chain M residue 110 ARG Chi-restraints excluded: chain M residue 127 ARG Chi-restraints excluded: chain M residue 131 TYR Chi-restraints excluded: chain M residue 139 LEU Chi-restraints excluded: chain M residue 141 LEU Chi-restraints excluded: chain M residue 146 ASN Chi-restraints excluded: chain M residue 153 LEU Chi-restraints excluded: chain M residue 157 LYS Chi-restraints excluded: chain M residue 158 THR Chi-restraints excluded: chain M residue 186 CYS Chi-restraints excluded: chain M residue 188 SER Chi-restraints excluded: chain M residue 191 THR Chi-restraints excluded: chain M residue 199 LEU Chi-restraints excluded: chain M residue 204 ASP Chi-restraints excluded: chain M residue 208 THR Chi-restraints excluded: chain M residue 210 ARG Chi-restraints excluded: chain M residue 214 SER Chi-restraints excluded: chain M residue 219 LEU Chi-restraints excluded: chain M residue 221 ILE Chi-restraints excluded: chain M residue 234 SER Chi-restraints excluded: chain M residue 239 ASN Chi-restraints excluded: chain M residue 241 LEU Chi-restraints excluded: chain M residue 242 LEU Chi-restraints excluded: chain M residue 246 ASN Chi-restraints excluded: chain M residue 258 LEU Chi-restraints excluded: chain M residue 262 ILE Chi-restraints excluded: chain M residue 264 LEU Chi-restraints excluded: chain M residue 266 THR Chi-restraints excluded: chain M residue 273 ASP Chi-restraints excluded: chain M residue 279 THR Chi-restraints excluded: chain M residue 280 THR Chi-restraints excluded: chain M residue 281 THR Chi-restraints excluded: chain M residue 284 SER Chi-restraints excluded: chain M residue 288 HIS Chi-restraints excluded: chain M residue 292 LEU Chi-restraints excluded: chain M residue 293 THR Chi-restraints excluded: chain M residue 305 LEU Chi-restraints excluded: chain M residue 307 CYS Chi-restraints excluded: chain M residue 319 THR Chi-restraints excluded: chain M residue 321 PRO Chi-restraints excluded: chain M residue 323 ARG Chi-restraints excluded: chain M residue 324 LEU Chi-restraints excluded: chain M residue 325 SER Chi-restraints excluded: chain M residue 330 SER Chi-restraints excluded: chain M residue 333 ASP Chi-restraints excluded: chain M residue 342 LYS Chi-restraints excluded: chain M residue 349 LEU Chi-restraints excluded: chain M residue 351 THR Chi-restraints excluded: chain M residue 352 ILE Chi-restraints excluded: chain M residue 353 ILE Chi-restraints excluded: chain M residue 355 SER Chi-restraints excluded: chain M residue 359 VAL Chi-restraints excluded: chain M residue 361 GLU Chi-restraints excluded: chain M residue 367 LYS Chi-restraints excluded: chain M residue 370 ASP Chi-restraints excluded: chain M residue 371 ARG Chi-restraints excluded: chain M residue 373 SER Chi-restraints excluded: chain M residue 383 THR Chi-restraints excluded: chain M residue 384 ILE Chi-restraints excluded: chain M residue 385 LEU Chi-restraints excluded: chain M residue 387 SER Chi-restraints excluded: chain M residue 397 ASP Chi-restraints excluded: chain M residue 406 HIS Chi-restraints excluded: chain M residue 425 ILE Chi-restraints excluded: chain M residue 431 VAL Chi-restraints excluded: chain M residue 443 ILE Chi-restraints excluded: chain M residue 452 THR Chi-restraints excluded: chain M residue 462 TYR Chi-restraints excluded: chain M residue 471 ILE Chi-restraints excluded: chain M residue 478 ILE Chi-restraints excluded: chain M residue 479 GLU Chi-restraints excluded: chain M residue 494 PHE Chi-restraints excluded: chain M residue 501 ILE Chi-restraints excluded: chain M residue 528 ILE Chi-restraints excluded: chain M residue 532 ASP Chi-restraints excluded: chain M residue 536 GLU Chi-restraints excluded: chain M residue 539 VAL Chi-restraints excluded: chain M residue 544 ASP Chi-restraints excluded: chain M residue 562 LEU Chi-restraints excluded: chain M residue 564 ILE Chi-restraints excluded: chain M residue 570 ASP Chi-restraints excluded: chain M residue 576 GLU Chi-restraints excluded: chain M residue 582 GLN Chi-restraints excluded: chain N residue 12 TYR Chi-restraints excluded: chain N residue 13 LYS Chi-restraints excluded: chain N residue 19 PHE Chi-restraints excluded: chain N residue 25 ASP Chi-restraints excluded: chain N residue 34 ASP Chi-restraints excluded: chain N residue 38 SER Chi-restraints excluded: chain N residue 39 ILE Chi-restraints excluded: chain N residue 40 LEU Chi-restraints excluded: chain N residue 41 SER Chi-restraints excluded: chain N residue 46 ASP Chi-restraints excluded: chain N residue 51 SER Chi-restraints excluded: chain N residue 58 THR Chi-restraints excluded: chain N residue 74 GLN Chi-restraints excluded: chain N residue 81 LEU Chi-restraints excluded: chain N residue 82 ARG Chi-restraints excluded: chain N residue 86 LYS Chi-restraints excluded: chain N residue 87 PHE Chi-restraints excluded: chain N residue 92 ILE Chi-restraints excluded: chain N residue 107 ILE Chi-restraints excluded: chain N residue 110 ARG Chi-restraints excluded: chain N residue 118 GLN Chi-restraints excluded: chain N residue 127 ARG Chi-restraints excluded: chain N residue 131 TYR Chi-restraints excluded: chain N residue 135 ARG Chi-restraints excluded: chain N residue 141 LEU Chi-restraints excluded: chain N residue 157 LYS Chi-restraints excluded: chain N residue 158 THR Chi-restraints excluded: chain N residue 162 LEU Chi-restraints excluded: chain N residue 164 VAL Chi-restraints excluded: chain N residue 166 LEU Chi-restraints excluded: chain N residue 179 PHE Chi-restraints excluded: chain N residue 186 CYS Chi-restraints excluded: chain N residue 199 LEU Chi-restraints excluded: chain N residue 203 ILE Chi-restraints excluded: chain N residue 204 ASP Chi-restraints excluded: chain N residue 208 THR Chi-restraints excluded: chain N residue 210 ARG Chi-restraints excluded: chain N residue 214 SER Chi-restraints excluded: chain N residue 218 LYS Chi-restraints excluded: chain N residue 219 LEU Chi-restraints excluded: chain N residue 221 ILE Chi-restraints excluded: chain N residue 234 SER Chi-restraints excluded: chain N residue 239 ASN Chi-restraints excluded: chain N residue 242 LEU Chi-restraints excluded: chain N residue 245 LEU Chi-restraints excluded: chain N residue 254 ASN Chi-restraints excluded: chain N residue 256 PHE Chi-restraints excluded: chain N residue 258 LEU Chi-restraints excluded: chain N residue 263 LEU Chi-restraints excluded: chain N residue 266 THR Chi-restraints excluded: chain N residue 267 ARG Chi-restraints excluded: chain N residue 271 VAL Chi-restraints excluded: chain N residue 273 ASP Chi-restraints excluded: chain N residue 275 LEU Chi-restraints excluded: chain N residue 279 THR Chi-restraints excluded: chain N residue 280 THR Chi-restraints excluded: chain N residue 281 THR Chi-restraints excluded: chain N residue 284 SER Chi-restraints excluded: chain N residue 288 HIS Chi-restraints excluded: chain N residue 292 LEU Chi-restraints excluded: chain N residue 293 THR Chi-restraints excluded: chain N residue 297 VAL Chi-restraints excluded: chain N residue 306 ASP Chi-restraints excluded: chain N residue 307 CYS Chi-restraints excluded: chain N residue 322 ARG Chi-restraints excluded: chain N residue 323 ARG Chi-restraints excluded: chain N residue 324 LEU Chi-restraints excluded: chain N residue 330 SER Chi-restraints excluded: chain N residue 333 ASP Chi-restraints excluded: chain N residue 339 ASP Chi-restraints excluded: chain N residue 349 LEU Chi-restraints excluded: chain N residue 351 THR Chi-restraints excluded: chain N residue 352 ILE Chi-restraints excluded: chain N residue 353 ILE Chi-restraints excluded: chain N residue 355 SER Chi-restraints excluded: chain N residue 359 VAL Chi-restraints excluded: chain N residue 365 TYR Chi-restraints excluded: chain N residue 367 LYS Chi-restraints excluded: chain N residue 370 ASP Chi-restraints excluded: chain N residue 378 SER Chi-restraints excluded: chain N residue 381 ILE Chi-restraints excluded: chain N residue 383 THR Chi-restraints excluded: chain N residue 384 ILE Chi-restraints excluded: chain N residue 385 LEU Chi-restraints excluded: chain N residue 387 SER Chi-restraints excluded: chain N residue 398 VAL Chi-restraints excluded: chain N residue 400 VAL Chi-restraints excluded: chain N residue 406 HIS Chi-restraints excluded: chain N residue 407 LYS Chi-restraints excluded: chain N residue 413 LYS Chi-restraints excluded: chain N residue 421 SER Chi-restraints excluded: chain N residue 431 VAL Chi-restraints excluded: chain N residue 441 ARG Chi-restraints excluded: chain N residue 446 HIS Chi-restraints excluded: chain N residue 452 THR Chi-restraints excluded: chain N residue 457 ASP Chi-restraints excluded: chain N residue 462 TYR Chi-restraints excluded: chain N residue 471 ILE Chi-restraints excluded: chain N residue 478 ILE Chi-restraints excluded: chain N residue 479 GLU Chi-restraints excluded: chain N residue 488 ARG Chi-restraints excluded: chain N residue 501 ILE Chi-restraints excluded: chain N residue 528 ILE Chi-restraints excluded: chain N residue 532 ASP Chi-restraints excluded: chain N residue 536 GLU Chi-restraints excluded: chain N residue 539 VAL Chi-restraints excluded: chain N residue 543 LEU Chi-restraints excluded: chain N residue 544 ASP Chi-restraints excluded: chain N residue 549 ILE Chi-restraints excluded: chain N residue 564 ILE Chi-restraints excluded: chain N residue 567 MET Chi-restraints excluded: chain N residue 570 ASP Chi-restraints excluded: chain N residue 576 GLU Chi-restraints excluded: chain N residue 582 GLN Chi-restraints excluded: chain O residue 11 GLN Chi-restraints excluded: chain O residue 12 TYR Chi-restraints excluded: chain O residue 13 LYS Chi-restraints excluded: chain O residue 19 PHE Chi-restraints excluded: chain O residue 25 ASP Chi-restraints excluded: chain O residue 26 ASN Chi-restraints excluded: chain O residue 33 GLN Chi-restraints excluded: chain O residue 34 ASP Chi-restraints excluded: chain O residue 35 MET Chi-restraints excluded: chain O residue 38 SER Chi-restraints excluded: chain O residue 39 ILE Chi-restraints excluded: chain O residue 41 SER Chi-restraints excluded: chain O residue 44 GLU Chi-restraints excluded: chain O residue 45 ILE Chi-restraints excluded: chain O residue 48 ILE Chi-restraints excluded: chain O residue 51 SER Chi-restraints excluded: chain O residue 58 THR Chi-restraints excluded: chain O residue 66 LEU Chi-restraints excluded: chain O residue 75 LYS Chi-restraints excluded: chain O residue 80 VAL Chi-restraints excluded: chain O residue 81 LEU Chi-restraints excluded: chain O residue 82 ARG Chi-restraints excluded: chain O residue 87 PHE Chi-restraints excluded: chain O residue 92 ILE Chi-restraints excluded: chain O residue 94 THR Chi-restraints excluded: chain O residue 107 ILE Chi-restraints excluded: chain O residue 110 ARG Chi-restraints excluded: chain O residue 131 TYR Chi-restraints excluded: chain O residue 139 LEU Chi-restraints excluded: chain O residue 141 LEU Chi-restraints excluded: chain O residue 146 ASN Chi-restraints excluded: chain O residue 153 LEU Chi-restraints excluded: chain O residue 157 LYS Chi-restraints excluded: chain O residue 158 THR Chi-restraints excluded: chain O residue 186 CYS Chi-restraints excluded: chain O residue 188 SER Chi-restraints excluded: chain O residue 191 THR Chi-restraints excluded: chain O residue 199 LEU Chi-restraints excluded: chain O residue 204 ASP Chi-restraints excluded: chain O residue 208 THR Chi-restraints excluded: chain O residue 210 ARG Chi-restraints excluded: chain O residue 214 SER Chi-restraints excluded: chain O residue 219 LEU Chi-restraints excluded: chain O residue 221 ILE Chi-restraints excluded: chain O residue 234 SER Chi-restraints excluded: chain O residue 239 ASN Chi-restraints excluded: chain O residue 241 LEU Chi-restraints excluded: chain O residue 242 LEU Chi-restraints excluded: chain O residue 246 ASN Chi-restraints excluded: chain O residue 258 LEU Chi-restraints excluded: chain O residue 262 ILE Chi-restraints excluded: chain O residue 264 LEU Chi-restraints excluded: chain O residue 266 THR Chi-restraints excluded: chain O residue 273 ASP Chi-restraints excluded: chain O residue 279 THR Chi-restraints excluded: chain O residue 280 THR Chi-restraints excluded: chain O residue 281 THR Chi-restraints excluded: chain O residue 284 SER Chi-restraints excluded: chain O residue 288 HIS Chi-restraints excluded: chain O residue 292 LEU Chi-restraints excluded: chain O residue 293 THR Chi-restraints excluded: chain O residue 305 LEU Chi-restraints excluded: chain O residue 307 CYS Chi-restraints excluded: chain O residue 319 THR Chi-restraints excluded: chain O residue 321 PRO Chi-restraints excluded: chain O residue 323 ARG Chi-restraints excluded: chain O residue 324 LEU Chi-restraints excluded: chain O residue 325 SER Chi-restraints excluded: chain O residue 330 SER Chi-restraints excluded: chain O residue 333 ASP Chi-restraints excluded: chain O residue 342 LYS Chi-restraints excluded: chain O residue 349 LEU Chi-restraints excluded: chain O residue 351 THR Chi-restraints excluded: chain O residue 352 ILE Chi-restraints excluded: chain O residue 353 ILE Chi-restraints excluded: chain O residue 355 SER Chi-restraints excluded: chain O residue 359 VAL Chi-restraints excluded: chain O residue 361 GLU Chi-restraints excluded: chain O residue 367 LYS Chi-restraints excluded: chain O residue 370 ASP Chi-restraints excluded: chain O residue 371 ARG Chi-restraints excluded: chain O residue 373 SER Chi-restraints excluded: chain O residue 383 THR Chi-restraints excluded: chain O residue 384 ILE Chi-restraints excluded: chain O residue 385 LEU Chi-restraints excluded: chain O residue 387 SER Chi-restraints excluded: chain O residue 397 ASP Chi-restraints excluded: chain O residue 406 HIS Chi-restraints excluded: chain O residue 425 ILE Chi-restraints excluded: chain O residue 431 VAL Chi-restraints excluded: chain O residue 443 ILE Chi-restraints excluded: chain O residue 452 THR Chi-restraints excluded: chain O residue 462 TYR Chi-restraints excluded: chain O residue 471 ILE Chi-restraints excluded: chain O residue 478 ILE Chi-restraints excluded: chain O residue 479 GLU Chi-restraints excluded: chain O residue 494 PHE Chi-restraints excluded: chain O residue 501 ILE Chi-restraints excluded: chain O residue 528 ILE Chi-restraints excluded: chain O residue 532 ASP Chi-restraints excluded: chain O residue 536 GLU Chi-restraints excluded: chain O residue 539 VAL Chi-restraints excluded: chain O residue 544 ASP Chi-restraints excluded: chain O residue 562 LEU Chi-restraints excluded: chain O residue 564 ILE Chi-restraints excluded: chain O residue 570 ASP Chi-restraints excluded: chain O residue 576 GLU Chi-restraints excluded: chain O residue 582 GLN Chi-restraints excluded: chain P residue 12 TYR Chi-restraints excluded: chain P residue 13 LYS Chi-restraints excluded: chain P residue 19 PHE Chi-restraints excluded: chain P residue 25 ASP Chi-restraints excluded: chain P residue 34 ASP Chi-restraints excluded: chain P residue 38 SER Chi-restraints excluded: chain P residue 39 ILE Chi-restraints excluded: chain P residue 40 LEU Chi-restraints excluded: chain P residue 41 SER Chi-restraints excluded: chain P residue 46 ASP Chi-restraints excluded: chain P residue 51 SER Chi-restraints excluded: chain P residue 58 THR Chi-restraints excluded: chain P residue 74 GLN Chi-restraints excluded: chain P residue 75 LYS Chi-restraints excluded: chain P residue 81 LEU Chi-restraints excluded: chain P residue 82 ARG Chi-restraints excluded: chain P residue 86 LYS Chi-restraints excluded: chain P residue 87 PHE Chi-restraints excluded: chain P residue 92 ILE Chi-restraints excluded: chain P residue 107 ILE Chi-restraints excluded: chain P residue 110 ARG Chi-restraints excluded: chain P residue 118 GLN Chi-restraints excluded: chain P residue 127 ARG Chi-restraints excluded: chain P residue 131 TYR Chi-restraints excluded: chain P residue 135 ARG Chi-restraints excluded: chain P residue 141 LEU Chi-restraints excluded: chain P residue 157 LYS Chi-restraints excluded: chain P residue 158 THR Chi-restraints excluded: chain P residue 162 LEU Chi-restraints excluded: chain P residue 164 VAL Chi-restraints excluded: chain P residue 166 LEU Chi-restraints excluded: chain P residue 179 PHE Chi-restraints excluded: chain P residue 186 CYS Chi-restraints excluded: chain P residue 199 LEU Chi-restraints excluded: chain P residue 203 ILE Chi-restraints excluded: chain P residue 204 ASP Chi-restraints excluded: chain P residue 208 THR Chi-restraints excluded: chain P residue 210 ARG Chi-restraints excluded: chain P residue 214 SER Chi-restraints excluded: chain P residue 218 LYS Chi-restraints excluded: chain P residue 219 LEU Chi-restraints excluded: chain P residue 221 ILE Chi-restraints excluded: chain P residue 234 SER Chi-restraints excluded: chain P residue 239 ASN Chi-restraints excluded: chain P residue 242 LEU Chi-restraints excluded: chain P residue 245 LEU Chi-restraints excluded: chain P residue 254 ASN Chi-restraints excluded: chain P residue 256 PHE Chi-restraints excluded: chain P residue 258 LEU Chi-restraints excluded: chain P residue 263 LEU Chi-restraints excluded: chain P residue 266 THR Chi-restraints excluded: chain P residue 267 ARG Chi-restraints excluded: chain P residue 271 VAL Chi-restraints excluded: chain P residue 273 ASP Chi-restraints excluded: chain P residue 275 LEU Chi-restraints excluded: chain P residue 279 THR Chi-restraints excluded: chain P residue 280 THR Chi-restraints excluded: chain P residue 281 THR Chi-restraints excluded: chain P residue 284 SER Chi-restraints excluded: chain P residue 288 HIS Chi-restraints excluded: chain P residue 292 LEU Chi-restraints excluded: chain P residue 293 THR Chi-restraints excluded: chain P residue 297 VAL Chi-restraints excluded: chain P residue 306 ASP Chi-restraints excluded: chain P residue 307 CYS Chi-restraints excluded: chain P residue 322 ARG Chi-restraints excluded: chain P residue 323 ARG Chi-restraints excluded: chain P residue 324 LEU Chi-restraints excluded: chain P residue 330 SER Chi-restraints excluded: chain P residue 333 ASP Chi-restraints excluded: chain P residue 339 ASP Chi-restraints excluded: chain P residue 349 LEU Chi-restraints excluded: chain P residue 351 THR Chi-restraints excluded: chain P residue 352 ILE Chi-restraints excluded: chain P residue 353 ILE Chi-restraints excluded: chain P residue 355 SER Chi-restraints excluded: chain P residue 359 VAL Chi-restraints excluded: chain P residue 365 TYR Chi-restraints excluded: chain P residue 367 LYS Chi-restraints excluded: chain P residue 370 ASP Chi-restraints excluded: chain P residue 378 SER Chi-restraints excluded: chain P residue 381 ILE Chi-restraints excluded: chain P residue 383 THR Chi-restraints excluded: chain P residue 384 ILE Chi-restraints excluded: chain P residue 385 LEU Chi-restraints excluded: chain P residue 387 SER Chi-restraints excluded: chain P residue 398 VAL Chi-restraints excluded: chain P residue 400 VAL Chi-restraints excluded: chain P residue 406 HIS Chi-restraints excluded: chain P residue 407 LYS Chi-restraints excluded: chain P residue 413 LYS Chi-restraints excluded: chain P residue 421 SER Chi-restraints excluded: chain P residue 431 VAL Chi-restraints excluded: chain P residue 441 ARG Chi-restraints excluded: chain P residue 446 HIS Chi-restraints excluded: chain P residue 452 THR Chi-restraints excluded: chain P residue 457 ASP Chi-restraints excluded: chain P residue 462 TYR Chi-restraints excluded: chain P residue 471 ILE Chi-restraints excluded: chain P residue 478 ILE Chi-restraints excluded: chain P residue 479 GLU Chi-restraints excluded: chain P residue 488 ARG Chi-restraints excluded: chain P residue 501 ILE Chi-restraints excluded: chain P residue 528 ILE Chi-restraints excluded: chain P residue 532 ASP Chi-restraints excluded: chain P residue 536 GLU Chi-restraints excluded: chain P residue 539 VAL Chi-restraints excluded: chain P residue 543 LEU Chi-restraints excluded: chain P residue 544 ASP Chi-restraints excluded: chain P residue 549 ILE Chi-restraints excluded: chain P residue 564 ILE Chi-restraints excluded: chain P residue 567 MET Chi-restraints excluded: chain P residue 570 ASP Chi-restraints excluded: chain P residue 576 GLU Chi-restraints excluded: chain P residue 582 GLN Chi-restraints excluded: chain Q residue 11 GLN Chi-restraints excluded: chain Q residue 12 TYR Chi-restraints excluded: chain Q residue 13 LYS Chi-restraints excluded: chain Q residue 19 PHE Chi-restraints excluded: chain Q residue 25 ASP Chi-restraints excluded: chain Q residue 26 ASN Chi-restraints excluded: chain Q residue 33 GLN Chi-restraints excluded: chain Q residue 34 ASP Chi-restraints excluded: chain Q residue 35 MET Chi-restraints excluded: chain Q residue 38 SER Chi-restraints excluded: chain Q residue 39 ILE Chi-restraints excluded: chain Q residue 41 SER Chi-restraints excluded: chain Q residue 44 GLU Chi-restraints excluded: chain Q residue 45 ILE Chi-restraints excluded: chain Q residue 48 ILE Chi-restraints excluded: chain Q residue 51 SER Chi-restraints excluded: chain Q residue 58 THR Chi-restraints excluded: chain Q residue 66 LEU Chi-restraints excluded: chain Q residue 75 LYS Chi-restraints excluded: chain Q residue 80 VAL Chi-restraints excluded: chain Q residue 81 LEU Chi-restraints excluded: chain Q residue 82 ARG Chi-restraints excluded: chain Q residue 87 PHE Chi-restraints excluded: chain Q residue 92 ILE Chi-restraints excluded: chain Q residue 94 THR Chi-restraints excluded: chain Q residue 103 THR Chi-restraints excluded: chain Q residue 107 ILE Chi-restraints excluded: chain Q residue 110 ARG Chi-restraints excluded: chain Q residue 131 TYR Chi-restraints excluded: chain Q residue 139 LEU Chi-restraints excluded: chain Q residue 141 LEU Chi-restraints excluded: chain Q residue 146 ASN Chi-restraints excluded: chain Q residue 153 LEU Chi-restraints excluded: chain Q residue 157 LYS Chi-restraints excluded: chain Q residue 158 THR Chi-restraints excluded: chain Q residue 186 CYS Chi-restraints excluded: chain Q residue 188 SER Chi-restraints excluded: chain Q residue 191 THR Chi-restraints excluded: chain Q residue 199 LEU Chi-restraints excluded: chain Q residue 204 ASP Chi-restraints excluded: chain Q residue 208 THR Chi-restraints excluded: chain Q residue 210 ARG Chi-restraints excluded: chain Q residue 214 SER Chi-restraints excluded: chain Q residue 219 LEU Chi-restraints excluded: chain Q residue 221 ILE Chi-restraints excluded: chain Q residue 234 SER Chi-restraints excluded: chain Q residue 239 ASN Chi-restraints excluded: chain Q residue 241 LEU Chi-restraints excluded: chain Q residue 242 LEU Chi-restraints excluded: chain Q residue 246 ASN Chi-restraints excluded: chain Q residue 258 LEU Chi-restraints excluded: chain Q residue 262 ILE Chi-restraints excluded: chain Q residue 264 LEU Chi-restraints excluded: chain Q residue 266 THR Chi-restraints excluded: chain Q residue 273 ASP Chi-restraints excluded: chain Q residue 279 THR Chi-restraints excluded: chain Q residue 280 THR Chi-restraints excluded: chain Q residue 281 THR Chi-restraints excluded: chain Q residue 284 SER Chi-restraints excluded: chain Q residue 288 HIS Chi-restraints excluded: chain Q residue 292 LEU Chi-restraints excluded: chain Q residue 293 THR Chi-restraints excluded: chain Q residue 305 LEU Chi-restraints excluded: chain Q residue 307 CYS Chi-restraints excluded: chain Q residue 319 THR Chi-restraints excluded: chain Q residue 321 PRO Chi-restraints excluded: chain Q residue 323 ARG Chi-restraints excluded: chain Q residue 324 LEU Chi-restraints excluded: chain Q residue 325 SER Chi-restraints excluded: chain Q residue 330 SER Chi-restraints excluded: chain Q residue 333 ASP Chi-restraints excluded: chain Q residue 342 LYS Chi-restraints excluded: chain Q residue 351 THR Chi-restraints excluded: chain Q residue 352 ILE Chi-restraints excluded: chain Q residue 353 ILE Chi-restraints excluded: chain Q residue 355 SER Chi-restraints excluded: chain Q residue 359 VAL Chi-restraints excluded: chain Q residue 361 GLU Chi-restraints excluded: chain Q residue 367 LYS Chi-restraints excluded: chain Q residue 370 ASP Chi-restraints excluded: chain Q residue 371 ARG Chi-restraints excluded: chain Q residue 373 SER Chi-restraints excluded: chain Q residue 383 THR Chi-restraints excluded: chain Q residue 384 ILE Chi-restraints excluded: chain Q residue 385 LEU Chi-restraints excluded: chain Q residue 387 SER Chi-restraints excluded: chain Q residue 397 ASP Chi-restraints excluded: chain Q residue 406 HIS Chi-restraints excluded: chain Q residue 425 ILE Chi-restraints excluded: chain Q residue 431 VAL Chi-restraints excluded: chain Q residue 443 ILE Chi-restraints excluded: chain Q residue 452 THR Chi-restraints excluded: chain Q residue 462 TYR Chi-restraints excluded: chain Q residue 471 ILE Chi-restraints excluded: chain Q residue 478 ILE Chi-restraints excluded: chain Q residue 479 GLU Chi-restraints excluded: chain Q residue 494 PHE Chi-restraints excluded: chain Q residue 501 ILE Chi-restraints excluded: chain Q residue 528 ILE Chi-restraints excluded: chain Q residue 532 ASP Chi-restraints excluded: chain Q residue 536 GLU Chi-restraints excluded: chain Q residue 539 VAL Chi-restraints excluded: chain Q residue 544 ASP Chi-restraints excluded: chain Q residue 562 LEU Chi-restraints excluded: chain Q residue 564 ILE Chi-restraints excluded: chain Q residue 570 ASP Chi-restraints excluded: chain Q residue 576 GLU Chi-restraints excluded: chain Q residue 582 GLN Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 8.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 465 GLN ** A 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 578 HIS ** C 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 74 GLN C 225 GLN ** C 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 206 ASN ** D 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 578 HIS ** E 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 74 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 239 ASN ** E 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** F 578 HIS ** G 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 74 GLN ** G 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 225 GLN ** G 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 206 ASN ** H 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 578 HIS ** I 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 74 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 239 ASN ** I 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 465 GLN ** J 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 578 HIS ** K 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 74 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 239 ASN ** K 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 206 ASN ** L 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 578 HIS ** M 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 74 GLN M 225 GLN ** M 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** N 465 GLN ** N 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** N 578 HIS ** O 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 74 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 136 GLN P 206 ASN ** P 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 578 HIS ** Q 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 74 GLN ** Q 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 225 GLN ** Q 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 27 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7908 moved from start: 1.4218 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.040 0.316 113878 Z= 2.415 Angle : 2.879 32.472 154904 Z= 1.382 Chirality : 0.113 0.615 19294 Planarity : 0.017 0.144 20033 Dihedral : 16.488 170.939 18366 Min Nonbonded Distance : 1.825 Molprobity Statistics. All-atom Clashscore : 98.41 Ramachandran Plot: Outliers : 1.76 % Allowed : 35.76 % Favored : 62.48 % Rotamer: Outliers : 32.06 % Allowed : 24.04 % Favored : 43.90 % Cbeta Deviations : 0.38 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.21 % Twisted Proline : 6.00 % Twisted General : 3.91 % 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: -7.07 (0.06), residues: 8464 helix: -4.48 (0.04), residues: 4576 sheet: -4.78 (0.15), residues: 528 loop : -4.81 (0.09), residues: 3360 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.049 0.010 TRP M 338 HIS 0.031 0.010 HIS L 474 PHE 0.083 0.010 PHE J 87 TYR 0.076 0.010 TYR E 462 ARG 0.033 0.003 ARG O 127 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 16928 Ramachandran restraints generated. 8464 Oldfield, 0 Emsley, 8464 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 16928 Ramachandran restraints generated. 8464 Oldfield, 0 Emsley, 8464 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3406 residues out of total 8256 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2565 poor density : 841 time to evaluate : 7.754 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 86 LYS cc_start: 0.9286 (OUTLIER) cc_final: 0.9083 (mtpp) REVERT: A 101 MET cc_start: 0.8865 (OUTLIER) cc_final: 0.8188 (tpt) REVERT: A 110 ARG cc_start: 0.9437 (OUTLIER) cc_final: 0.9013 (ttm-80) REVERT: A 127 ARG cc_start: 0.9265 (OUTLIER) cc_final: 0.8723 (mtp180) REVERT: A 131 TYR cc_start: 0.9508 (OUTLIER) cc_final: 0.8756 (t80) REVERT: A 133 LYS cc_start: 0.9092 (OUTLIER) cc_final: 0.8710 (tptt) REVERT: A 157 LYS cc_start: 0.6400 (OUTLIER) cc_final: 0.3681 (pttm) REVERT: A 210 ARG cc_start: 0.8329 (OUTLIER) cc_final: 0.7757 (tmm160) REVERT: A 397 ASP cc_start: 0.6540 (OUTLIER) cc_final: 0.6298 (t0) REVERT: A 426 TYR cc_start: 0.8599 (m-80) cc_final: 0.8396 (m-80) REVERT: A 447 TYR cc_start: 0.7593 (OUTLIER) cc_final: 0.7098 (t80) REVERT: A 480 HIS cc_start: 0.8640 (OUTLIER) cc_final: 0.8348 (p-80) REVERT: A 499 GLN cc_start: 0.9010 (tt0) cc_final: 0.8779 (mp10) REVERT: C 12 TYR cc_start: 0.9221 (OUTLIER) cc_final: 0.8574 (t80) REVERT: C 33 GLN cc_start: 0.7681 (OUTLIER) cc_final: 0.6543 (pp30) REVERT: C 110 ARG cc_start: 0.9440 (OUTLIER) cc_final: 0.8504 (ttm-80) REVERT: C 192 VAL cc_start: 0.9469 (OUTLIER) cc_final: 0.9166 (t) REVERT: C 199 LEU cc_start: 0.9724 (OUTLIER) cc_final: 0.9503 (tp) REVERT: C 371 ARG cc_start: 0.7390 (OUTLIER) cc_final: 0.6396 (mmm160) REVERT: C 397 ASP cc_start: 0.6529 (OUTLIER) cc_final: 0.6153 (t0) REVERT: C 462 TYR cc_start: 0.5663 (OUTLIER) cc_final: 0.4221 (m-10) REVERT: C 479 GLU cc_start: 0.5513 (OUTLIER) cc_final: 0.5100 (tp30) REVERT: C 487 PHE cc_start: 0.8088 (OUTLIER) cc_final: 0.7685 (t80) REVERT: C 534 LYS cc_start: 0.7696 (OUTLIER) cc_final: 0.7198 (mmmt) REVERT: C 567 MET cc_start: 0.6717 (tpp) cc_final: 0.6510 (tpp) REVERT: D 76 PHE cc_start: 0.9431 (OUTLIER) cc_final: 0.9085 (t80) REVERT: D 86 LYS cc_start: 0.9286 (OUTLIER) cc_final: 0.9081 (mtpp) REVERT: D 101 MET cc_start: 0.8860 (OUTLIER) cc_final: 0.8161 (tpt) REVERT: D 110 ARG cc_start: 0.9447 (OUTLIER) cc_final: 0.9058 (ttm-80) REVERT: D 127 ARG cc_start: 0.9328 (OUTLIER) cc_final: 0.9020 (mtm110) REVERT: D 131 TYR cc_start: 0.9510 (OUTLIER) cc_final: 0.8727 (t80) REVERT: D 133 LYS cc_start: 0.9115 (OUTLIER) cc_final: 0.8777 (tptt) REVERT: D 210 ARG cc_start: 0.8335 (OUTLIER) cc_final: 0.7756 (tmm160) REVERT: D 267 ARG cc_start: 0.9134 (OUTLIER) cc_final: 0.8522 (ttt180) REVERT: D 285 LEU cc_start: 0.9354 (OUTLIER) cc_final: 0.9126 (mm) REVERT: D 397 ASP cc_start: 0.6523 (OUTLIER) cc_final: 0.6269 (t0) REVERT: D 408 TYR cc_start: 0.8431 (OUTLIER) cc_final: 0.7978 (m-10) REVERT: D 426 TYR cc_start: 0.8589 (m-80) cc_final: 0.8368 (m-80) REVERT: D 430 LYS cc_start: 0.8950 (tmtt) cc_final: 0.8727 (tttp) REVERT: D 447 TYR cc_start: 0.7599 (OUTLIER) cc_final: 0.7095 (t80) REVERT: D 480 HIS cc_start: 0.8641 (OUTLIER) cc_final: 0.8343 (p-80) REVERT: D 499 GLN cc_start: 0.9007 (tt0) cc_final: 0.8776 (mp10) REVERT: E 12 TYR cc_start: 0.9223 (OUTLIER) cc_final: 0.8467 (t80) REVERT: E 110 ARG cc_start: 0.9446 (OUTLIER) cc_final: 0.8507 (ttm-80) REVERT: E 192 VAL cc_start: 0.9473 (OUTLIER) cc_final: 0.9172 (t) REVERT: E 199 LEU cc_start: 0.9727 (OUTLIER) cc_final: 0.9502 (tp) REVERT: E 371 ARG cc_start: 0.7390 (OUTLIER) cc_final: 0.6398 (mmm160) REVERT: E 397 ASP cc_start: 0.6535 (OUTLIER) cc_final: 0.6131 (t0) REVERT: E 462 TYR cc_start: 0.5817 (OUTLIER) cc_final: 0.4441 (m-10) REVERT: E 479 GLU cc_start: 0.5519 (OUTLIER) cc_final: 0.5096 (tp30) REVERT: E 487 PHE cc_start: 0.8142 (OUTLIER) cc_final: 0.7738 (t80) REVERT: E 534 LYS cc_start: 0.7701 (OUTLIER) cc_final: 0.7199 (mmmt) REVERT: F 74 GLN cc_start: 0.9401 (OUTLIER) cc_final: 0.9161 (tp40) REVERT: F 86 LYS cc_start: 0.9202 (OUTLIER) cc_final: 0.8955 (mtpp) REVERT: F 101 MET cc_start: 0.8877 (OUTLIER) cc_final: 0.8226 (tpt) REVERT: F 110 ARG cc_start: 0.9440 (OUTLIER) cc_final: 0.9062 (ttm-80) REVERT: F 127 ARG cc_start: 0.9327 (OUTLIER) cc_final: 0.9031 (mtm110) REVERT: F 131 TYR cc_start: 0.9513 (OUTLIER) cc_final: 0.8741 (t80) REVERT: F 133 LYS cc_start: 0.9121 (OUTLIER) cc_final: 0.8781 (tptt) REVERT: F 210 ARG cc_start: 0.8363 (OUTLIER) cc_final: 0.7788 (tmm160) REVERT: F 249 ASN cc_start: 0.9164 (OUTLIER) cc_final: 0.8892 (p0) REVERT: F 267 ARG cc_start: 0.9108 (OUTLIER) cc_final: 0.8520 (ttt180) REVERT: F 285 LEU cc_start: 0.9352 (OUTLIER) cc_final: 0.9127 (mm) REVERT: F 397 ASP cc_start: 0.6521 (OUTLIER) cc_final: 0.6262 (t0) REVERT: F 408 TYR cc_start: 0.8428 (OUTLIER) cc_final: 0.7980 (m-10) REVERT: F 426 TYR cc_start: 0.8579 (m-80) cc_final: 0.8372 (m-80) REVERT: F 430 LYS cc_start: 0.8947 (tmtt) cc_final: 0.8728 (tttp) REVERT: F 447 TYR cc_start: 0.7598 (OUTLIER) cc_final: 0.7096 (t80) REVERT: F 480 HIS cc_start: 0.8636 (OUTLIER) cc_final: 0.8345 (p-80) REVERT: F 499 GLN cc_start: 0.9010 (tt0) cc_final: 0.8777 (mp10) REVERT: G 12 TYR cc_start: 0.9220 (OUTLIER) cc_final: 0.8526 (t80) REVERT: G 110 ARG cc_start: 0.9441 (OUTLIER) cc_final: 0.8427 (ttm-80) REVERT: G 177 LYS cc_start: 0.9131 (OUTLIER) cc_final: 0.8786 (mttp) REVERT: G 195 MET cc_start: 0.8951 (tpp) cc_final: 0.8644 (tpp) REVERT: G 199 LEU cc_start: 0.9720 (OUTLIER) cc_final: 0.9492 (tp) REVERT: G 371 ARG cc_start: 0.7390 (OUTLIER) cc_final: 0.6388 (mmm160) REVERT: G 397 ASP cc_start: 0.6612 (OUTLIER) cc_final: 0.6151 (t0) REVERT: G 462 TYR cc_start: 0.5809 (OUTLIER) cc_final: 0.4443 (m-10) REVERT: G 479 GLU cc_start: 0.5520 (OUTLIER) cc_final: 0.5102 (tp30) REVERT: G 487 PHE cc_start: 0.8078 (OUTLIER) cc_final: 0.7686 (t80) REVERT: G 534 LYS cc_start: 0.7719 (OUTLIER) cc_final: 0.7214 (mmmt) REVERT: H 74 GLN cc_start: 0.9395 (OUTLIER) cc_final: 0.9152 (tp40) REVERT: H 101 MET cc_start: 0.8856 (OUTLIER) cc_final: 0.8164 (tpt) REVERT: H 110 ARG cc_start: 0.9450 (OUTLIER) cc_final: 0.9067 (ttm-80) REVERT: H 127 ARG cc_start: 0.9327 (OUTLIER) cc_final: 0.9032 (mtm110) REVERT: H 131 TYR cc_start: 0.9507 (OUTLIER) cc_final: 0.8721 (t80) REVERT: H 133 LYS cc_start: 0.9124 (OUTLIER) cc_final: 0.8788 (tptt) REVERT: H 210 ARG cc_start: 0.8336 (OUTLIER) cc_final: 0.7715 (tmm160) REVERT: H 249 ASN cc_start: 0.9163 (OUTLIER) cc_final: 0.8908 (p0) REVERT: H 267 ARG cc_start: 0.9124 (OUTLIER) cc_final: 0.8565 (ttt180) REVERT: H 285 LEU cc_start: 0.9359 (OUTLIER) cc_final: 0.9141 (mm) REVERT: H 397 ASP cc_start: 0.6520 (OUTLIER) cc_final: 0.6261 (t0) REVERT: H 408 TYR cc_start: 0.8420 (OUTLIER) cc_final: 0.7984 (m-10) REVERT: H 426 TYR cc_start: 0.8582 (m-80) cc_final: 0.8358 (m-80) REVERT: H 430 LYS cc_start: 0.8948 (tmtt) cc_final: 0.8739 (tttp) REVERT: H 441 ARG cc_start: 0.8996 (tmt-80) cc_final: 0.8795 (tmt-80) REVERT: H 447 TYR cc_start: 0.7601 (OUTLIER) cc_final: 0.7092 (t80) REVERT: H 480 HIS cc_start: 0.8636 (OUTLIER) cc_final: 0.8342 (p-80) REVERT: H 499 GLN cc_start: 0.9006 (tt0) cc_final: 0.8772 (mp10) REVERT: I 12 TYR cc_start: 0.9225 (OUTLIER) cc_final: 0.8465 (t80) REVERT: I 110 ARG cc_start: 0.9446 (OUTLIER) cc_final: 0.8515 (ttm-80) REVERT: I 195 MET cc_start: 0.8956 (tpp) cc_final: 0.8659 (tpp) REVERT: I 199 LEU cc_start: 0.9713 (OUTLIER) cc_final: 0.9497 (tp) REVERT: I 371 ARG cc_start: 0.7395 (OUTLIER) cc_final: 0.6392 (mmm160) REVERT: I 397 ASP cc_start: 0.6541 (OUTLIER) cc_final: 0.6169 (t0) REVERT: I 462 TYR cc_start: 0.5814 (OUTLIER) cc_final: 0.4433 (m-10) REVERT: I 479 GLU cc_start: 0.5522 (OUTLIER) cc_final: 0.5104 (tp30) REVERT: I 487 PHE cc_start: 0.8136 (OUTLIER) cc_final: 0.7732 (t80) REVERT: I 534 LYS cc_start: 0.7690 (OUTLIER) cc_final: 0.7134 (mmmt) REVERT: J 86 LYS cc_start: 0.9284 (OUTLIER) cc_final: 0.9070 (mtpp) REVERT: J 101 MET cc_start: 0.8851 (OUTLIER) cc_final: 0.8190 (tpt) REVERT: J 110 ARG cc_start: 0.9452 (OUTLIER) cc_final: 0.9074 (ttm-80) REVERT: J 127 ARG cc_start: 0.9315 (OUTLIER) cc_final: 0.9008 (mtm110) REVERT: J 131 TYR cc_start: 0.9510 (OUTLIER) cc_final: 0.8741 (t80) REVERT: J 133 LYS cc_start: 0.9080 (OUTLIER) cc_final: 0.8745 (tptt) REVERT: J 210 ARG cc_start: 0.8328 (OUTLIER) cc_final: 0.7758 (tmm160) REVERT: J 267 ARG cc_start: 0.9115 (OUTLIER) cc_final: 0.8503 (ttt180) REVERT: J 397 ASP cc_start: 0.6524 (OUTLIER) cc_final: 0.6269 (t0) REVERT: J 426 TYR cc_start: 0.8570 (m-80) cc_final: 0.8340 (m-80) REVERT: J 430 LYS cc_start: 0.8949 (tmtt) cc_final: 0.8724 (tttp) REVERT: J 447 TYR cc_start: 0.7592 (OUTLIER) cc_final: 0.7084 (t80) REVERT: J 480 HIS cc_start: 0.8641 (OUTLIER) cc_final: 0.8348 (p-80) REVERT: J 499 GLN cc_start: 0.9008 (tt0) cc_final: 0.8767 (mp10) REVERT: J 522 LYS cc_start: 0.8648 (OUTLIER) cc_final: 0.8413 (mmmt) REVERT: K 12 TYR cc_start: 0.9237 (OUTLIER) cc_final: 0.8427 (t80) REVERT: K 110 ARG cc_start: 0.9436 (OUTLIER) cc_final: 0.8489 (ttm-80) REVERT: K 192 VAL cc_start: 0.9472 (OUTLIER) cc_final: 0.9157 (t) REVERT: K 199 LEU cc_start: 0.9725 (OUTLIER) cc_final: 0.9502 (tp) REVERT: K 371 ARG cc_start: 0.7384 (OUTLIER) cc_final: 0.6422 (mmm160) REVERT: K 397 ASP cc_start: 0.6523 (OUTLIER) cc_final: 0.6144 (t0) REVERT: K 462 TYR cc_start: 0.5676 (OUTLIER) cc_final: 0.4217 (m-10) REVERT: K 479 GLU cc_start: 0.5503 (OUTLIER) cc_final: 0.5092 (tp30) REVERT: K 487 PHE cc_start: 0.8140 (OUTLIER) cc_final: 0.7741 (t80) REVERT: K 534 LYS cc_start: 0.7673 (OUTLIER) cc_final: 0.7168 (mmmt) REVERT: L 86 LYS cc_start: 0.9191 (OUTLIER) cc_final: 0.8938 (mtpp) REVERT: L 101 MET cc_start: 0.8860 (OUTLIER) cc_final: 0.8192 (tpt) REVERT: L 110 ARG cc_start: 0.9463 (OUTLIER) cc_final: 0.9097 (ttm-80) REVERT: L 131 TYR cc_start: 0.9511 (OUTLIER) cc_final: 0.8755 (t80) REVERT: L 133 LYS cc_start: 0.9092 (OUTLIER) cc_final: 0.8769 (tptt) REVERT: L 210 ARG cc_start: 0.8341 (OUTLIER) cc_final: 0.7763 (tmm160) REVERT: L 267 ARG cc_start: 0.9234 (OUTLIER) cc_final: 0.8784 (ttt180) REVERT: L 397 ASP cc_start: 0.6533 (OUTLIER) cc_final: 0.6280 (t0) REVERT: L 408 TYR cc_start: 0.8477 (OUTLIER) cc_final: 0.8028 (m-10) REVERT: L 447 TYR cc_start: 0.7596 (OUTLIER) cc_final: 0.7098 (t80) REVERT: L 480 HIS cc_start: 0.8639 (OUTLIER) cc_final: 0.8351 (p-80) REVERT: L 499 GLN cc_start: 0.9014 (tt0) cc_final: 0.8773 (mp10) REVERT: M 12 TYR cc_start: 0.9233 (OUTLIER) cc_final: 0.8527 (t80) REVERT: M 110 ARG cc_start: 0.9442 (OUTLIER) cc_final: 0.8513 (ttm-80) REVERT: M 195 MET cc_start: 0.8954 (tpp) cc_final: 0.8660 (tpp) REVERT: M 199 LEU cc_start: 0.9713 (OUTLIER) cc_final: 0.9505 (tp) REVERT: M 371 ARG cc_start: 0.7385 (OUTLIER) cc_final: 0.6383 (mmm160) REVERT: M 397 ASP cc_start: 0.6530 (OUTLIER) cc_final: 0.6158 (t0) REVERT: M 462 TYR cc_start: 0.5671 (OUTLIER) cc_final: 0.4234 (m-10) REVERT: M 479 GLU cc_start: 0.5510 (OUTLIER) cc_final: 0.5097 (tp30) REVERT: M 487 PHE cc_start: 0.8078 (OUTLIER) cc_final: 0.7682 (t80) REVERT: M 534 LYS cc_start: 0.7674 (OUTLIER) cc_final: 0.7165 (mmmt) REVERT: N 76 PHE cc_start: 0.9403 (OUTLIER) cc_final: 0.9108 (t80) REVERT: N 86 LYS cc_start: 0.9192 (OUTLIER) cc_final: 0.8934 (mtpp) REVERT: N 101 MET cc_start: 0.8883 (OUTLIER) cc_final: 0.8237 (tpt) REVERT: N 110 ARG cc_start: 0.9455 (OUTLIER) cc_final: 0.9088 (ttm-80) REVERT: N 127 ARG cc_start: 0.9348 (OUTLIER) cc_final: 0.9045 (mtm110) REVERT: N 131 TYR cc_start: 0.9512 (OUTLIER) cc_final: 0.8694 (t80) REVERT: N 133 LYS cc_start: 0.9102 (OUTLIER) cc_final: 0.8762 (tptt) REVERT: N 210 ARG cc_start: 0.8360 (OUTLIER) cc_final: 0.7745 (tmm160) REVERT: N 267 ARG cc_start: 0.9224 (OUTLIER) cc_final: 0.8780 (ttt180) REVERT: N 397 ASP cc_start: 0.6532 (OUTLIER) cc_final: 0.6279 (t0) REVERT: N 408 TYR cc_start: 0.8472 (OUTLIER) cc_final: 0.8035 (m-10) REVERT: N 426 TYR cc_start: 0.8592 (m-80) cc_final: 0.8347 (m-80) REVERT: N 447 TYR cc_start: 0.7597 (OUTLIER) cc_final: 0.7088 (t80) REVERT: N 480 HIS cc_start: 0.8638 (OUTLIER) cc_final: 0.8328 (p-80) REVERT: N 499 GLN cc_start: 0.9011 (tt0) cc_final: 0.8779 (mp10) REVERT: O 12 TYR cc_start: 0.9265 (OUTLIER) cc_final: 0.8450 (t80) REVERT: O 110 ARG cc_start: 0.9442 (OUTLIER) cc_final: 0.8449 (ttm-80) REVERT: O 195 MET cc_start: 0.8955 (tpp) cc_final: 0.8655 (tpp) REVERT: O 199 LEU cc_start: 0.9715 (OUTLIER) cc_final: 0.9490 (tp) REVERT: O 371 ARG cc_start: 0.7374 (OUTLIER) cc_final: 0.6377 (mmm160) REVERT: O 397 ASP cc_start: 0.6539 (OUTLIER) cc_final: 0.6165 (t0) REVERT: O 462 TYR cc_start: 0.5676 (OUTLIER) cc_final: 0.4240 (m-10) REVERT: O 479 GLU cc_start: 0.5515 (OUTLIER) cc_final: 0.5104 (tp30) REVERT: O 487 PHE cc_start: 0.8083 (OUTLIER) cc_final: 0.7689 (t80) REVERT: O 534 LYS cc_start: 0.7717 (OUTLIER) cc_final: 0.7211 (mmmt) REVERT: P 74 GLN cc_start: 0.9399 (OUTLIER) cc_final: 0.9147 (tp40) REVERT: P 86 LYS cc_start: 0.9196 (OUTLIER) cc_final: 0.8939 (mtpp) REVERT: P 101 MET cc_start: 0.8847 (OUTLIER) cc_final: 0.8191 (tpt) REVERT: P 110 ARG cc_start: 0.9467 (OUTLIER) cc_final: 0.9104 (ttm-80) REVERT: P 127 ARG cc_start: 0.9344 (OUTLIER) cc_final: 0.9028 (mtm110) REVERT: P 131 TYR cc_start: 0.9506 (OUTLIER) cc_final: 0.8726 (t80) REVERT: P 133 LYS cc_start: 0.9099 (OUTLIER) cc_final: 0.8762 (tptt) REVERT: P 210 ARG cc_start: 0.8348 (OUTLIER) cc_final: 0.7790 (tmm160) REVERT: P 267 ARG cc_start: 0.9228 (OUTLIER) cc_final: 0.8779 (ttt180) REVERT: P 397 ASP cc_start: 0.6531 (OUTLIER) cc_final: 0.6275 (t0) REVERT: P 408 TYR cc_start: 0.8467 (OUTLIER) cc_final: 0.8026 (m-10) REVERT: P 426 TYR cc_start: 0.8593 (m-80) cc_final: 0.8357 (m-80) REVERT: P 430 LYS cc_start: 0.8942 (tmtt) cc_final: 0.8727 (tttp) REVERT: P 447 TYR cc_start: 0.7602 (OUTLIER) cc_final: 0.7100 (t80) REVERT: P 480 HIS cc_start: 0.8639 (OUTLIER) cc_final: 0.8349 (p-80) REVERT: P 499 GLN cc_start: 0.9012 (tt0) cc_final: 0.8781 (mp10) REVERT: Q 12 TYR cc_start: 0.9232 (OUTLIER) cc_final: 0.8522 (t80) REVERT: Q 110 ARG cc_start: 0.9445 (OUTLIER) cc_final: 0.8496 (ttm-80) REVERT: Q 195 MET cc_start: 0.8949 (tpp) cc_final: 0.8646 (tpp) REVERT: Q 199 LEU cc_start: 0.9714 (OUTLIER) cc_final: 0.9495 (tp) REVERT: Q 371 ARG cc_start: 0.7389 (OUTLIER) cc_final: 0.6388 (mmm160) REVERT: Q 397 ASP cc_start: 0.6542 (OUTLIER) cc_final: 0.6162 (t0) REVERT: Q 462 TYR cc_start: 0.5825 (OUTLIER) cc_final: 0.4446 (m-10) REVERT: Q 479 GLU cc_start: 0.5511 (OUTLIER) cc_final: 0.5086 (tp30) REVERT: Q 487 PHE cc_start: 0.8135 (OUTLIER) cc_final: 0.7742 (t80) REVERT: Q 534 LYS cc_start: 0.7696 (OUTLIER) cc_final: 0.7189 (mmmt) outliers start: 2565 outliers final: 1817 residues processed: 3182 average time/residue: 0.9354 time to fit residues: 5203.9466 Evaluate side-chains 2796 residues out of total 8256 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1997 poor density : 799 time to evaluate : 6.698 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 12 TYR Chi-restraints excluded: chain A residue 13 LYS Chi-restraints excluded: chain A residue 19 PHE Chi-restraints excluded: chain A residue 25 ASP Chi-restraints excluded: chain A residue 33 GLN Chi-restraints excluded: chain A residue 34 ASP Chi-restraints excluded: chain A residue 38 SER Chi-restraints excluded: chain A residue 39 ILE Chi-restraints excluded: chain A residue 40 LEU Chi-restraints excluded: chain A residue 41 SER Chi-restraints excluded: chain A residue 46 ASP Chi-restraints excluded: chain A residue 51 SER Chi-restraints excluded: chain A residue 58 THR Chi-restraints excluded: chain A residue 77 VAL Chi-restraints excluded: chain A residue 81 LEU Chi-restraints excluded: chain A residue 82 ARG Chi-restraints excluded: chain A residue 86 LYS Chi-restraints excluded: chain A residue 93 LYS Chi-restraints excluded: chain A residue 97 ARG Chi-restraints excluded: chain A residue 101 MET Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 110 ARG Chi-restraints excluded: chain A residue 124 ASN Chi-restraints excluded: chain A residue 126 SER Chi-restraints excluded: chain A residue 127 ARG Chi-restraints excluded: chain A residue 131 TYR Chi-restraints excluded: chain A residue 133 LYS Chi-restraints excluded: chain A residue 135 ARG Chi-restraints excluded: chain A residue 141 LEU Chi-restraints excluded: chain A residue 153 LEU Chi-restraints excluded: chain A residue 157 LYS Chi-restraints excluded: chain A residue 158 THR Chi-restraints excluded: chain A residue 162 LEU Chi-restraints excluded: chain A residue 164 VAL Chi-restraints excluded: chain A residue 166 LEU Chi-restraints excluded: chain A residue 173 LYS Chi-restraints excluded: chain A residue 179 PHE Chi-restraints excluded: chain A residue 199 LEU Chi-restraints excluded: chain A residue 203 ILE Chi-restraints excluded: chain A residue 204 ASP Chi-restraints excluded: chain A residue 208 THR Chi-restraints excluded: chain A residue 210 ARG Chi-restraints excluded: chain A residue 211 SER Chi-restraints excluded: chain A residue 217 ILE Chi-restraints excluded: chain A residue 218 LYS Chi-restraints excluded: chain A residue 219 LEU Chi-restraints excluded: chain A residue 221 ILE Chi-restraints excluded: chain A residue 234 SER Chi-restraints excluded: chain A residue 239 ASN Chi-restraints excluded: chain A residue 242 LEU Chi-restraints excluded: chain A residue 247 VAL Chi-restraints excluded: chain A residue 249 ASN Chi-restraints excluded: chain A residue 254 ASN Chi-restraints excluded: chain A residue 258 LEU Chi-restraints excluded: chain A residue 266 THR Chi-restraints excluded: chain A residue 271 VAL Chi-restraints excluded: chain A residue 273 ASP Chi-restraints excluded: chain A residue 280 THR Chi-restraints excluded: chain A residue 281 THR Chi-restraints excluded: chain A residue 284 SER Chi-restraints excluded: chain A residue 288 HIS Chi-restraints excluded: chain A residue 290 MET Chi-restraints excluded: chain A residue 292 LEU Chi-restraints excluded: chain A residue 293 THR Chi-restraints excluded: chain A residue 297 VAL Chi-restraints excluded: chain A residue 299 SER Chi-restraints excluded: chain A residue 305 LEU Chi-restraints excluded: chain A residue 306 ASP Chi-restraints excluded: chain A residue 307 CYS Chi-restraints excluded: chain A residue 319 THR Chi-restraints excluded: chain A residue 321 PRO Chi-restraints excluded: chain A residue 322 ARG Chi-restraints excluded: chain A residue 325 SER Chi-restraints excluded: chain A residue 330 SER Chi-restraints excluded: chain A residue 331 ILE Chi-restraints excluded: chain A residue 333 ASP Chi-restraints excluded: chain A residue 338 TRP Chi-restraints excluded: chain A residue 339 ASP Chi-restraints excluded: chain A residue 342 LYS Chi-restraints excluded: chain A residue 349 LEU Chi-restraints excluded: chain A residue 351 THR Chi-restraints excluded: chain A residue 352 ILE Chi-restraints excluded: chain A residue 353 ILE Chi-restraints excluded: chain A residue 359 VAL Chi-restraints excluded: chain A residue 365 TYR Chi-restraints excluded: chain A residue 370 ASP Chi-restraints excluded: chain A residue 373 SER Chi-restraints excluded: chain A residue 381 ILE Chi-restraints excluded: chain A residue 383 THR Chi-restraints excluded: chain A residue 384 ILE Chi-restraints excluded: chain A residue 385 LEU Chi-restraints excluded: chain A residue 397 ASP Chi-restraints excluded: chain A residue 398 VAL Chi-restraints excluded: chain A residue 406 HIS Chi-restraints excluded: chain A residue 407 LYS Chi-restraints excluded: chain A residue 408 TYR Chi-restraints excluded: chain A residue 413 LYS Chi-restraints excluded: chain A residue 419 THR Chi-restraints excluded: chain A residue 421 SER Chi-restraints excluded: chain A residue 425 ILE Chi-restraints excluded: chain A residue 431 VAL Chi-restraints excluded: chain A residue 443 ILE Chi-restraints excluded: chain A residue 447 TYR Chi-restraints excluded: chain A residue 456 ASP Chi-restraints excluded: chain A residue 457 ASP Chi-restraints excluded: chain A residue 462 TYR Chi-restraints excluded: chain A residue 463 LEU Chi-restraints excluded: chain A residue 471 ILE Chi-restraints excluded: chain A residue 478 ILE Chi-restraints excluded: chain A residue 479 GLU Chi-restraints excluded: chain A residue 480 HIS Chi-restraints excluded: chain A residue 490 VAL Chi-restraints excluded: chain A residue 497 LEU Chi-restraints excluded: chain A residue 501 ILE Chi-restraints excluded: chain A residue 528 ILE Chi-restraints excluded: chain A residue 533 PRO Chi-restraints excluded: chain A residue 536 GLU Chi-restraints excluded: chain A residue 539 VAL Chi-restraints excluded: chain A residue 544 ASP Chi-restraints excluded: chain A residue 549 ILE Chi-restraints excluded: chain A residue 564 ILE Chi-restraints excluded: chain A residue 570 ASP Chi-restraints excluded: chain A residue 576 GLU Chi-restraints excluded: chain C residue 11 GLN Chi-restraints excluded: chain C residue 12 TYR Chi-restraints excluded: chain C residue 13 LYS Chi-restraints excluded: chain C residue 19 PHE Chi-restraints excluded: chain C residue 25 ASP Chi-restraints excluded: chain C residue 26 ASN Chi-restraints excluded: chain C residue 32 VAL Chi-restraints excluded: chain C residue 33 GLN Chi-restraints excluded: chain C residue 38 SER Chi-restraints excluded: chain C residue 39 ILE Chi-restraints excluded: chain C residue 41 SER Chi-restraints excluded: chain C residue 44 GLU Chi-restraints excluded: chain C residue 50 MET Chi-restraints excluded: chain C residue 51 SER Chi-restraints excluded: chain C residue 58 THR Chi-restraints excluded: chain C residue 66 LEU Chi-restraints excluded: chain C residue 77 VAL Chi-restraints excluded: chain C residue 80 VAL Chi-restraints excluded: chain C residue 81 LEU Chi-restraints excluded: chain C residue 82 ARG Chi-restraints excluded: chain C residue 83 ILE Chi-restraints excluded: chain C residue 85 TYR Chi-restraints excluded: chain C residue 92 ILE Chi-restraints excluded: chain C residue 94 THR Chi-restraints excluded: chain C residue 97 ARG Chi-restraints excluded: chain C residue 107 ILE Chi-restraints excluded: chain C residue 110 ARG Chi-restraints excluded: chain C residue 127 ARG Chi-restraints excluded: chain C residue 131 TYR Chi-restraints excluded: chain C residue 139 LEU Chi-restraints excluded: chain C residue 141 LEU Chi-restraints excluded: chain C residue 150 ASP Chi-restraints excluded: chain C residue 153 LEU Chi-restraints excluded: chain C residue 157 LYS Chi-restraints excluded: chain C residue 158 THR Chi-restraints excluded: chain C residue 188 SER Chi-restraints excluded: chain C residue 191 THR Chi-restraints excluded: chain C residue 192 VAL Chi-restraints excluded: chain C residue 199 LEU Chi-restraints excluded: chain C residue 204 ASP Chi-restraints excluded: chain C residue 208 THR Chi-restraints excluded: chain C residue 219 LEU Chi-restraints excluded: chain C residue 221 ILE Chi-restraints excluded: chain C residue 225 GLN Chi-restraints excluded: chain C residue 234 SER Chi-restraints excluded: chain C residue 239 ASN Chi-restraints excluded: chain C residue 241 LEU Chi-restraints excluded: chain C residue 246 ASN Chi-restraints excluded: chain C residue 249 ASN Chi-restraints excluded: chain C residue 258 LEU Chi-restraints excluded: chain C residue 262 ILE Chi-restraints excluded: chain C residue 264 LEU Chi-restraints excluded: chain C residue 266 THR Chi-restraints excluded: chain C residue 273 ASP Chi-restraints excluded: chain C residue 275 LEU Chi-restraints excluded: chain C residue 279 THR Chi-restraints excluded: chain C residue 280 THR Chi-restraints excluded: chain C residue 281 THR Chi-restraints excluded: chain C residue 284 SER Chi-restraints excluded: chain C residue 285 LEU Chi-restraints excluded: chain C residue 288 HIS Chi-restraints excluded: chain C residue 292 LEU Chi-restraints excluded: chain C residue 293 THR Chi-restraints excluded: chain C residue 305 LEU Chi-restraints excluded: chain C residue 319 THR Chi-restraints excluded: chain C residue 321 PRO Chi-restraints excluded: chain C residue 324 LEU Chi-restraints excluded: chain C residue 325 SER Chi-restraints excluded: chain C residue 326 ILE Chi-restraints excluded: chain C residue 330 SER Chi-restraints excluded: chain C residue 331 ILE Chi-restraints excluded: chain C residue 333 ASP Chi-restraints excluded: chain C residue 339 ASP Chi-restraints excluded: chain C residue 342 LYS Chi-restraints excluded: chain C residue 351 THR Chi-restraints excluded: chain C residue 352 ILE Chi-restraints excluded: chain C residue 353 ILE Chi-restraints excluded: chain C residue 359 VAL Chi-restraints excluded: chain C residue 367 LYS Chi-restraints excluded: chain C residue 370 ASP Chi-restraints excluded: chain C residue 371 ARG Chi-restraints excluded: chain C residue 373 SER Chi-restraints excluded: chain C residue 381 ILE Chi-restraints excluded: chain C residue 383 THR Chi-restraints excluded: chain C residue 384 ILE Chi-restraints excluded: chain C residue 385 LEU Chi-restraints excluded: chain C residue 389 ILE Chi-restraints excluded: chain C residue 397 ASP Chi-restraints excluded: chain C residue 406 HIS Chi-restraints excluded: chain C residue 408 TYR Chi-restraints excluded: chain C residue 413 LYS Chi-restraints excluded: chain C residue 425 ILE Chi-restraints excluded: chain C residue 431 VAL Chi-restraints excluded: chain C residue 443 ILE Chi-restraints excluded: chain C residue 447 TYR Chi-restraints excluded: chain C residue 452 THR Chi-restraints excluded: chain C residue 456 ASP Chi-restraints excluded: chain C residue 457 ASP Chi-restraints excluded: chain C residue 462 TYR Chi-restraints excluded: chain C residue 471 ILE Chi-restraints excluded: chain C residue 478 ILE Chi-restraints excluded: chain C residue 479 GLU Chi-restraints excluded: chain C residue 485 THR Chi-restraints excluded: chain C residue 487 PHE Chi-restraints excluded: chain C residue 494 PHE Chi-restraints excluded: chain C residue 497 LEU Chi-restraints excluded: chain C residue 501 ILE Chi-restraints excluded: chain C residue 516 ASN Chi-restraints excluded: chain C residue 524 TYR Chi-restraints excluded: chain C residue 528 ILE Chi-restraints excluded: chain C residue 533 PRO Chi-restraints excluded: chain C residue 534 LYS Chi-restraints excluded: chain C residue 536 GLU Chi-restraints excluded: chain C residue 539 VAL Chi-restraints excluded: chain C residue 544 ASP Chi-restraints excluded: chain C residue 549 ILE Chi-restraints excluded: chain C residue 560 ASP Chi-restraints excluded: chain C residue 570 ASP Chi-restraints excluded: chain C residue 580 GLN Chi-restraints excluded: chain C residue 582 GLN Chi-restraints excluded: chain D residue 12 TYR Chi-restraints excluded: chain D residue 13 LYS Chi-restraints excluded: chain D residue 19 PHE Chi-restraints excluded: chain D residue 25 ASP Chi-restraints excluded: chain D residue 33 GLN Chi-restraints excluded: chain D residue 34 ASP Chi-restraints excluded: chain D residue 38 SER Chi-restraints excluded: chain D residue 39 ILE Chi-restraints excluded: chain D residue 40 LEU Chi-restraints excluded: chain D residue 41 SER Chi-restraints excluded: chain D residue 46 ASP Chi-restraints excluded: chain D residue 51 SER Chi-restraints excluded: chain D residue 58 THR Chi-restraints excluded: chain D residue 76 PHE Chi-restraints excluded: chain D residue 77 VAL Chi-restraints excluded: chain D residue 82 ARG Chi-restraints excluded: chain D residue 86 LYS Chi-restraints excluded: chain D residue 93 LYS Chi-restraints excluded: chain D residue 97 ARG Chi-restraints excluded: chain D residue 101 MET Chi-restraints excluded: chain D residue 107 ILE Chi-restraints excluded: chain D residue 110 ARG Chi-restraints excluded: chain D residue 124 ASN Chi-restraints excluded: chain D residue 127 ARG Chi-restraints excluded: chain D residue 131 TYR Chi-restraints excluded: chain D residue 133 LYS Chi-restraints excluded: chain D residue 135 ARG Chi-restraints excluded: chain D residue 141 LEU Chi-restraints excluded: chain D residue 153 LEU Chi-restraints excluded: chain D residue 157 LYS Chi-restraints excluded: chain D residue 158 THR Chi-restraints excluded: chain D residue 160 VAL Chi-restraints excluded: chain D residue 162 LEU Chi-restraints excluded: chain D residue 164 VAL Chi-restraints excluded: chain D residue 166 LEU Chi-restraints excluded: chain D residue 173 LYS Chi-restraints excluded: chain D residue 177 LYS Chi-restraints excluded: chain D residue 179 PHE Chi-restraints excluded: chain D residue 199 LEU Chi-restraints excluded: chain D residue 203 ILE Chi-restraints excluded: chain D residue 204 ASP Chi-restraints excluded: chain D residue 208 THR Chi-restraints excluded: chain D residue 210 ARG Chi-restraints excluded: chain D residue 211 SER Chi-restraints excluded: chain D residue 217 ILE Chi-restraints excluded: chain D residue 218 LYS Chi-restraints excluded: chain D residue 219 LEU Chi-restraints excluded: chain D residue 221 ILE Chi-restraints excluded: chain D residue 234 SER Chi-restraints excluded: chain D residue 236 PRO Chi-restraints excluded: chain D residue 239 ASN Chi-restraints excluded: chain D residue 242 LEU Chi-restraints excluded: chain D residue 245 LEU Chi-restraints excluded: chain D residue 247 VAL Chi-restraints excluded: chain D residue 249 ASN Chi-restraints excluded: chain D residue 254 ASN Chi-restraints excluded: chain D residue 258 LEU Chi-restraints excluded: chain D residue 266 THR Chi-restraints excluded: chain D residue 267 ARG Chi-restraints excluded: chain D residue 271 VAL Chi-restraints excluded: chain D residue 273 ASP Chi-restraints excluded: chain D residue 280 THR Chi-restraints excluded: chain D residue 281 THR Chi-restraints excluded: chain D residue 284 SER Chi-restraints excluded: chain D residue 285 LEU Chi-restraints excluded: chain D residue 288 HIS Chi-restraints excluded: chain D residue 290 MET Chi-restraints excluded: chain D residue 292 LEU Chi-restraints excluded: chain D residue 293 THR Chi-restraints excluded: chain D residue 297 VAL Chi-restraints excluded: chain D residue 299 SER Chi-restraints excluded: chain D residue 305 LEU Chi-restraints excluded: chain D residue 306 ASP Chi-restraints excluded: chain D residue 307 CYS Chi-restraints excluded: chain D residue 319 THR Chi-restraints excluded: chain D residue 322 ARG Chi-restraints excluded: chain D residue 323 ARG Chi-restraints excluded: chain D residue 324 LEU Chi-restraints excluded: chain D residue 330 SER Chi-restraints excluded: chain D residue 331 ILE Chi-restraints excluded: chain D residue 333 ASP Chi-restraints excluded: chain D residue 338 TRP Chi-restraints excluded: chain D residue 339 ASP Chi-restraints excluded: chain D residue 342 LYS Chi-restraints excluded: chain D residue 349 LEU Chi-restraints excluded: chain D residue 351 THR Chi-restraints excluded: chain D residue 352 ILE Chi-restraints excluded: chain D residue 353 ILE Chi-restraints excluded: chain D residue 359 VAL Chi-restraints excluded: chain D residue 365 TYR Chi-restraints excluded: chain D residue 370 ASP Chi-restraints excluded: chain D residue 373 SER Chi-restraints excluded: chain D residue 381 ILE Chi-restraints excluded: chain D residue 383 THR Chi-restraints excluded: chain D residue 384 ILE Chi-restraints excluded: chain D residue 385 LEU Chi-restraints excluded: chain D residue 397 ASP Chi-restraints excluded: chain D residue 398 VAL Chi-restraints excluded: chain D residue 400 VAL Chi-restraints excluded: chain D residue 406 HIS Chi-restraints excluded: chain D residue 407 LYS Chi-restraints excluded: chain D residue 408 TYR Chi-restraints excluded: chain D residue 413 LYS Chi-restraints excluded: chain D residue 419 THR Chi-restraints excluded: chain D residue 421 SER Chi-restraints excluded: chain D residue 425 ILE Chi-restraints excluded: chain D residue 431 VAL Chi-restraints excluded: chain D residue 443 ILE Chi-restraints excluded: chain D residue 447 TYR Chi-restraints excluded: chain D residue 456 ASP Chi-restraints excluded: chain D residue 457 ASP Chi-restraints excluded: chain D residue 462 TYR Chi-restraints excluded: chain D residue 463 LEU Chi-restraints excluded: chain D residue 471 ILE Chi-restraints excluded: chain D residue 478 ILE Chi-restraints excluded: chain D residue 479 GLU Chi-restraints excluded: chain D residue 480 HIS Chi-restraints excluded: chain D residue 490 VAL Chi-restraints excluded: chain D residue 497 LEU Chi-restraints excluded: chain D residue 501 ILE Chi-restraints excluded: chain D residue 528 ILE Chi-restraints excluded: chain D residue 533 PRO Chi-restraints excluded: chain D residue 536 GLU Chi-restraints excluded: chain D residue 539 VAL Chi-restraints excluded: chain D residue 544 ASP Chi-restraints excluded: chain D residue 549 ILE Chi-restraints excluded: chain D residue 564 ILE Chi-restraints excluded: chain D residue 570 ASP Chi-restraints excluded: chain D residue 576 GLU Chi-restraints excluded: chain E residue 11 GLN Chi-restraints excluded: chain E residue 12 TYR Chi-restraints excluded: chain E residue 13 LYS Chi-restraints excluded: chain E residue 19 PHE Chi-restraints excluded: chain E residue 25 ASP Chi-restraints excluded: chain E residue 26 ASN Chi-restraints excluded: chain E residue 32 VAL Chi-restraints excluded: chain E residue 34 ASP Chi-restraints excluded: chain E residue 35 MET Chi-restraints excluded: chain E residue 38 SER Chi-restraints excluded: chain E residue 39 ILE Chi-restraints excluded: chain E residue 41 SER Chi-restraints excluded: chain E residue 44 GLU Chi-restraints excluded: chain E residue 50 MET Chi-restraints excluded: chain E residue 51 SER Chi-restraints excluded: chain E residue 58 THR Chi-restraints excluded: chain E residue 66 LEU Chi-restraints excluded: chain E residue 77 VAL Chi-restraints excluded: chain E residue 80 VAL Chi-restraints excluded: chain E residue 81 LEU Chi-restraints excluded: chain E residue 82 ARG Chi-restraints excluded: chain E residue 83 ILE Chi-restraints excluded: chain E residue 85 TYR Chi-restraints excluded: chain E residue 92 ILE Chi-restraints excluded: chain E residue 94 THR Chi-restraints excluded: chain E residue 97 ARG Chi-restraints excluded: chain E residue 107 ILE Chi-restraints excluded: chain E residue 110 ARG Chi-restraints excluded: chain E residue 127 ARG Chi-restraints excluded: chain E residue 131 TYR Chi-restraints excluded: chain E residue 139 LEU Chi-restraints excluded: chain E residue 141 LEU Chi-restraints excluded: chain E residue 150 ASP Chi-restraints excluded: chain E residue 153 LEU Chi-restraints excluded: chain E residue 157 LYS Chi-restraints excluded: chain E residue 158 THR Chi-restraints excluded: chain E residue 160 VAL Chi-restraints excluded: chain E residue 188 SER Chi-restraints excluded: chain E residue 191 THR Chi-restraints excluded: chain E residue 192 VAL Chi-restraints excluded: chain E residue 199 LEU Chi-restraints excluded: chain E residue 204 ASP Chi-restraints excluded: chain E residue 208 THR Chi-restraints excluded: chain E residue 219 LEU Chi-restraints excluded: chain E residue 221 ILE Chi-restraints excluded: chain E residue 225 GLN Chi-restraints excluded: chain E residue 234 SER Chi-restraints excluded: chain E residue 239 ASN Chi-restraints excluded: chain E residue 241 LEU Chi-restraints excluded: chain E residue 246 ASN Chi-restraints excluded: chain E residue 249 ASN Chi-restraints excluded: chain E residue 258 LEU Chi-restraints excluded: chain E residue 262 ILE Chi-restraints excluded: chain E residue 266 THR Chi-restraints excluded: chain E residue 273 ASP Chi-restraints excluded: chain E residue 279 THR Chi-restraints excluded: chain E residue 280 THR Chi-restraints excluded: chain E residue 281 THR Chi-restraints excluded: chain E residue 284 SER Chi-restraints excluded: chain E residue 285 LEU Chi-restraints excluded: chain E residue 288 HIS Chi-restraints excluded: chain E residue 292 LEU Chi-restraints excluded: chain E residue 293 THR Chi-restraints excluded: chain E residue 305 LEU Chi-restraints excluded: chain E residue 319 THR Chi-restraints excluded: chain E residue 321 PRO Chi-restraints excluded: chain E residue 323 ARG Chi-restraints excluded: chain E residue 324 LEU Chi-restraints excluded: chain E residue 325 SER Chi-restraints excluded: chain E residue 326 ILE Chi-restraints excluded: chain E residue 330 SER Chi-restraints excluded: chain E residue 331 ILE Chi-restraints excluded: chain E residue 333 ASP Chi-restraints excluded: chain E residue 339 ASP Chi-restraints excluded: chain E residue 342 LYS Chi-restraints excluded: chain E residue 351 THR Chi-restraints excluded: chain E residue 352 ILE Chi-restraints excluded: chain E residue 353 ILE Chi-restraints excluded: chain E residue 359 VAL Chi-restraints excluded: chain E residue 367 LYS Chi-restraints excluded: chain E residue 370 ASP Chi-restraints excluded: chain E residue 371 ARG Chi-restraints excluded: chain E residue 373 SER Chi-restraints excluded: chain E residue 381 ILE Chi-restraints excluded: chain E residue 383 THR Chi-restraints excluded: chain E residue 384 ILE Chi-restraints excluded: chain E residue 385 LEU Chi-restraints excluded: chain E residue 389 ILE Chi-restraints excluded: chain E residue 397 ASP Chi-restraints excluded: chain E residue 406 HIS Chi-restraints excluded: chain E residue 408 TYR Chi-restraints excluded: chain E residue 413 LYS Chi-restraints excluded: chain E residue 425 ILE Chi-restraints excluded: chain E residue 431 VAL Chi-restraints excluded: chain E residue 443 ILE Chi-restraints excluded: chain E residue 447 TYR Chi-restraints excluded: chain E residue 452 THR Chi-restraints excluded: chain E residue 456 ASP Chi-restraints excluded: chain E residue 457 ASP Chi-restraints excluded: chain E residue 462 TYR Chi-restraints excluded: chain E residue 471 ILE Chi-restraints excluded: chain E residue 478 ILE Chi-restraints excluded: chain E residue 479 GLU Chi-restraints excluded: chain E residue 485 THR Chi-restraints excluded: chain E residue 487 PHE Chi-restraints excluded: chain E residue 494 PHE Chi-restraints excluded: chain E residue 497 LEU Chi-restraints excluded: chain E residue 501 ILE Chi-restraints excluded: chain E residue 516 ASN Chi-restraints excluded: chain E residue 524 TYR Chi-restraints excluded: chain E residue 528 ILE Chi-restraints excluded: chain E residue 533 PRO Chi-restraints excluded: chain E residue 534 LYS Chi-restraints excluded: chain E residue 536 GLU Chi-restraints excluded: chain E residue 539 VAL Chi-restraints excluded: chain E residue 544 ASP Chi-restraints excluded: chain E residue 549 ILE Chi-restraints excluded: chain E residue 560 ASP Chi-restraints excluded: chain E residue 570 ASP Chi-restraints excluded: chain E residue 580 GLN Chi-restraints excluded: chain E residue 582 GLN Chi-restraints excluded: chain F residue 12 TYR Chi-restraints excluded: chain F residue 13 LYS Chi-restraints excluded: chain F residue 19 PHE Chi-restraints excluded: chain F residue 25 ASP Chi-restraints excluded: chain F residue 33 GLN Chi-restraints excluded: chain F residue 34 ASP Chi-restraints excluded: chain F residue 38 SER Chi-restraints excluded: chain F residue 39 ILE Chi-restraints excluded: chain F residue 40 LEU Chi-restraints excluded: chain F residue 41 SER Chi-restraints excluded: chain F residue 46 ASP Chi-restraints excluded: chain F residue 51 SER Chi-restraints excluded: chain F residue 58 THR Chi-restraints excluded: chain F residue 74 GLN Chi-restraints excluded: chain F residue 77 VAL Chi-restraints excluded: chain F residue 81 LEU Chi-restraints excluded: chain F residue 82 ARG Chi-restraints excluded: chain F residue 86 LYS Chi-restraints excluded: chain F residue 87 PHE Chi-restraints excluded: chain F residue 93 LYS Chi-restraints excluded: chain F residue 97 ARG Chi-restraints excluded: chain F residue 101 MET Chi-restraints excluded: chain F residue 103 THR Chi-restraints excluded: chain F residue 107 ILE Chi-restraints excluded: chain F residue 110 ARG Chi-restraints excluded: chain F residue 124 ASN Chi-restraints excluded: chain F residue 127 ARG Chi-restraints excluded: chain F residue 131 TYR Chi-restraints excluded: chain F residue 133 LYS Chi-restraints excluded: chain F residue 135 ARG Chi-restraints excluded: chain F residue 141 LEU Chi-restraints excluded: chain F residue 157 LYS Chi-restraints excluded: chain F residue 158 THR Chi-restraints excluded: chain F residue 160 VAL Chi-restraints excluded: chain F residue 162 LEU Chi-restraints excluded: chain F residue 164 VAL Chi-restraints excluded: chain F residue 166 LEU Chi-restraints excluded: chain F residue 173 LYS Chi-restraints excluded: chain F residue 177 LYS Chi-restraints excluded: chain F residue 179 PHE Chi-restraints excluded: chain F residue 199 LEU Chi-restraints excluded: chain F residue 203 ILE Chi-restraints excluded: chain F residue 204 ASP Chi-restraints excluded: chain F residue 208 THR Chi-restraints excluded: chain F residue 210 ARG Chi-restraints excluded: chain F residue 211 SER Chi-restraints excluded: chain F residue 217 ILE Chi-restraints excluded: chain F residue 218 LYS Chi-restraints excluded: chain F residue 219 LEU Chi-restraints excluded: chain F residue 221 ILE Chi-restraints excluded: chain F residue 234 SER Chi-restraints excluded: chain F residue 239 ASN Chi-restraints excluded: chain F residue 242 LEU Chi-restraints excluded: chain F residue 247 VAL Chi-restraints excluded: chain F residue 249 ASN Chi-restraints excluded: chain F residue 254 ASN Chi-restraints excluded: chain F residue 258 LEU Chi-restraints excluded: chain F residue 266 THR Chi-restraints excluded: chain F residue 267 ARG Chi-restraints excluded: chain F residue 271 VAL Chi-restraints excluded: chain F residue 273 ASP Chi-restraints excluded: chain F residue 280 THR Chi-restraints excluded: chain F residue 281 THR Chi-restraints excluded: chain F residue 284 SER Chi-restraints excluded: chain F residue 285 LEU Chi-restraints excluded: chain F residue 288 HIS Chi-restraints excluded: chain F residue 290 MET Chi-restraints excluded: chain F residue 292 LEU Chi-restraints excluded: chain F residue 293 THR Chi-restraints excluded: chain F residue 297 VAL Chi-restraints excluded: chain F residue 299 SER Chi-restraints excluded: chain F residue 305 LEU Chi-restraints excluded: chain F residue 306 ASP Chi-restraints excluded: chain F residue 307 CYS Chi-restraints excluded: chain F residue 319 THR Chi-restraints excluded: chain F residue 322 ARG Chi-restraints excluded: chain F residue 323 ARG Chi-restraints excluded: chain F residue 324 LEU Chi-restraints excluded: chain F residue 325 SER Chi-restraints excluded: chain F residue 330 SER Chi-restraints excluded: chain F residue 331 ILE Chi-restraints excluded: chain F residue 333 ASP Chi-restraints excluded: chain F residue 338 TRP Chi-restraints excluded: chain F residue 339 ASP Chi-restraints excluded: chain F residue 342 LYS Chi-restraints excluded: chain F residue 349 LEU Chi-restraints excluded: chain F residue 351 THR Chi-restraints excluded: chain F residue 352 ILE Chi-restraints excluded: chain F residue 353 ILE Chi-restraints excluded: chain F residue 359 VAL Chi-restraints excluded: chain F residue 365 TYR Chi-restraints excluded: chain F residue 370 ASP Chi-restraints excluded: chain F residue 373 SER Chi-restraints excluded: chain F residue 381 ILE Chi-restraints excluded: chain F residue 383 THR Chi-restraints excluded: chain F residue 384 ILE Chi-restraints excluded: chain F residue 385 LEU Chi-restraints excluded: chain F residue 397 ASP Chi-restraints excluded: chain F residue 398 VAL Chi-restraints excluded: chain F residue 400 VAL Chi-restraints excluded: chain F residue 406 HIS Chi-restraints excluded: chain F residue 407 LYS Chi-restraints excluded: chain F residue 408 TYR Chi-restraints excluded: chain F residue 413 LYS Chi-restraints excluded: chain F residue 419 THR Chi-restraints excluded: chain F residue 421 SER Chi-restraints excluded: chain F residue 425 ILE Chi-restraints excluded: chain F residue 431 VAL Chi-restraints excluded: chain F residue 443 ILE Chi-restraints excluded: chain F residue 447 TYR Chi-restraints excluded: chain F residue 456 ASP Chi-restraints excluded: chain F residue 457 ASP Chi-restraints excluded: chain F residue 462 TYR Chi-restraints excluded: chain F residue 463 LEU Chi-restraints excluded: chain F residue 471 ILE Chi-restraints excluded: chain F residue 478 ILE Chi-restraints excluded: chain F residue 479 GLU Chi-restraints excluded: chain F residue 480 HIS Chi-restraints excluded: chain F residue 490 VAL Chi-restraints excluded: chain F residue 497 LEU Chi-restraints excluded: chain F residue 501 ILE Chi-restraints excluded: chain F residue 528 ILE Chi-restraints excluded: chain F residue 533 PRO Chi-restraints excluded: chain F residue 536 GLU Chi-restraints excluded: chain F residue 539 VAL Chi-restraints excluded: chain F residue 544 ASP Chi-restraints excluded: chain F residue 549 ILE Chi-restraints excluded: chain F residue 564 ILE Chi-restraints excluded: chain F residue 570 ASP Chi-restraints excluded: chain F residue 576 GLU Chi-restraints excluded: chain G residue 11 GLN Chi-restraints excluded: chain G residue 12 TYR Chi-restraints excluded: chain G residue 13 LYS Chi-restraints excluded: chain G residue 19 PHE Chi-restraints excluded: chain G residue 25 ASP Chi-restraints excluded: chain G residue 26 ASN Chi-restraints excluded: chain G residue 32 VAL Chi-restraints excluded: chain G residue 34 ASP Chi-restraints excluded: chain G residue 35 MET Chi-restraints excluded: chain G residue 38 SER Chi-restraints excluded: chain G residue 39 ILE Chi-restraints excluded: chain G residue 41 SER Chi-restraints excluded: chain G residue 44 GLU Chi-restraints excluded: chain G residue 50 MET Chi-restraints excluded: chain G residue 51 SER Chi-restraints excluded: chain G residue 58 THR Chi-restraints excluded: chain G residue 66 LEU Chi-restraints excluded: chain G residue 72 MET Chi-restraints excluded: chain G residue 77 VAL Chi-restraints excluded: chain G residue 80 VAL Chi-restraints excluded: chain G residue 81 LEU Chi-restraints excluded: chain G residue 82 ARG Chi-restraints excluded: chain G residue 83 ILE Chi-restraints excluded: chain G residue 85 TYR Chi-restraints excluded: chain G residue 92 ILE Chi-restraints excluded: chain G residue 94 THR Chi-restraints excluded: chain G residue 97 ARG Chi-restraints excluded: chain G residue 107 ILE Chi-restraints excluded: chain G residue 110 ARG Chi-restraints excluded: chain G residue 127 ARG Chi-restraints excluded: chain G residue 131 TYR Chi-restraints excluded: chain G residue 139 LEU Chi-restraints excluded: chain G residue 141 LEU Chi-restraints excluded: chain G residue 153 LEU Chi-restraints excluded: chain G residue 157 LYS Chi-restraints excluded: chain G residue 158 THR Chi-restraints excluded: chain G residue 160 VAL Chi-restraints excluded: chain G residue 171 GLN Chi-restraints excluded: chain G residue 177 LYS Chi-restraints excluded: chain G residue 188 SER Chi-restraints excluded: chain G residue 191 THR Chi-restraints excluded: chain G residue 199 LEU Chi-restraints excluded: chain G residue 204 ASP Chi-restraints excluded: chain G residue 208 THR Chi-restraints excluded: chain G residue 219 LEU Chi-restraints excluded: chain G residue 221 ILE Chi-restraints excluded: chain G residue 225 GLN Chi-restraints excluded: chain G residue 234 SER Chi-restraints excluded: chain G residue 239 ASN Chi-restraints excluded: chain G residue 241 LEU Chi-restraints excluded: chain G residue 243 VAL Chi-restraints excluded: chain G residue 246 ASN Chi-restraints excluded: chain G residue 249 ASN Chi-restraints excluded: chain G residue 258 LEU Chi-restraints excluded: chain G residue 262 ILE Chi-restraints excluded: chain G residue 264 LEU Chi-restraints excluded: chain G residue 266 THR Chi-restraints excluded: chain G residue 273 ASP Chi-restraints excluded: chain G residue 279 THR Chi-restraints excluded: chain G residue 280 THR Chi-restraints excluded: chain G residue 281 THR Chi-restraints excluded: chain G residue 284 SER Chi-restraints excluded: chain G residue 285 LEU Chi-restraints excluded: chain G residue 288 HIS Chi-restraints excluded: chain G residue 292 LEU Chi-restraints excluded: chain G residue 293 THR Chi-restraints excluded: chain G residue 305 LEU Chi-restraints excluded: chain G residue 319 THR Chi-restraints excluded: chain G residue 321 PRO Chi-restraints excluded: chain G residue 323 ARG Chi-restraints excluded: chain G residue 324 LEU Chi-restraints excluded: chain G residue 325 SER Chi-restraints excluded: chain G residue 326 ILE Chi-restraints excluded: chain G residue 330 SER Chi-restraints excluded: chain G residue 331 ILE Chi-restraints excluded: chain G residue 333 ASP Chi-restraints excluded: chain G residue 339 ASP Chi-restraints excluded: chain G residue 342 LYS Chi-restraints excluded: chain G residue 351 THR Chi-restraints excluded: chain G residue 352 ILE Chi-restraints excluded: chain G residue 353 ILE Chi-restraints excluded: chain G residue 359 VAL Chi-restraints excluded: chain G residue 367 LYS Chi-restraints excluded: chain G residue 370 ASP Chi-restraints excluded: chain G residue 371 ARG Chi-restraints excluded: chain G residue 373 SER Chi-restraints excluded: chain G residue 381 ILE Chi-restraints excluded: chain G residue 383 THR Chi-restraints excluded: chain G residue 384 ILE Chi-restraints excluded: chain G residue 385 LEU Chi-restraints excluded: chain G residue 389 ILE Chi-restraints excluded: chain G residue 397 ASP Chi-restraints excluded: chain G residue 406 HIS Chi-restraints excluded: chain G residue 408 TYR Chi-restraints excluded: chain G residue 413 LYS Chi-restraints excluded: chain G residue 425 ILE Chi-restraints excluded: chain G residue 431 VAL Chi-restraints excluded: chain G residue 443 ILE Chi-restraints excluded: chain G residue 447 TYR Chi-restraints excluded: chain G residue 452 THR Chi-restraints excluded: chain G residue 456 ASP Chi-restraints excluded: chain G residue 457 ASP Chi-restraints excluded: chain G residue 462 TYR Chi-restraints excluded: chain G residue 471 ILE Chi-restraints excluded: chain G residue 478 ILE Chi-restraints excluded: chain G residue 479 GLU Chi-restraints excluded: chain G residue 485 THR Chi-restraints excluded: chain G residue 487 PHE Chi-restraints excluded: chain G residue 494 PHE Chi-restraints excluded: chain G residue 497 LEU Chi-restraints excluded: chain G residue 501 ILE Chi-restraints excluded: chain G residue 516 ASN Chi-restraints excluded: chain G residue 524 TYR Chi-restraints excluded: chain G residue 528 ILE Chi-restraints excluded: chain G residue 533 PRO Chi-restraints excluded: chain G residue 534 LYS Chi-restraints excluded: chain G residue 536 GLU Chi-restraints excluded: chain G residue 538 LEU Chi-restraints excluded: chain G residue 539 VAL Chi-restraints excluded: chain G residue 544 ASP Chi-restraints excluded: chain G residue 549 ILE Chi-restraints excluded: chain G residue 560 ASP Chi-restraints excluded: chain G residue 570 ASP Chi-restraints excluded: chain G residue 580 GLN Chi-restraints excluded: chain G residue 582 GLN Chi-restraints excluded: chain H residue 12 TYR Chi-restraints excluded: chain H residue 13 LYS Chi-restraints excluded: chain H residue 19 PHE Chi-restraints excluded: chain H residue 25 ASP Chi-restraints excluded: chain H residue 33 GLN Chi-restraints excluded: chain H residue 34 ASP Chi-restraints excluded: chain H residue 38 SER Chi-restraints excluded: chain H residue 39 ILE Chi-restraints excluded: chain H residue 40 LEU Chi-restraints excluded: chain H residue 41 SER Chi-restraints excluded: chain H residue 46 ASP Chi-restraints excluded: chain H residue 51 SER Chi-restraints excluded: chain H residue 58 THR Chi-restraints excluded: chain H residue 74 GLN Chi-restraints excluded: chain H residue 77 VAL Chi-restraints excluded: chain H residue 81 LEU Chi-restraints excluded: chain H residue 82 ARG Chi-restraints excluded: chain H residue 93 LYS Chi-restraints excluded: chain H residue 97 ARG Chi-restraints excluded: chain H residue 101 MET Chi-restraints excluded: chain H residue 103 THR Chi-restraints excluded: chain H residue 107 ILE Chi-restraints excluded: chain H residue 110 ARG Chi-restraints excluded: chain H residue 116 ASP Chi-restraints excluded: chain H residue 124 ASN Chi-restraints excluded: chain H residue 127 ARG Chi-restraints excluded: chain H residue 131 TYR Chi-restraints excluded: chain H residue 133 LYS Chi-restraints excluded: chain H residue 135 ARG Chi-restraints excluded: chain H residue 141 LEU Chi-restraints excluded: chain H residue 157 LYS Chi-restraints excluded: chain H residue 158 THR Chi-restraints excluded: chain H residue 160 VAL Chi-restraints excluded: chain H residue 162 LEU Chi-restraints excluded: chain H residue 164 VAL Chi-restraints excluded: chain H residue 166 LEU Chi-restraints excluded: chain H residue 173 LYS Chi-restraints excluded: chain H residue 177 LYS Chi-restraints excluded: chain H residue 179 PHE Chi-restraints excluded: chain H residue 199 LEU Chi-restraints excluded: chain H residue 203 ILE Chi-restraints excluded: chain H residue 204 ASP Chi-restraints excluded: chain H residue 208 THR Chi-restraints excluded: chain H residue 210 ARG Chi-restraints excluded: chain H residue 211 SER Chi-restraints excluded: chain H residue 217 ILE Chi-restraints excluded: chain H residue 218 LYS Chi-restraints excluded: chain H residue 219 LEU Chi-restraints excluded: chain H residue 221 ILE Chi-restraints excluded: chain H residue 234 SER Chi-restraints excluded: chain H residue 239 ASN Chi-restraints excluded: chain H residue 242 LEU Chi-restraints excluded: chain H residue 245 LEU Chi-restraints excluded: chain H residue 247 VAL Chi-restraints excluded: chain H residue 249 ASN Chi-restraints excluded: chain H residue 254 ASN Chi-restraints excluded: chain H residue 258 LEU Chi-restraints excluded: chain H residue 266 THR Chi-restraints excluded: chain H residue 267 ARG Chi-restraints excluded: chain H residue 271 VAL Chi-restraints excluded: chain H residue 273 ASP Chi-restraints excluded: chain H residue 280 THR Chi-restraints excluded: chain H residue 281 THR Chi-restraints excluded: chain H residue 284 SER Chi-restraints excluded: chain H residue 285 LEU Chi-restraints excluded: chain H residue 288 HIS Chi-restraints excluded: chain H residue 290 MET Chi-restraints excluded: chain H residue 292 LEU Chi-restraints excluded: chain H residue 293 THR Chi-restraints excluded: chain H residue 297 VAL Chi-restraints excluded: chain H residue 299 SER Chi-restraints excluded: chain H residue 305 LEU Chi-restraints excluded: chain H residue 306 ASP Chi-restraints excluded: chain H residue 307 CYS Chi-restraints excluded: chain H residue 319 THR Chi-restraints excluded: chain H residue 322 ARG Chi-restraints excluded: chain H residue 323 ARG Chi-restraints excluded: chain H residue 324 LEU Chi-restraints excluded: chain H residue 325 SER Chi-restraints excluded: chain H residue 330 SER Chi-restraints excluded: chain H residue 331 ILE Chi-restraints excluded: chain H residue 333 ASP Chi-restraints excluded: chain H residue 338 TRP Chi-restraints excluded: chain H residue 339 ASP Chi-restraints excluded: chain H residue 342 LYS Chi-restraints excluded: chain H residue 349 LEU Chi-restraints excluded: chain H residue 351 THR Chi-restraints excluded: chain H residue 352 ILE Chi-restraints excluded: chain H residue 353 ILE Chi-restraints excluded: chain H residue 359 VAL Chi-restraints excluded: chain H residue 365 TYR Chi-restraints excluded: chain H residue 370 ASP Chi-restraints excluded: chain H residue 373 SER Chi-restraints excluded: chain H residue 381 ILE Chi-restraints excluded: chain H residue 383 THR Chi-restraints excluded: chain H residue 384 ILE Chi-restraints excluded: chain H residue 385 LEU Chi-restraints excluded: chain H residue 397 ASP Chi-restraints excluded: chain H residue 398 VAL Chi-restraints excluded: chain H residue 400 VAL Chi-restraints excluded: chain H residue 406 HIS Chi-restraints excluded: chain H residue 407 LYS Chi-restraints excluded: chain H residue 408 TYR Chi-restraints excluded: chain H residue 413 LYS Chi-restraints excluded: chain H residue 419 THR Chi-restraints excluded: chain H residue 421 SER Chi-restraints excluded: chain H residue 425 ILE Chi-restraints excluded: chain H residue 431 VAL Chi-restraints excluded: chain H residue 443 ILE Chi-restraints excluded: chain H residue 447 TYR Chi-restraints excluded: chain H residue 456 ASP Chi-restraints excluded: chain H residue 457 ASP Chi-restraints excluded: chain H residue 462 TYR Chi-restraints excluded: chain H residue 463 LEU Chi-restraints excluded: chain H residue 471 ILE Chi-restraints excluded: chain H residue 478 ILE Chi-restraints excluded: chain H residue 479 GLU Chi-restraints excluded: chain H residue 480 HIS Chi-restraints excluded: chain H residue 490 VAL Chi-restraints excluded: chain H residue 497 LEU Chi-restraints excluded: chain H residue 501 ILE Chi-restraints excluded: chain H residue 528 ILE Chi-restraints excluded: chain H residue 533 PRO Chi-restraints excluded: chain H residue 536 GLU Chi-restraints excluded: chain H residue 539 VAL Chi-restraints excluded: chain H residue 544 ASP Chi-restraints excluded: chain H residue 549 ILE Chi-restraints excluded: chain H residue 564 ILE Chi-restraints excluded: chain H residue 570 ASP Chi-restraints excluded: chain H residue 576 GLU Chi-restraints excluded: chain I residue 11 GLN Chi-restraints excluded: chain I residue 12 TYR Chi-restraints excluded: chain I residue 13 LYS Chi-restraints excluded: chain I residue 19 PHE Chi-restraints excluded: chain I residue 24 VAL Chi-restraints excluded: chain I residue 25 ASP Chi-restraints excluded: chain I residue 26 ASN Chi-restraints excluded: chain I residue 32 VAL Chi-restraints excluded: chain I residue 34 ASP Chi-restraints excluded: chain I residue 35 MET Chi-restraints excluded: chain I residue 38 SER Chi-restraints excluded: chain I residue 39 ILE Chi-restraints excluded: chain I residue 41 SER Chi-restraints excluded: chain I residue 44 GLU Chi-restraints excluded: chain I residue 50 MET Chi-restraints excluded: chain I residue 51 SER Chi-restraints excluded: chain I residue 58 THR Chi-restraints excluded: chain I residue 66 LEU Chi-restraints excluded: chain I residue 77 VAL Chi-restraints excluded: chain I residue 80 VAL Chi-restraints excluded: chain I residue 81 LEU Chi-restraints excluded: chain I residue 82 ARG Chi-restraints excluded: chain I residue 83 ILE Chi-restraints excluded: chain I residue 85 TYR Chi-restraints excluded: chain I residue 92 ILE Chi-restraints excluded: chain I residue 94 THR Chi-restraints excluded: chain I residue 97 ARG Chi-restraints excluded: chain I residue 107 ILE Chi-restraints excluded: chain I residue 110 ARG Chi-restraints excluded: chain I residue 127 ARG Chi-restraints excluded: chain I residue 131 TYR Chi-restraints excluded: chain I residue 139 LEU Chi-restraints excluded: chain I residue 141 LEU Chi-restraints excluded: chain I residue 150 ASP Chi-restraints excluded: chain I residue 153 LEU Chi-restraints excluded: chain I residue 157 LYS Chi-restraints excluded: chain I residue 158 THR Chi-restraints excluded: chain I residue 160 VAL Chi-restraints excluded: chain I residue 188 SER Chi-restraints excluded: chain I residue 191 THR Chi-restraints excluded: chain I residue 199 LEU Chi-restraints excluded: chain I residue 204 ASP Chi-restraints excluded: chain I residue 208 THR Chi-restraints excluded: chain I residue 219 LEU Chi-restraints excluded: chain I residue 221 ILE Chi-restraints excluded: chain I residue 225 GLN Chi-restraints excluded: chain I residue 234 SER Chi-restraints excluded: chain I residue 239 ASN Chi-restraints excluded: chain I residue 241 LEU Chi-restraints excluded: chain I residue 246 ASN Chi-restraints excluded: chain I residue 249 ASN Chi-restraints excluded: chain I residue 258 LEU Chi-restraints excluded: chain I residue 262 ILE Chi-restraints excluded: chain I residue 266 THR Chi-restraints excluded: chain I residue 273 ASP Chi-restraints excluded: chain I residue 279 THR Chi-restraints excluded: chain I residue 280 THR Chi-restraints excluded: chain I residue 281 THR Chi-restraints excluded: chain I residue 284 SER Chi-restraints excluded: chain I residue 285 LEU Chi-restraints excluded: chain I residue 288 HIS Chi-restraints excluded: chain I residue 292 LEU Chi-restraints excluded: chain I residue 293 THR Chi-restraints excluded: chain I residue 305 LEU Chi-restraints excluded: chain I residue 319 THR Chi-restraints excluded: chain I residue 321 PRO Chi-restraints excluded: chain I residue 324 LEU Chi-restraints excluded: chain I residue 325 SER Chi-restraints excluded: chain I residue 326 ILE Chi-restraints excluded: chain I residue 330 SER Chi-restraints excluded: chain I residue 331 ILE Chi-restraints excluded: chain I residue 333 ASP Chi-restraints excluded: chain I residue 339 ASP Chi-restraints excluded: chain I residue 342 LYS Chi-restraints excluded: chain I residue 349 LEU Chi-restraints excluded: chain I residue 351 THR Chi-restraints excluded: chain I residue 352 ILE Chi-restraints excluded: chain I residue 353 ILE Chi-restraints excluded: chain I residue 355 SER Chi-restraints excluded: chain I residue 359 VAL Chi-restraints excluded: chain I residue 367 LYS Chi-restraints excluded: chain I residue 370 ASP Chi-restraints excluded: chain I residue 371 ARG Chi-restraints excluded: chain I residue 373 SER Chi-restraints excluded: chain I residue 381 ILE Chi-restraints excluded: chain I residue 383 THR Chi-restraints excluded: chain I residue 384 ILE Chi-restraints excluded: chain I residue 385 LEU Chi-restraints excluded: chain I residue 389 ILE Chi-restraints excluded: chain I residue 397 ASP Chi-restraints excluded: chain I residue 406 HIS Chi-restraints excluded: chain I residue 408 TYR Chi-restraints excluded: chain I residue 413 LYS Chi-restraints excluded: chain I residue 425 ILE Chi-restraints excluded: chain I residue 431 VAL Chi-restraints excluded: chain I residue 443 ILE Chi-restraints excluded: chain I residue 447 TYR Chi-restraints excluded: chain I residue 452 THR Chi-restraints excluded: chain I residue 456 ASP Chi-restraints excluded: chain I residue 457 ASP Chi-restraints excluded: chain I residue 462 TYR Chi-restraints excluded: chain I residue 471 ILE Chi-restraints excluded: chain I residue 478 ILE Chi-restraints excluded: chain I residue 479 GLU Chi-restraints excluded: chain I residue 485 THR Chi-restraints excluded: chain I residue 487 PHE Chi-restraints excluded: chain I residue 494 PHE Chi-restraints excluded: chain I residue 497 LEU Chi-restraints excluded: chain I residue 501 ILE Chi-restraints excluded: chain I residue 516 ASN Chi-restraints excluded: chain I residue 524 TYR Chi-restraints excluded: chain I residue 528 ILE Chi-restraints excluded: chain I residue 533 PRO Chi-restraints excluded: chain I residue 534 LYS Chi-restraints excluded: chain I residue 536 GLU Chi-restraints excluded: chain I residue 539 VAL Chi-restraints excluded: chain I residue 544 ASP Chi-restraints excluded: chain I residue 549 ILE Chi-restraints excluded: chain I residue 560 ASP Chi-restraints excluded: chain I residue 570 ASP Chi-restraints excluded: chain I residue 580 GLN Chi-restraints excluded: chain I residue 582 GLN Chi-restraints excluded: chain J residue 12 TYR Chi-restraints excluded: chain J residue 13 LYS Chi-restraints excluded: chain J residue 19 PHE Chi-restraints excluded: chain J residue 25 ASP Chi-restraints excluded: chain J residue 33 GLN Chi-restraints excluded: chain J residue 34 ASP Chi-restraints excluded: chain J residue 38 SER Chi-restraints excluded: chain J residue 39 ILE Chi-restraints excluded: chain J residue 40 LEU Chi-restraints excluded: chain J residue 41 SER Chi-restraints excluded: chain J residue 46 ASP Chi-restraints excluded: chain J residue 51 SER Chi-restraints excluded: chain J residue 58 THR Chi-restraints excluded: chain J residue 77 VAL Chi-restraints excluded: chain J residue 81 LEU Chi-restraints excluded: chain J residue 82 ARG Chi-restraints excluded: chain J residue 86 LYS Chi-restraints excluded: chain J residue 93 LYS Chi-restraints excluded: chain J residue 97 ARG Chi-restraints excluded: chain J residue 101 MET Chi-restraints excluded: chain J residue 103 THR Chi-restraints excluded: chain J residue 107 ILE Chi-restraints excluded: chain J residue 110 ARG Chi-restraints excluded: chain J residue 116 ASP Chi-restraints excluded: chain J residue 127 ARG Chi-restraints excluded: chain J residue 131 TYR Chi-restraints excluded: chain J residue 133 LYS Chi-restraints excluded: chain J residue 135 ARG Chi-restraints excluded: chain J residue 141 LEU Chi-restraints excluded: chain J residue 157 LYS Chi-restraints excluded: chain J residue 158 THR Chi-restraints excluded: chain J residue 160 VAL Chi-restraints excluded: chain J residue 162 LEU Chi-restraints excluded: chain J residue 164 VAL Chi-restraints excluded: chain J residue 166 LEU Chi-restraints excluded: chain J residue 173 LYS Chi-restraints excluded: chain J residue 177 LYS Chi-restraints excluded: chain J residue 179 PHE Chi-restraints excluded: chain J residue 199 LEU Chi-restraints excluded: chain J residue 203 ILE Chi-restraints excluded: chain J residue 204 ASP Chi-restraints excluded: chain J residue 208 THR Chi-restraints excluded: chain J residue 210 ARG Chi-restraints excluded: chain J residue 211 SER Chi-restraints excluded: chain J residue 217 ILE Chi-restraints excluded: chain J residue 218 LYS Chi-restraints excluded: chain J residue 219 LEU Chi-restraints excluded: chain J residue 221 ILE Chi-restraints excluded: chain J residue 234 SER Chi-restraints excluded: chain J residue 239 ASN Chi-restraints excluded: chain J residue 242 LEU Chi-restraints excluded: chain J residue 247 VAL Chi-restraints excluded: chain J residue 249 ASN Chi-restraints excluded: chain J residue 254 ASN Chi-restraints excluded: chain J residue 258 LEU Chi-restraints excluded: chain J residue 266 THR Chi-restraints excluded: chain J residue 267 ARG Chi-restraints excluded: chain J residue 271 VAL Chi-restraints excluded: chain J residue 273 ASP Chi-restraints excluded: chain J residue 280 THR Chi-restraints excluded: chain J residue 281 THR Chi-restraints excluded: chain J residue 284 SER Chi-restraints excluded: chain J residue 288 HIS Chi-restraints excluded: chain J residue 290 MET Chi-restraints excluded: chain J residue 292 LEU Chi-restraints excluded: chain J residue 293 THR Chi-restraints excluded: chain J residue 297 VAL Chi-restraints excluded: chain J residue 299 SER Chi-restraints excluded: chain J residue 305 LEU Chi-restraints excluded: chain J residue 306 ASP Chi-restraints excluded: chain J residue 307 CYS Chi-restraints excluded: chain J residue 319 THR Chi-restraints excluded: chain J residue 322 ARG Chi-restraints excluded: chain J residue 323 ARG Chi-restraints excluded: chain J residue 324 LEU Chi-restraints excluded: chain J residue 330 SER Chi-restraints excluded: chain J residue 331 ILE Chi-restraints excluded: chain J residue 333 ASP Chi-restraints excluded: chain J residue 338 TRP Chi-restraints excluded: chain J residue 339 ASP Chi-restraints excluded: chain J residue 342 LYS Chi-restraints excluded: chain J residue 349 LEU Chi-restraints excluded: chain J residue 351 THR Chi-restraints excluded: chain J residue 352 ILE Chi-restraints excluded: chain J residue 353 ILE Chi-restraints excluded: chain J residue 359 VAL Chi-restraints excluded: chain J residue 365 TYR Chi-restraints excluded: chain J residue 370 ASP Chi-restraints excluded: chain J residue 373 SER Chi-restraints excluded: chain J residue 381 ILE Chi-restraints excluded: chain J residue 383 THR Chi-restraints excluded: chain J residue 384 ILE Chi-restraints excluded: chain J residue 385 LEU Chi-restraints excluded: chain J residue 397 ASP Chi-restraints excluded: chain J residue 398 VAL Chi-restraints excluded: chain J residue 400 VAL Chi-restraints excluded: chain J residue 406 HIS Chi-restraints excluded: chain J residue 407 LYS Chi-restraints excluded: chain J residue 408 TYR Chi-restraints excluded: chain J residue 413 LYS Chi-restraints excluded: chain J residue 419 THR Chi-restraints excluded: chain J residue 421 SER Chi-restraints excluded: chain J residue 425 ILE Chi-restraints excluded: chain J residue 431 VAL Chi-restraints excluded: chain J residue 443 ILE Chi-restraints excluded: chain J residue 447 TYR Chi-restraints excluded: chain J residue 456 ASP Chi-restraints excluded: chain J residue 457 ASP Chi-restraints excluded: chain J residue 462 TYR Chi-restraints excluded: chain J residue 463 LEU Chi-restraints excluded: chain J residue 471 ILE Chi-restraints excluded: chain J residue 478 ILE Chi-restraints excluded: chain J residue 479 GLU Chi-restraints excluded: chain J residue 480 HIS Chi-restraints excluded: chain J residue 490 VAL Chi-restraints excluded: chain J residue 497 LEU Chi-restraints excluded: chain J residue 501 ILE Chi-restraints excluded: chain J residue 522 LYS Chi-restraints excluded: chain J residue 528 ILE Chi-restraints excluded: chain J residue 533 PRO Chi-restraints excluded: chain J residue 536 GLU Chi-restraints excluded: chain J residue 539 VAL Chi-restraints excluded: chain J residue 544 ASP Chi-restraints excluded: chain J residue 549 ILE Chi-restraints excluded: chain J residue 564 ILE Chi-restraints excluded: chain J residue 570 ASP Chi-restraints excluded: chain J residue 576 GLU Chi-restraints excluded: chain K residue 11 GLN Chi-restraints excluded: chain K residue 12 TYR Chi-restraints excluded: chain K residue 13 LYS Chi-restraints excluded: chain K residue 19 PHE Chi-restraints excluded: chain K residue 25 ASP Chi-restraints excluded: chain K residue 26 ASN Chi-restraints excluded: chain K residue 32 VAL Chi-restraints excluded: chain K residue 34 ASP Chi-restraints excluded: chain K residue 35 MET Chi-restraints excluded: chain K residue 38 SER Chi-restraints excluded: chain K residue 39 ILE Chi-restraints excluded: chain K residue 41 SER Chi-restraints excluded: chain K residue 44 GLU Chi-restraints excluded: chain K residue 50 MET Chi-restraints excluded: chain K residue 51 SER Chi-restraints excluded: chain K residue 58 THR Chi-restraints excluded: chain K residue 66 LEU Chi-restraints excluded: chain K residue 77 VAL Chi-restraints excluded: chain K residue 80 VAL Chi-restraints excluded: chain K residue 81 LEU Chi-restraints excluded: chain K residue 82 ARG Chi-restraints excluded: chain K residue 83 ILE Chi-restraints excluded: chain K residue 85 TYR Chi-restraints excluded: chain K residue 87 PHE Chi-restraints excluded: chain K residue 92 ILE Chi-restraints excluded: chain K residue 94 THR Chi-restraints excluded: chain K residue 97 ARG Chi-restraints excluded: chain K residue 107 ILE Chi-restraints excluded: chain K residue 110 ARG Chi-restraints excluded: chain K residue 127 ARG Chi-restraints excluded: chain K residue 131 TYR Chi-restraints excluded: chain K residue 139 LEU Chi-restraints excluded: chain K residue 141 LEU Chi-restraints excluded: chain K residue 150 ASP Chi-restraints excluded: chain K residue 153 LEU Chi-restraints excluded: chain K residue 157 LYS Chi-restraints excluded: chain K residue 158 THR Chi-restraints excluded: chain K residue 188 SER Chi-restraints excluded: chain K residue 191 THR Chi-restraints excluded: chain K residue 192 VAL Chi-restraints excluded: chain K residue 199 LEU Chi-restraints excluded: chain K residue 204 ASP Chi-restraints excluded: chain K residue 208 THR Chi-restraints excluded: chain K residue 219 LEU Chi-restraints excluded: chain K residue 221 ILE Chi-restraints excluded: chain K residue 225 GLN Chi-restraints excluded: chain K residue 234 SER Chi-restraints excluded: chain K residue 239 ASN Chi-restraints excluded: chain K residue 241 LEU Chi-restraints excluded: chain K residue 243 VAL Chi-restraints excluded: chain K residue 246 ASN Chi-restraints excluded: chain K residue 249 ASN Chi-restraints excluded: chain K residue 258 LEU Chi-restraints excluded: chain K residue 262 ILE Chi-restraints excluded: chain K residue 264 LEU Chi-restraints excluded: chain K residue 266 THR Chi-restraints excluded: chain K residue 273 ASP Chi-restraints excluded: chain K residue 279 THR Chi-restraints excluded: chain K residue 280 THR Chi-restraints excluded: chain K residue 281 THR Chi-restraints excluded: chain K residue 284 SER Chi-restraints excluded: chain K residue 285 LEU Chi-restraints excluded: chain K residue 288 HIS Chi-restraints excluded: chain K residue 292 LEU Chi-restraints excluded: chain K residue 293 THR Chi-restraints excluded: chain K residue 305 LEU Chi-restraints excluded: chain K residue 319 THR Chi-restraints excluded: chain K residue 321 PRO Chi-restraints excluded: chain K residue 323 ARG Chi-restraints excluded: chain K residue 324 LEU Chi-restraints excluded: chain K residue 325 SER Chi-restraints excluded: chain K residue 326 ILE Chi-restraints excluded: chain K residue 330 SER Chi-restraints excluded: chain K residue 331 ILE Chi-restraints excluded: chain K residue 333 ASP Chi-restraints excluded: chain K residue 339 ASP Chi-restraints excluded: chain K residue 342 LYS Chi-restraints excluded: chain K residue 351 THR Chi-restraints excluded: chain K residue 352 ILE Chi-restraints excluded: chain K residue 353 ILE Chi-restraints excluded: chain K residue 359 VAL Chi-restraints excluded: chain K residue 367 LYS Chi-restraints excluded: chain K residue 370 ASP Chi-restraints excluded: chain K residue 371 ARG Chi-restraints excluded: chain K residue 373 SER Chi-restraints excluded: chain K residue 381 ILE Chi-restraints excluded: chain K residue 383 THR Chi-restraints excluded: chain K residue 384 ILE Chi-restraints excluded: chain K residue 385 LEU Chi-restraints excluded: chain K residue 389 ILE Chi-restraints excluded: chain K residue 397 ASP Chi-restraints excluded: chain K residue 406 HIS Chi-restraints excluded: chain K residue 408 TYR Chi-restraints excluded: chain K residue 413 LYS Chi-restraints excluded: chain K residue 425 ILE Chi-restraints excluded: chain K residue 431 VAL Chi-restraints excluded: chain K residue 443 ILE Chi-restraints excluded: chain K residue 447 TYR Chi-restraints excluded: chain K residue 452 THR Chi-restraints excluded: chain K residue 456 ASP Chi-restraints excluded: chain K residue 457 ASP Chi-restraints excluded: chain K residue 462 TYR Chi-restraints excluded: chain K residue 471 ILE Chi-restraints excluded: chain K residue 478 ILE Chi-restraints excluded: chain K residue 479 GLU Chi-restraints excluded: chain K residue 485 THR Chi-restraints excluded: chain K residue 487 PHE Chi-restraints excluded: chain K residue 494 PHE Chi-restraints excluded: chain K residue 497 LEU Chi-restraints excluded: chain K residue 501 ILE Chi-restraints excluded: chain K residue 516 ASN Chi-restraints excluded: chain K residue 524 TYR Chi-restraints excluded: chain K residue 528 ILE Chi-restraints excluded: chain K residue 533 PRO Chi-restraints excluded: chain K residue 534 LYS Chi-restraints excluded: chain K residue 536 GLU Chi-restraints excluded: chain K residue 538 LEU Chi-restraints excluded: chain K residue 539 VAL Chi-restraints excluded: chain K residue 544 ASP Chi-restraints excluded: chain K residue 549 ILE Chi-restraints excluded: chain K residue 560 ASP Chi-restraints excluded: chain K residue 570 ASP Chi-restraints excluded: chain K residue 580 GLN Chi-restraints excluded: chain K residue 582 GLN Chi-restraints excluded: chain L residue 12 TYR Chi-restraints excluded: chain L residue 13 LYS Chi-restraints excluded: chain L residue 19 PHE Chi-restraints excluded: chain L residue 25 ASP Chi-restraints excluded: chain L residue 33 GLN Chi-restraints excluded: chain L residue 34 ASP Chi-restraints excluded: chain L residue 38 SER Chi-restraints excluded: chain L residue 39 ILE Chi-restraints excluded: chain L residue 40 LEU Chi-restraints excluded: chain L residue 41 SER Chi-restraints excluded: chain L residue 46 ASP Chi-restraints excluded: chain L residue 51 SER Chi-restraints excluded: chain L residue 58 THR Chi-restraints excluded: chain L residue 77 VAL Chi-restraints excluded: chain L residue 81 LEU Chi-restraints excluded: chain L residue 82 ARG Chi-restraints excluded: chain L residue 86 LYS Chi-restraints excluded: chain L residue 87 PHE Chi-restraints excluded: chain L residue 93 LYS Chi-restraints excluded: chain L residue 97 ARG Chi-restraints excluded: chain L residue 101 MET Chi-restraints excluded: chain L residue 107 ILE Chi-restraints excluded: chain L residue 110 ARG Chi-restraints excluded: chain L residue 131 TYR Chi-restraints excluded: chain L residue 133 LYS Chi-restraints excluded: chain L residue 135 ARG Chi-restraints excluded: chain L residue 141 LEU Chi-restraints excluded: chain L residue 157 LYS Chi-restraints excluded: chain L residue 158 THR Chi-restraints excluded: chain L residue 160 VAL Chi-restraints excluded: chain L residue 162 LEU Chi-restraints excluded: chain L residue 164 VAL Chi-restraints excluded: chain L residue 166 LEU Chi-restraints excluded: chain L residue 173 LYS Chi-restraints excluded: chain L residue 179 PHE Chi-restraints excluded: chain L residue 199 LEU Chi-restraints excluded: chain L residue 203 ILE Chi-restraints excluded: chain L residue 204 ASP Chi-restraints excluded: chain L residue 208 THR Chi-restraints excluded: chain L residue 210 ARG Chi-restraints excluded: chain L residue 211 SER Chi-restraints excluded: chain L residue 217 ILE Chi-restraints excluded: chain L residue 218 LYS Chi-restraints excluded: chain L residue 219 LEU Chi-restraints excluded: chain L residue 221 ILE Chi-restraints excluded: chain L residue 234 SER Chi-restraints excluded: chain L residue 239 ASN Chi-restraints excluded: chain L residue 242 LEU Chi-restraints excluded: chain L residue 245 LEU Chi-restraints excluded: chain L residue 247 VAL Chi-restraints excluded: chain L residue 249 ASN Chi-restraints excluded: chain L residue 254 ASN Chi-restraints excluded: chain L residue 258 LEU Chi-restraints excluded: chain L residue 266 THR Chi-restraints excluded: chain L residue 267 ARG Chi-restraints excluded: chain L residue 271 VAL Chi-restraints excluded: chain L residue 273 ASP Chi-restraints excluded: chain L residue 280 THR Chi-restraints excluded: chain L residue 281 THR Chi-restraints excluded: chain L residue 288 HIS Chi-restraints excluded: chain L residue 290 MET Chi-restraints excluded: chain L residue 292 LEU Chi-restraints excluded: chain L residue 293 THR Chi-restraints excluded: chain L residue 297 VAL Chi-restraints excluded: chain L residue 299 SER Chi-restraints excluded: chain L residue 305 LEU Chi-restraints excluded: chain L residue 306 ASP Chi-restraints excluded: chain L residue 307 CYS Chi-restraints excluded: chain L residue 319 THR Chi-restraints excluded: chain L residue 322 ARG Chi-restraints excluded: chain L residue 323 ARG Chi-restraints excluded: chain L residue 324 LEU Chi-restraints excluded: chain L residue 330 SER Chi-restraints excluded: chain L residue 331 ILE Chi-restraints excluded: chain L residue 333 ASP Chi-restraints excluded: chain L residue 338 TRP Chi-restraints excluded: chain L residue 339 ASP Chi-restraints excluded: chain L residue 342 LYS Chi-restraints excluded: chain L residue 349 LEU Chi-restraints excluded: chain L residue 351 THR Chi-restraints excluded: chain L residue 352 ILE Chi-restraints excluded: chain L residue 353 ILE Chi-restraints excluded: chain L residue 359 VAL Chi-restraints excluded: chain L residue 365 TYR Chi-restraints excluded: chain L residue 370 ASP Chi-restraints excluded: chain L residue 373 SER Chi-restraints excluded: chain L residue 381 ILE Chi-restraints excluded: chain L residue 383 THR Chi-restraints excluded: chain L residue 384 ILE Chi-restraints excluded: chain L residue 385 LEU Chi-restraints excluded: chain L residue 397 ASP Chi-restraints excluded: chain L residue 398 VAL Chi-restraints excluded: chain L residue 400 VAL Chi-restraints excluded: chain L residue 406 HIS Chi-restraints excluded: chain L residue 407 LYS Chi-restraints excluded: chain L residue 408 TYR Chi-restraints excluded: chain L residue 413 LYS Chi-restraints excluded: chain L residue 419 THR Chi-restraints excluded: chain L residue 421 SER Chi-restraints excluded: chain L residue 425 ILE Chi-restraints excluded: chain L residue 431 VAL Chi-restraints excluded: chain L residue 443 ILE Chi-restraints excluded: chain L residue 447 TYR Chi-restraints excluded: chain L residue 456 ASP Chi-restraints excluded: chain L residue 457 ASP Chi-restraints excluded: chain L residue 462 TYR Chi-restraints excluded: chain L residue 463 LEU Chi-restraints excluded: chain L residue 471 ILE Chi-restraints excluded: chain L residue 478 ILE Chi-restraints excluded: chain L residue 479 GLU Chi-restraints excluded: chain L residue 480 HIS Chi-restraints excluded: chain L residue 490 VAL Chi-restraints excluded: chain L residue 497 LEU Chi-restraints excluded: chain L residue 501 ILE Chi-restraints excluded: chain L residue 528 ILE Chi-restraints excluded: chain L residue 533 PRO Chi-restraints excluded: chain L residue 536 GLU Chi-restraints excluded: chain L residue 539 VAL Chi-restraints excluded: chain L residue 544 ASP Chi-restraints excluded: chain L residue 549 ILE Chi-restraints excluded: chain L residue 564 ILE Chi-restraints excluded: chain L residue 570 ASP Chi-restraints excluded: chain L residue 576 GLU Chi-restraints excluded: chain M residue 11 GLN Chi-restraints excluded: chain M residue 12 TYR Chi-restraints excluded: chain M residue 13 LYS Chi-restraints excluded: chain M residue 19 PHE Chi-restraints excluded: chain M residue 25 ASP Chi-restraints excluded: chain M residue 26 ASN Chi-restraints excluded: chain M residue 32 VAL Chi-restraints excluded: chain M residue 34 ASP Chi-restraints excluded: chain M residue 35 MET Chi-restraints excluded: chain M residue 38 SER Chi-restraints excluded: chain M residue 39 ILE Chi-restraints excluded: chain M residue 41 SER Chi-restraints excluded: chain M residue 44 GLU Chi-restraints excluded: chain M residue 50 MET Chi-restraints excluded: chain M residue 51 SER Chi-restraints excluded: chain M residue 58 THR Chi-restraints excluded: chain M residue 66 LEU Chi-restraints excluded: chain M residue 77 VAL Chi-restraints excluded: chain M residue 80 VAL Chi-restraints excluded: chain M residue 81 LEU Chi-restraints excluded: chain M residue 82 ARG Chi-restraints excluded: chain M residue 83 ILE Chi-restraints excluded: chain M residue 85 TYR Chi-restraints excluded: chain M residue 87 PHE Chi-restraints excluded: chain M residue 92 ILE Chi-restraints excluded: chain M residue 94 THR Chi-restraints excluded: chain M residue 97 ARG Chi-restraints excluded: chain M residue 107 ILE Chi-restraints excluded: chain M residue 110 ARG Chi-restraints excluded: chain M residue 131 TYR Chi-restraints excluded: chain M residue 139 LEU Chi-restraints excluded: chain M residue 141 LEU Chi-restraints excluded: chain M residue 150 ASP Chi-restraints excluded: chain M residue 153 LEU Chi-restraints excluded: chain M residue 157 LYS Chi-restraints excluded: chain M residue 158 THR Chi-restraints excluded: chain M residue 160 VAL Chi-restraints excluded: chain M residue 188 SER Chi-restraints excluded: chain M residue 191 THR Chi-restraints excluded: chain M residue 199 LEU Chi-restraints excluded: chain M residue 204 ASP Chi-restraints excluded: chain M residue 208 THR Chi-restraints excluded: chain M residue 219 LEU Chi-restraints excluded: chain M residue 221 ILE Chi-restraints excluded: chain M residue 225 GLN Chi-restraints excluded: chain M residue 234 SER Chi-restraints excluded: chain M residue 239 ASN Chi-restraints excluded: chain M residue 241 LEU Chi-restraints excluded: chain M residue 246 ASN Chi-restraints excluded: chain M residue 249 ASN Chi-restraints excluded: chain M residue 258 LEU Chi-restraints excluded: chain M residue 262 ILE Chi-restraints excluded: chain M residue 266 THR Chi-restraints excluded: chain M residue 273 ASP Chi-restraints excluded: chain M residue 275 LEU Chi-restraints excluded: chain M residue 279 THR Chi-restraints excluded: chain M residue 280 THR Chi-restraints excluded: chain M residue 281 THR Chi-restraints excluded: chain M residue 284 SER Chi-restraints excluded: chain M residue 285 LEU Chi-restraints excluded: chain M residue 288 HIS Chi-restraints excluded: chain M residue 292 LEU Chi-restraints excluded: chain M residue 293 THR Chi-restraints excluded: chain M residue 305 LEU Chi-restraints excluded: chain M residue 319 THR Chi-restraints excluded: chain M residue 321 PRO Chi-restraints excluded: chain M residue 323 ARG Chi-restraints excluded: chain M residue 324 LEU Chi-restraints excluded: chain M residue 325 SER Chi-restraints excluded: chain M residue 326 ILE Chi-restraints excluded: chain M residue 330 SER Chi-restraints excluded: chain M residue 331 ILE Chi-restraints excluded: chain M residue 333 ASP Chi-restraints excluded: chain M residue 339 ASP Chi-restraints excluded: chain M residue 342 LYS Chi-restraints excluded: chain M residue 349 LEU Chi-restraints excluded: chain M residue 351 THR Chi-restraints excluded: chain M residue 352 ILE Chi-restraints excluded: chain M residue 353 ILE Chi-restraints excluded: chain M residue 355 SER Chi-restraints excluded: chain M residue 359 VAL Chi-restraints excluded: chain M residue 367 LYS Chi-restraints excluded: chain M residue 370 ASP Chi-restraints excluded: chain M residue 371 ARG Chi-restraints excluded: chain M residue 373 SER Chi-restraints excluded: chain M residue 381 ILE Chi-restraints excluded: chain M residue 383 THR Chi-restraints excluded: chain M residue 384 ILE Chi-restraints excluded: chain M residue 385 LEU Chi-restraints excluded: chain M residue 389 ILE Chi-restraints excluded: chain M residue 397 ASP Chi-restraints excluded: chain M residue 406 HIS Chi-restraints excluded: chain M residue 408 TYR Chi-restraints excluded: chain M residue 413 LYS Chi-restraints excluded: chain M residue 425 ILE Chi-restraints excluded: chain M residue 431 VAL Chi-restraints excluded: chain M residue 443 ILE Chi-restraints excluded: chain M residue 447 TYR Chi-restraints excluded: chain M residue 452 THR Chi-restraints excluded: chain M residue 456 ASP Chi-restraints excluded: chain M residue 457 ASP Chi-restraints excluded: chain M residue 462 TYR Chi-restraints excluded: chain M residue 471 ILE Chi-restraints excluded: chain M residue 478 ILE Chi-restraints excluded: chain M residue 479 GLU Chi-restraints excluded: chain M residue 485 THR Chi-restraints excluded: chain M residue 487 PHE Chi-restraints excluded: chain M residue 494 PHE Chi-restraints excluded: chain M residue 497 LEU Chi-restraints excluded: chain M residue 501 ILE Chi-restraints excluded: chain M residue 516 ASN Chi-restraints excluded: chain M residue 524 TYR Chi-restraints excluded: chain M residue 528 ILE Chi-restraints excluded: chain M residue 533 PRO Chi-restraints excluded: chain M residue 534 LYS Chi-restraints excluded: chain M residue 536 GLU Chi-restraints excluded: chain M residue 538 LEU Chi-restraints excluded: chain M residue 539 VAL Chi-restraints excluded: chain M residue 544 ASP Chi-restraints excluded: chain M residue 549 ILE Chi-restraints excluded: chain M residue 560 ASP Chi-restraints excluded: chain M residue 570 ASP Chi-restraints excluded: chain M residue 580 GLN Chi-restraints excluded: chain M residue 582 GLN Chi-restraints excluded: chain N residue 12 TYR Chi-restraints excluded: chain N residue 13 LYS Chi-restraints excluded: chain N residue 19 PHE Chi-restraints excluded: chain N residue 25 ASP Chi-restraints excluded: chain N residue 33 GLN Chi-restraints excluded: chain N residue 34 ASP Chi-restraints excluded: chain N residue 38 SER Chi-restraints excluded: chain N residue 39 ILE Chi-restraints excluded: chain N residue 40 LEU Chi-restraints excluded: chain N residue 41 SER Chi-restraints excluded: chain N residue 46 ASP Chi-restraints excluded: chain N residue 51 SER Chi-restraints excluded: chain N residue 58 THR Chi-restraints excluded: chain N residue 76 PHE Chi-restraints excluded: chain N residue 77 VAL Chi-restraints excluded: chain N residue 82 ARG Chi-restraints excluded: chain N residue 86 LYS Chi-restraints excluded: chain N residue 87 PHE Chi-restraints excluded: chain N residue 93 LYS Chi-restraints excluded: chain N residue 97 ARG Chi-restraints excluded: chain N residue 101 MET Chi-restraints excluded: chain N residue 103 THR Chi-restraints excluded: chain N residue 107 ILE Chi-restraints excluded: chain N residue 110 ARG Chi-restraints excluded: chain N residue 116 ASP Chi-restraints excluded: chain N residue 127 ARG Chi-restraints excluded: chain N residue 131 TYR Chi-restraints excluded: chain N residue 133 LYS Chi-restraints excluded: chain N residue 135 ARG Chi-restraints excluded: chain N residue 141 LEU Chi-restraints excluded: chain N residue 157 LYS Chi-restraints excluded: chain N residue 158 THR Chi-restraints excluded: chain N residue 160 VAL Chi-restraints excluded: chain N residue 162 LEU Chi-restraints excluded: chain N residue 164 VAL Chi-restraints excluded: chain N residue 166 LEU Chi-restraints excluded: chain N residue 173 LYS Chi-restraints excluded: chain N residue 179 PHE Chi-restraints excluded: chain N residue 199 LEU Chi-restraints excluded: chain N residue 203 ILE Chi-restraints excluded: chain N residue 204 ASP Chi-restraints excluded: chain N residue 208 THR Chi-restraints excluded: chain N residue 210 ARG Chi-restraints excluded: chain N residue 211 SER Chi-restraints excluded: chain N residue 217 ILE Chi-restraints excluded: chain N residue 218 LYS Chi-restraints excluded: chain N residue 219 LEU Chi-restraints excluded: chain N residue 221 ILE Chi-restraints excluded: chain N residue 234 SER Chi-restraints excluded: chain N residue 239 ASN Chi-restraints excluded: chain N residue 242 LEU Chi-restraints excluded: chain N residue 247 VAL Chi-restraints excluded: chain N residue 249 ASN Chi-restraints excluded: chain N residue 254 ASN Chi-restraints excluded: chain N residue 258 LEU Chi-restraints excluded: chain N residue 266 THR Chi-restraints excluded: chain N residue 267 ARG Chi-restraints excluded: chain N residue 271 VAL Chi-restraints excluded: chain N residue 273 ASP Chi-restraints excluded: chain N residue 280 THR Chi-restraints excluded: chain N residue 281 THR Chi-restraints excluded: chain N residue 284 SER Chi-restraints excluded: chain N residue 288 HIS Chi-restraints excluded: chain N residue 290 MET Chi-restraints excluded: chain N residue 292 LEU Chi-restraints excluded: chain N residue 293 THR Chi-restraints excluded: chain N residue 297 VAL Chi-restraints excluded: chain N residue 299 SER Chi-restraints excluded: chain N residue 305 LEU Chi-restraints excluded: chain N residue 306 ASP Chi-restraints excluded: chain N residue 307 CYS Chi-restraints excluded: chain N residue 319 THR Chi-restraints excluded: chain N residue 322 ARG Chi-restraints excluded: chain N residue 323 ARG Chi-restraints excluded: chain N residue 324 LEU Chi-restraints excluded: chain N residue 330 SER Chi-restraints excluded: chain N residue 331 ILE Chi-restraints excluded: chain N residue 333 ASP Chi-restraints excluded: chain N residue 338 TRP Chi-restraints excluded: chain N residue 339 ASP Chi-restraints excluded: chain N residue 342 LYS Chi-restraints excluded: chain N residue 349 LEU Chi-restraints excluded: chain N residue 351 THR Chi-restraints excluded: chain N residue 352 ILE Chi-restraints excluded: chain N residue 353 ILE Chi-restraints excluded: chain N residue 359 VAL Chi-restraints excluded: chain N residue 365 TYR Chi-restraints excluded: chain N residue 370 ASP Chi-restraints excluded: chain N residue 373 SER Chi-restraints excluded: chain N residue 381 ILE Chi-restraints excluded: chain N residue 383 THR Chi-restraints excluded: chain N residue 384 ILE Chi-restraints excluded: chain N residue 385 LEU Chi-restraints excluded: chain N residue 397 ASP Chi-restraints excluded: chain N residue 398 VAL Chi-restraints excluded: chain N residue 400 VAL Chi-restraints excluded: chain N residue 406 HIS Chi-restraints excluded: chain N residue 407 LYS Chi-restraints excluded: chain N residue 408 TYR Chi-restraints excluded: chain N residue 413 LYS Chi-restraints excluded: chain N residue 419 THR Chi-restraints excluded: chain N residue 421 SER Chi-restraints excluded: chain N residue 425 ILE Chi-restraints excluded: chain N residue 431 VAL Chi-restraints excluded: chain N residue 443 ILE Chi-restraints excluded: chain N residue 447 TYR Chi-restraints excluded: chain N residue 456 ASP Chi-restraints excluded: chain N residue 457 ASP Chi-restraints excluded: chain N residue 462 TYR Chi-restraints excluded: chain N residue 463 LEU Chi-restraints excluded: chain N residue 471 ILE Chi-restraints excluded: chain N residue 478 ILE Chi-restraints excluded: chain N residue 479 GLU Chi-restraints excluded: chain N residue 480 HIS Chi-restraints excluded: chain N residue 490 VAL Chi-restraints excluded: chain N residue 497 LEU Chi-restraints excluded: chain N residue 501 ILE Chi-restraints excluded: chain N residue 528 ILE Chi-restraints excluded: chain N residue 533 PRO Chi-restraints excluded: chain N residue 536 GLU Chi-restraints excluded: chain N residue 539 VAL Chi-restraints excluded: chain N residue 544 ASP Chi-restraints excluded: chain N residue 549 ILE Chi-restraints excluded: chain N residue 564 ILE Chi-restraints excluded: chain N residue 570 ASP Chi-restraints excluded: chain N residue 576 GLU Chi-restraints excluded: chain O residue 11 GLN Chi-restraints excluded: chain O residue 12 TYR Chi-restraints excluded: chain O residue 13 LYS Chi-restraints excluded: chain O residue 19 PHE Chi-restraints excluded: chain O residue 25 ASP Chi-restraints excluded: chain O residue 26 ASN Chi-restraints excluded: chain O residue 32 VAL Chi-restraints excluded: chain O residue 34 ASP Chi-restraints excluded: chain O residue 35 MET Chi-restraints excluded: chain O residue 38 SER Chi-restraints excluded: chain O residue 39 ILE Chi-restraints excluded: chain O residue 41 SER Chi-restraints excluded: chain O residue 44 GLU Chi-restraints excluded: chain O residue 50 MET Chi-restraints excluded: chain O residue 51 SER Chi-restraints excluded: chain O residue 58 THR Chi-restraints excluded: chain O residue 66 LEU Chi-restraints excluded: chain O residue 77 VAL Chi-restraints excluded: chain O residue 80 VAL Chi-restraints excluded: chain O residue 81 LEU Chi-restraints excluded: chain O residue 82 ARG Chi-restraints excluded: chain O residue 83 ILE Chi-restraints excluded: chain O residue 85 TYR Chi-restraints excluded: chain O residue 87 PHE Chi-restraints excluded: chain O residue 92 ILE Chi-restraints excluded: chain O residue 94 THR Chi-restraints excluded: chain O residue 97 ARG Chi-restraints excluded: chain O residue 107 ILE Chi-restraints excluded: chain O residue 110 ARG Chi-restraints excluded: chain O residue 127 ARG Chi-restraints excluded: chain O residue 131 TYR Chi-restraints excluded: chain O residue 139 LEU Chi-restraints excluded: chain O residue 141 LEU Chi-restraints excluded: chain O residue 150 ASP Chi-restraints excluded: chain O residue 153 LEU Chi-restraints excluded: chain O residue 157 LYS Chi-restraints excluded: chain O residue 158 THR Chi-restraints excluded: chain O residue 160 VAL Chi-restraints excluded: chain O residue 171 GLN Chi-restraints excluded: chain O residue 188 SER Chi-restraints excluded: chain O residue 191 THR Chi-restraints excluded: chain O residue 199 LEU Chi-restraints excluded: chain O residue 204 ASP Chi-restraints excluded: chain O residue 208 THR Chi-restraints excluded: chain O residue 219 LEU Chi-restraints excluded: chain O residue 221 ILE Chi-restraints excluded: chain O residue 225 GLN Chi-restraints excluded: chain O residue 234 SER Chi-restraints excluded: chain O residue 239 ASN Chi-restraints excluded: chain O residue 241 LEU Chi-restraints excluded: chain O residue 246 ASN Chi-restraints excluded: chain O residue 249 ASN Chi-restraints excluded: chain O residue 258 LEU Chi-restraints excluded: chain O residue 262 ILE Chi-restraints excluded: chain O residue 264 LEU Chi-restraints excluded: chain O residue 266 THR Chi-restraints excluded: chain O residue 273 ASP Chi-restraints excluded: chain O residue 279 THR Chi-restraints excluded: chain O residue 280 THR Chi-restraints excluded: chain O residue 281 THR Chi-restraints excluded: chain O residue 284 SER Chi-restraints excluded: chain O residue 285 LEU Chi-restraints excluded: chain O residue 288 HIS Chi-restraints excluded: chain O residue 292 LEU Chi-restraints excluded: chain O residue 293 THR Chi-restraints excluded: chain O residue 305 LEU Chi-restraints excluded: chain O residue 319 THR Chi-restraints excluded: chain O residue 321 PRO Chi-restraints excluded: chain O residue 323 ARG Chi-restraints excluded: chain O residue 324 LEU Chi-restraints excluded: chain O residue 325 SER Chi-restraints excluded: chain O residue 326 ILE Chi-restraints excluded: chain O residue 330 SER Chi-restraints excluded: chain O residue 331 ILE Chi-restraints excluded: chain O residue 333 ASP Chi-restraints excluded: chain O residue 339 ASP Chi-restraints excluded: chain O residue 342 LYS Chi-restraints excluded: chain O residue 349 LEU Chi-restraints excluded: chain O residue 351 THR Chi-restraints excluded: chain O residue 352 ILE Chi-restraints excluded: chain O residue 353 ILE Chi-restraints excluded: chain O residue 355 SER Chi-restraints excluded: chain O residue 359 VAL Chi-restraints excluded: chain O residue 367 LYS Chi-restraints excluded: chain O residue 370 ASP Chi-restraints excluded: chain O residue 371 ARG Chi-restraints excluded: chain O residue 373 SER Chi-restraints excluded: chain O residue 381 ILE Chi-restraints excluded: chain O residue 383 THR Chi-restraints excluded: chain O residue 384 ILE Chi-restraints excluded: chain O residue 385 LEU Chi-restraints excluded: chain O residue 389 ILE Chi-restraints excluded: chain O residue 397 ASP Chi-restraints excluded: chain O residue 406 HIS Chi-restraints excluded: chain O residue 408 TYR Chi-restraints excluded: chain O residue 413 LYS Chi-restraints excluded: chain O residue 425 ILE Chi-restraints excluded: chain O residue 431 VAL Chi-restraints excluded: chain O residue 443 ILE Chi-restraints excluded: chain O residue 447 TYR Chi-restraints excluded: chain O residue 452 THR Chi-restraints excluded: chain O residue 456 ASP Chi-restraints excluded: chain O residue 457 ASP Chi-restraints excluded: chain O residue 462 TYR Chi-restraints excluded: chain O residue 471 ILE Chi-restraints excluded: chain O residue 478 ILE Chi-restraints excluded: chain O residue 479 GLU Chi-restraints excluded: chain O residue 485 THR Chi-restraints excluded: chain O residue 487 PHE Chi-restraints excluded: chain O residue 494 PHE Chi-restraints excluded: chain O residue 497 LEU Chi-restraints excluded: chain O residue 501 ILE Chi-restraints excluded: chain O residue 516 ASN Chi-restraints excluded: chain O residue 524 TYR Chi-restraints excluded: chain O residue 528 ILE Chi-restraints excluded: chain O residue 533 PRO Chi-restraints excluded: chain O residue 534 LYS Chi-restraints excluded: chain O residue 536 GLU Chi-restraints excluded: chain O residue 538 LEU Chi-restraints excluded: chain O residue 539 VAL Chi-restraints excluded: chain O residue 544 ASP Chi-restraints excluded: chain O residue 549 ILE Chi-restraints excluded: chain O residue 560 ASP Chi-restraints excluded: chain O residue 570 ASP Chi-restraints excluded: chain O residue 580 GLN Chi-restraints excluded: chain O residue 582 GLN Chi-restraints excluded: chain P residue 12 TYR Chi-restraints excluded: chain P residue 13 LYS Chi-restraints excluded: chain P residue 19 PHE Chi-restraints excluded: chain P residue 25 ASP Chi-restraints excluded: chain P residue 33 GLN Chi-restraints excluded: chain P residue 34 ASP Chi-restraints excluded: chain P residue 38 SER Chi-restraints excluded: chain P residue 39 ILE Chi-restraints excluded: chain P residue 40 LEU Chi-restraints excluded: chain P residue 41 SER Chi-restraints excluded: chain P residue 46 ASP Chi-restraints excluded: chain P residue 51 SER Chi-restraints excluded: chain P residue 58 THR Chi-restraints excluded: chain P residue 74 GLN Chi-restraints excluded: chain P residue 77 VAL Chi-restraints excluded: chain P residue 80 VAL Chi-restraints excluded: chain P residue 81 LEU Chi-restraints excluded: chain P residue 82 ARG Chi-restraints excluded: chain P residue 86 LYS Chi-restraints excluded: chain P residue 87 PHE Chi-restraints excluded: chain P residue 93 LYS Chi-restraints excluded: chain P residue 97 ARG Chi-restraints excluded: chain P residue 101 MET Chi-restraints excluded: chain P residue 103 THR Chi-restraints excluded: chain P residue 107 ILE Chi-restraints excluded: chain P residue 110 ARG Chi-restraints excluded: chain P residue 127 ARG Chi-restraints excluded: chain P residue 131 TYR Chi-restraints excluded: chain P residue 133 LYS Chi-restraints excluded: chain P residue 135 ARG Chi-restraints excluded: chain P residue 141 LEU Chi-restraints excluded: chain P residue 157 LYS Chi-restraints excluded: chain P residue 158 THR Chi-restraints excluded: chain P residue 160 VAL Chi-restraints excluded: chain P residue 162 LEU Chi-restraints excluded: chain P residue 164 VAL Chi-restraints excluded: chain P residue 166 LEU Chi-restraints excluded: chain P residue 173 LYS Chi-restraints excluded: chain P residue 179 PHE Chi-restraints excluded: chain P residue 199 LEU Chi-restraints excluded: chain P residue 203 ILE Chi-restraints excluded: chain P residue 204 ASP Chi-restraints excluded: chain P residue 208 THR Chi-restraints excluded: chain P residue 210 ARG Chi-restraints excluded: chain P residue 211 SER Chi-restraints excluded: chain P residue 217 ILE Chi-restraints excluded: chain P residue 218 LYS Chi-restraints excluded: chain P residue 219 LEU Chi-restraints excluded: chain P residue 221 ILE Chi-restraints excluded: chain P residue 234 SER Chi-restraints excluded: chain P residue 239 ASN Chi-restraints excluded: chain P residue 242 LEU Chi-restraints excluded: chain P residue 247 VAL Chi-restraints excluded: chain P residue 249 ASN Chi-restraints excluded: chain P residue 254 ASN Chi-restraints excluded: chain P residue 258 LEU Chi-restraints excluded: chain P residue 266 THR Chi-restraints excluded: chain P residue 267 ARG Chi-restraints excluded: chain P residue 271 VAL Chi-restraints excluded: chain P residue 273 ASP Chi-restraints excluded: chain P residue 280 THR Chi-restraints excluded: chain P residue 281 THR Chi-restraints excluded: chain P residue 284 SER Chi-restraints excluded: chain P residue 288 HIS Chi-restraints excluded: chain P residue 290 MET Chi-restraints excluded: chain P residue 292 LEU Chi-restraints excluded: chain P residue 293 THR Chi-restraints excluded: chain P residue 297 VAL Chi-restraints excluded: chain P residue 299 SER Chi-restraints excluded: chain P residue 305 LEU Chi-restraints excluded: chain P residue 306 ASP Chi-restraints excluded: chain P residue 307 CYS Chi-restraints excluded: chain P residue 319 THR Chi-restraints excluded: chain P residue 322 ARG Chi-restraints excluded: chain P residue 323 ARG Chi-restraints excluded: chain P residue 324 LEU Chi-restraints excluded: chain P residue 330 SER Chi-restraints excluded: chain P residue 331 ILE Chi-restraints excluded: chain P residue 333 ASP Chi-restraints excluded: chain P residue 338 TRP Chi-restraints excluded: chain P residue 339 ASP Chi-restraints excluded: chain P residue 342 LYS Chi-restraints excluded: chain P residue 349 LEU Chi-restraints excluded: chain P residue 351 THR Chi-restraints excluded: chain P residue 352 ILE Chi-restraints excluded: chain P residue 353 ILE Chi-restraints excluded: chain P residue 359 VAL Chi-restraints excluded: chain P residue 365 TYR Chi-restraints excluded: chain P residue 370 ASP Chi-restraints excluded: chain P residue 373 SER Chi-restraints excluded: chain P residue 381 ILE Chi-restraints excluded: chain P residue 383 THR Chi-restraints excluded: chain P residue 384 ILE Chi-restraints excluded: chain P residue 385 LEU Chi-restraints excluded: chain P residue 397 ASP Chi-restraints excluded: chain P residue 398 VAL Chi-restraints excluded: chain P residue 400 VAL Chi-restraints excluded: chain P residue 406 HIS Chi-restraints excluded: chain P residue 407 LYS Chi-restraints excluded: chain P residue 408 TYR Chi-restraints excluded: chain P residue 413 LYS Chi-restraints excluded: chain P residue 419 THR Chi-restraints excluded: chain P residue 421 SER Chi-restraints excluded: chain P residue 425 ILE Chi-restraints excluded: chain P residue 431 VAL Chi-restraints excluded: chain P residue 443 ILE Chi-restraints excluded: chain P residue 447 TYR Chi-restraints excluded: chain P residue 456 ASP Chi-restraints excluded: chain P residue 457 ASP Chi-restraints excluded: chain P residue 462 TYR Chi-restraints excluded: chain P residue 463 LEU Chi-restraints excluded: chain P residue 471 ILE Chi-restraints excluded: chain P residue 478 ILE Chi-restraints excluded: chain P residue 479 GLU Chi-restraints excluded: chain P residue 480 HIS Chi-restraints excluded: chain P residue 490 VAL Chi-restraints excluded: chain P residue 497 LEU Chi-restraints excluded: chain P residue 501 ILE Chi-restraints excluded: chain P residue 528 ILE Chi-restraints excluded: chain P residue 533 PRO Chi-restraints excluded: chain P residue 536 GLU Chi-restraints excluded: chain P residue 539 VAL Chi-restraints excluded: chain P residue 544 ASP Chi-restraints excluded: chain P residue 549 ILE Chi-restraints excluded: chain P residue 564 ILE Chi-restraints excluded: chain P residue 570 ASP Chi-restraints excluded: chain P residue 576 GLU Chi-restraints excluded: chain Q residue 11 GLN Chi-restraints excluded: chain Q residue 12 TYR Chi-restraints excluded: chain Q residue 13 LYS Chi-restraints excluded: chain Q residue 19 PHE Chi-restraints excluded: chain Q residue 25 ASP Chi-restraints excluded: chain Q residue 26 ASN Chi-restraints excluded: chain Q residue 32 VAL Chi-restraints excluded: chain Q residue 34 ASP Chi-restraints excluded: chain Q residue 35 MET Chi-restraints excluded: chain Q residue 38 SER Chi-restraints excluded: chain Q residue 39 ILE Chi-restraints excluded: chain Q residue 41 SER Chi-restraints excluded: chain Q residue 44 GLU Chi-restraints excluded: chain Q residue 50 MET Chi-restraints excluded: chain Q residue 51 SER Chi-restraints excluded: chain Q residue 58 THR Chi-restraints excluded: chain Q residue 66 LEU Chi-restraints excluded: chain Q residue 77 VAL Chi-restraints excluded: chain Q residue 80 VAL Chi-restraints excluded: chain Q residue 81 LEU Chi-restraints excluded: chain Q residue 82 ARG Chi-restraints excluded: chain Q residue 83 ILE Chi-restraints excluded: chain Q residue 85 TYR Chi-restraints excluded: chain Q residue 87 PHE Chi-restraints excluded: chain Q residue 92 ILE Chi-restraints excluded: chain Q residue 94 THR Chi-restraints excluded: chain Q residue 97 ARG Chi-restraints excluded: chain Q residue 107 ILE Chi-restraints excluded: chain Q residue 110 ARG Chi-restraints excluded: chain Q residue 127 ARG Chi-restraints excluded: chain Q residue 131 TYR Chi-restraints excluded: chain Q residue 139 LEU Chi-restraints excluded: chain Q residue 141 LEU Chi-restraints excluded: chain Q residue 150 ASP Chi-restraints excluded: chain Q residue 153 LEU Chi-restraints excluded: chain Q residue 157 LYS Chi-restraints excluded: chain Q residue 158 THR Chi-restraints excluded: chain Q residue 188 SER Chi-restraints excluded: chain Q residue 191 THR Chi-restraints excluded: chain Q residue 199 LEU Chi-restraints excluded: chain Q residue 204 ASP Chi-restraints excluded: chain Q residue 208 THR Chi-restraints excluded: chain Q residue 219 LEU Chi-restraints excluded: chain Q residue 221 ILE Chi-restraints excluded: chain Q residue 225 GLN Chi-restraints excluded: chain Q residue 234 SER Chi-restraints excluded: chain Q residue 239 ASN Chi-restraints excluded: chain Q residue 241 LEU Chi-restraints excluded: chain Q residue 246 ASN Chi-restraints excluded: chain Q residue 249 ASN Chi-restraints excluded: chain Q residue 258 LEU Chi-restraints excluded: chain Q residue 262 ILE Chi-restraints excluded: chain Q residue 266 THR Chi-restraints excluded: chain Q residue 273 ASP Chi-restraints excluded: chain Q residue 279 THR Chi-restraints excluded: chain Q residue 280 THR Chi-restraints excluded: chain Q residue 281 THR Chi-restraints excluded: chain Q residue 284 SER Chi-restraints excluded: chain Q residue 285 LEU Chi-restraints excluded: chain Q residue 288 HIS Chi-restraints excluded: chain Q residue 292 LEU Chi-restraints excluded: chain Q residue 293 THR Chi-restraints excluded: chain Q residue 305 LEU Chi-restraints excluded: chain Q residue 319 THR Chi-restraints excluded: chain Q residue 321 PRO Chi-restraints excluded: chain Q residue 323 ARG Chi-restraints excluded: chain Q residue 324 LEU Chi-restraints excluded: chain Q residue 325 SER Chi-restraints excluded: chain Q residue 326 ILE Chi-restraints excluded: chain Q residue 330 SER Chi-restraints excluded: chain Q residue 331 ILE Chi-restraints excluded: chain Q residue 333 ASP Chi-restraints excluded: chain Q residue 339 ASP Chi-restraints excluded: chain Q residue 342 LYS Chi-restraints excluded: chain Q residue 351 THR Chi-restraints excluded: chain Q residue 352 ILE Chi-restraints excluded: chain Q residue 353 ILE Chi-restraints excluded: chain Q residue 359 VAL Chi-restraints excluded: chain Q residue 367 LYS Chi-restraints excluded: chain Q residue 370 ASP Chi-restraints excluded: chain Q residue 371 ARG Chi-restraints excluded: chain Q residue 373 SER Chi-restraints excluded: chain Q residue 381 ILE Chi-restraints excluded: chain Q residue 383 THR Chi-restraints excluded: chain Q residue 384 ILE Chi-restraints excluded: chain Q residue 385 LEU Chi-restraints excluded: chain Q residue 389 ILE Chi-restraints excluded: chain Q residue 397 ASP Chi-restraints excluded: chain Q residue 406 HIS Chi-restraints excluded: chain Q residue 408 TYR Chi-restraints excluded: chain Q residue 413 LYS Chi-restraints excluded: chain Q residue 425 ILE Chi-restraints excluded: chain Q residue 431 VAL Chi-restraints excluded: chain Q residue 443 ILE Chi-restraints excluded: chain Q residue 447 TYR Chi-restraints excluded: chain Q residue 452 THR Chi-restraints excluded: chain Q residue 456 ASP Chi-restraints excluded: chain Q residue 457 ASP Chi-restraints excluded: chain Q residue 462 TYR Chi-restraints excluded: chain Q residue 471 ILE Chi-restraints excluded: chain Q residue 478 ILE Chi-restraints excluded: chain Q residue 479 GLU Chi-restraints excluded: chain Q residue 485 THR Chi-restraints excluded: chain Q residue 487 PHE Chi-restraints excluded: chain Q residue 494 PHE Chi-restraints excluded: chain Q residue 497 LEU Chi-restraints excluded: chain Q residue 501 ILE Chi-restraints excluded: chain Q residue 516 ASN Chi-restraints excluded: chain Q residue 524 TYR Chi-restraints excluded: chain Q residue 528 ILE Chi-restraints excluded: chain Q residue 533 PRO Chi-restraints excluded: chain Q residue 534 LYS Chi-restraints excluded: chain Q residue 536 GLU Chi-restraints excluded: chain Q residue 539 VAL Chi-restraints excluded: chain Q residue 544 ASP Chi-restraints excluded: chain Q residue 549 ILE Chi-restraints excluded: chain Q residue 560 ASP Chi-restraints excluded: chain Q residue 570 ASP Chi-restraints excluded: chain Q residue 580 GLN Chi-restraints excluded: chain Q residue 582 GLN Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 8.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 11 GLN ** A 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 69 GLN ** A 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 225 GLN C 239 ASN ** C 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 11 GLN ** D 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 69 GLN ** D 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 11 GLN ** F 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 225 GLN G 239 ASN ** G 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 11 GLN ** H 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 69 GLN ** H 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 69 GLN ** J 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 11 GLN ** L 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 225 GLN M 239 ASN ** M 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 11 GLN ** N 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 69 GLN ** N 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 239 ASN ** O 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 11 GLN ** P 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 69 GLN ** P 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 225 GLN Q 239 ASN ** Q 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 22 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7939 moved from start: 1.5171 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.040 0.331 113878 Z= 2.409 Angle : 2.848 34.801 154904 Z= 1.367 Chirality : 0.112 0.586 19294 Planarity : 0.017 0.138 20033 Dihedral : 16.497 179.732 18284 Min Nonbonded Distance : 1.838 Molprobity Statistics. All-atom Clashscore : 100.56 Ramachandran Plot: Outliers : 1.63 % Allowed : 38.34 % Favored : 60.03 % Rotamer: Outliers : 31.79 % Allowed : 25.86 % Favored : 42.35 % Cbeta Deviations : 0.36 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.29 % Twisted Proline : 8.00 % Twisted General : 4.06 % 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: -7.37 (0.06), residues: 8464 helix: -4.68 (0.04), residues: 4608 sheet: -4.90 (0.14), residues: 528 loop : -5.02 (0.09), residues: 3328 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.052 0.010 TRP A 159 HIS 0.030 0.009 HIS A 470 PHE 0.073 0.009 PHE H 87 TYR 0.073 0.009 TYR C 462 ARG 0.031 0.003 ARG D 82 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 16928 Ramachandran restraints generated. 8464 Oldfield, 0 Emsley, 8464 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 16928 Ramachandran restraints generated. 8464 Oldfield, 0 Emsley, 8464 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3308 residues out of total 8256 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2543 poor density : 765 time to evaluate : 7.510 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 101 MET cc_start: 0.8829 (OUTLIER) cc_final: 0.8208 (tpt) REVERT: A 110 ARG cc_start: 0.9468 (OUTLIER) cc_final: 0.9021 (ttm-80) REVERT: A 131 TYR cc_start: 0.9496 (OUTLIER) cc_final: 0.8786 (t80) REVERT: A 157 LYS cc_start: 0.6368 (OUTLIER) cc_final: 0.3524 (pttm) REVERT: A 210 ARG cc_start: 0.8413 (OUTLIER) cc_final: 0.7825 (tmm160) REVERT: A 327 ILE cc_start: 0.9173 (OUTLIER) cc_final: 0.8901 (mt) REVERT: A 480 HIS cc_start: 0.8458 (OUTLIER) cc_final: 0.8176 (p-80) REVERT: A 583 ARG cc_start: 0.6622 (OUTLIER) cc_final: 0.6392 (ttp80) REVERT: C 12 TYR cc_start: 0.9224 (OUTLIER) cc_final: 0.8530 (t80) REVERT: C 33 GLN cc_start: 0.7723 (OUTLIER) cc_final: 0.6369 (pp30) REVERT: C 65 LEU cc_start: 0.9185 (OUTLIER) cc_final: 0.8712 (tp) REVERT: C 110 ARG cc_start: 0.9452 (OUTLIER) cc_final: 0.8455 (ttm-80) REVERT: C 135 ARG cc_start: 0.9440 (OUTLIER) cc_final: 0.8418 (ttm-80) REVERT: C 199 LEU cc_start: 0.9716 (OUTLIER) cc_final: 0.9511 (tp) REVERT: C 249 ASN cc_start: 0.9115 (OUTLIER) cc_final: 0.8893 (p0) REVERT: C 371 ARG cc_start: 0.7547 (OUTLIER) cc_final: 0.7046 (mmm160) REVERT: C 397 ASP cc_start: 0.6640 (OUTLIER) cc_final: 0.6126 (t0) REVERT: C 462 TYR cc_start: 0.5745 (OUTLIER) cc_final: 0.4129 (m-10) REVERT: C 479 GLU cc_start: 0.6175 (OUTLIER) cc_final: 0.5830 (tp30) REVERT: C 480 HIS cc_start: 0.8540 (OUTLIER) cc_final: 0.8313 (p-80) REVERT: C 487 PHE cc_start: 0.7945 (OUTLIER) cc_final: 0.7624 (t80) REVERT: C 496 PHE cc_start: 0.0478 (OUTLIER) cc_final: -0.0321 (t80) REVERT: C 580 GLN cc_start: 0.8118 (OUTLIER) cc_final: 0.7412 (mm-40) REVERT: D 101 MET cc_start: 0.8833 (OUTLIER) cc_final: 0.8211 (tpt) REVERT: D 110 ARG cc_start: 0.9470 (OUTLIER) cc_final: 0.9066 (ttm-80) REVERT: D 127 ARG cc_start: 0.9337 (OUTLIER) cc_final: 0.8359 (mtp180) REVERT: D 131 TYR cc_start: 0.9493 (OUTLIER) cc_final: 0.8774 (t80) REVERT: D 210 ARG cc_start: 0.8389 (OUTLIER) cc_final: 0.7822 (tmm160) REVERT: D 267 ARG cc_start: 0.9087 (OUTLIER) cc_final: 0.8520 (ttt180) REVERT: D 327 ILE cc_start: 0.9227 (OUTLIER) cc_final: 0.8918 (mt) REVERT: D 480 HIS cc_start: 0.8474 (OUTLIER) cc_final: 0.8196 (p-80) REVERT: D 583 ARG cc_start: 0.6503 (OUTLIER) cc_final: 0.6235 (ttp80) REVERT: E 12 TYR cc_start: 0.9251 (OUTLIER) cc_final: 0.8293 (t80) REVERT: E 33 GLN cc_start: 0.8043 (OUTLIER) cc_final: 0.7533 (pt0) REVERT: E 65 LEU cc_start: 0.9162 (OUTLIER) cc_final: 0.8681 (tp) REVERT: E 110 ARG cc_start: 0.9451 (OUTLIER) cc_final: 0.8446 (ttm-80) REVERT: E 135 ARG cc_start: 0.9446 (OUTLIER) cc_final: 0.8416 (ttm-80) REVERT: E 199 LEU cc_start: 0.9720 (OUTLIER) cc_final: 0.9509 (tp) REVERT: E 239 ASN cc_start: 0.9077 (OUTLIER) cc_final: 0.8663 (p0) REVERT: E 249 ASN cc_start: 0.9125 (OUTLIER) cc_final: 0.8898 (p0) REVERT: E 371 ARG cc_start: 0.7551 (OUTLIER) cc_final: 0.7051 (mmm160) REVERT: E 397 ASP cc_start: 0.6656 (OUTLIER) cc_final: 0.6138 (t0) REVERT: E 462 TYR cc_start: 0.5778 (OUTLIER) cc_final: 0.4161 (m-10) REVERT: E 479 GLU cc_start: 0.6179 (OUTLIER) cc_final: 0.5829 (tp30) REVERT: E 480 HIS cc_start: 0.8538 (OUTLIER) cc_final: 0.8301 (p-80) REVERT: E 487 PHE cc_start: 0.7953 (OUTLIER) cc_final: 0.7521 (t80) REVERT: E 496 PHE cc_start: 0.0494 (OUTLIER) cc_final: -0.0306 (t80) REVERT: E 567 MET cc_start: 0.5855 (tpp) cc_final: 0.5600 (tpp) REVERT: E 580 GLN cc_start: 0.8119 (OUTLIER) cc_final: 0.7435 (mm-40) REVERT: F 74 GLN cc_start: 0.9487 (OUTLIER) cc_final: 0.9145 (tp40) REVERT: F 101 MET cc_start: 0.8849 (OUTLIER) cc_final: 0.8209 (tpt) REVERT: F 110 ARG cc_start: 0.9470 (OUTLIER) cc_final: 0.9025 (ttm-80) REVERT: F 127 ARG cc_start: 0.9340 (OUTLIER) cc_final: 0.8623 (mtp180) REVERT: F 131 TYR cc_start: 0.9492 (OUTLIER) cc_final: 0.8759 (t80) REVERT: F 210 ARG cc_start: 0.8397 (OUTLIER) cc_final: 0.7803 (tmm160) REVERT: F 267 ARG cc_start: 0.9083 (OUTLIER) cc_final: 0.8494 (ttt180) REVERT: F 327 ILE cc_start: 0.9226 (OUTLIER) cc_final: 0.8914 (mt) REVERT: F 480 HIS cc_start: 0.8467 (OUTLIER) cc_final: 0.8188 (p-80) REVERT: F 583 ARG cc_start: 0.6506 (OUTLIER) cc_final: 0.6232 (ttp80) REVERT: G 12 TYR cc_start: 0.9306 (OUTLIER) cc_final: 0.8489 (t80) REVERT: G 33 GLN cc_start: 0.8066 (OUTLIER) cc_final: 0.7560 (pt0) REVERT: G 65 LEU cc_start: 0.9146 (OUTLIER) cc_final: 0.8675 (tp) REVERT: G 110 ARG cc_start: 0.9433 (OUTLIER) cc_final: 0.8478 (ttm-80) REVERT: G 135 ARG cc_start: 0.9464 (OUTLIER) cc_final: 0.8379 (ttm-80) REVERT: G 195 MET cc_start: 0.8871 (tpp) cc_final: 0.8554 (tpp) REVERT: G 249 ASN cc_start: 0.9145 (OUTLIER) cc_final: 0.8914 (p0) REVERT: G 371 ARG cc_start: 0.7546 (OUTLIER) cc_final: 0.7040 (mmm160) REVERT: G 397 ASP cc_start: 0.6630 (OUTLIER) cc_final: 0.6114 (t0) REVERT: G 462 TYR cc_start: 0.5764 (OUTLIER) cc_final: 0.4145 (m-10) REVERT: G 479 GLU cc_start: 0.6171 (OUTLIER) cc_final: 0.5817 (tp30) REVERT: G 480 HIS cc_start: 0.8537 (OUTLIER) cc_final: 0.8296 (p-80) REVERT: G 487 PHE cc_start: 0.7946 (OUTLIER) cc_final: 0.7510 (t80) REVERT: G 496 PHE cc_start: 0.0491 (OUTLIER) cc_final: -0.0315 (t80) REVERT: G 567 MET cc_start: 0.5863 (tpp) cc_final: 0.5599 (tpp) REVERT: G 580 GLN cc_start: 0.8118 (OUTLIER) cc_final: 0.7434 (mm-40) REVERT: H 11 GLN cc_start: 0.8737 (OUTLIER) cc_final: 0.8326 (tt0) REVERT: H 101 MET cc_start: 0.8847 (OUTLIER) cc_final: 0.8237 (tpt) REVERT: H 110 ARG cc_start: 0.9468 (OUTLIER) cc_final: 0.8996 (ttm-80) REVERT: H 127 ARG cc_start: 0.9336 (OUTLIER) cc_final: 0.8559 (mtp180) REVERT: H 131 TYR cc_start: 0.9493 (OUTLIER) cc_final: 0.8754 (t80) REVERT: H 133 LYS cc_start: 0.9111 (OUTLIER) cc_final: 0.8729 (tptt) REVERT: H 210 ARG cc_start: 0.8410 (OUTLIER) cc_final: 0.7842 (tmm160) REVERT: H 267 ARG cc_start: 0.9094 (OUTLIER) cc_final: 0.8510 (ttt180) REVERT: H 285 LEU cc_start: 0.9456 (OUTLIER) cc_final: 0.9255 (mm) REVERT: H 327 ILE cc_start: 0.9224 (OUTLIER) cc_final: 0.8917 (mt) REVERT: H 446 HIS cc_start: 0.9173 (OUTLIER) cc_final: 0.8929 (m90) REVERT: H 480 HIS cc_start: 0.8475 (OUTLIER) cc_final: 0.8194 (p-80) REVERT: H 583 ARG cc_start: 0.6621 (OUTLIER) cc_final: 0.6390 (ttp80) REVERT: I 12 TYR cc_start: 0.9247 (OUTLIER) cc_final: 0.8376 (t80) REVERT: I 33 GLN cc_start: 0.8065 (OUTLIER) cc_final: 0.7558 (pt0) REVERT: I 65 LEU cc_start: 0.9167 (OUTLIER) cc_final: 0.8673 (tp) REVERT: I 110 ARG cc_start: 0.9450 (OUTLIER) cc_final: 0.8469 (ttm-80) REVERT: I 135 ARG cc_start: 0.9449 (OUTLIER) cc_final: 0.8458 (ttm-80) REVERT: I 195 MET cc_start: 0.8841 (tpp) cc_final: 0.8523 (tpp) REVERT: I 199 LEU cc_start: 0.9722 (OUTLIER) cc_final: 0.9510 (tp) REVERT: I 239 ASN cc_start: 0.9082 (OUTLIER) cc_final: 0.8653 (p0) REVERT: I 249 ASN cc_start: 0.9130 (OUTLIER) cc_final: 0.8909 (p0) REVERT: I 371 ARG cc_start: 0.7545 (OUTLIER) cc_final: 0.7040 (mmm160) REVERT: I 397 ASP cc_start: 0.6646 (OUTLIER) cc_final: 0.6136 (t0) REVERT: I 462 TYR cc_start: 0.5745 (OUTLIER) cc_final: 0.4129 (m-10) REVERT: I 479 GLU cc_start: 0.6169 (OUTLIER) cc_final: 0.5816 (tp30) REVERT: I 480 HIS cc_start: 0.8535 (OUTLIER) cc_final: 0.8288 (p-80) REVERT: I 487 PHE cc_start: 0.7946 (OUTLIER) cc_final: 0.7513 (t80) REVERT: I 496 PHE cc_start: 0.0489 (OUTLIER) cc_final: -0.0313 (t80) REVERT: I 567 MET cc_start: 0.5846 (tpp) cc_final: 0.5582 (tpp) REVERT: I 580 GLN cc_start: 0.8125 (OUTLIER) cc_final: 0.7464 (mm-40) REVERT: J 101 MET cc_start: 0.8880 (OUTLIER) cc_final: 0.8257 (tpt) REVERT: J 110 ARG cc_start: 0.9469 (OUTLIER) cc_final: 0.8998 (ttm-80) REVERT: J 131 TYR cc_start: 0.9497 (OUTLIER) cc_final: 0.8757 (t80) REVERT: J 210 ARG cc_start: 0.8378 (OUTLIER) cc_final: 0.7813 (tmm160) REVERT: J 267 ARG cc_start: 0.9077 (OUTLIER) cc_final: 0.8508 (ttt180) REVERT: J 327 ILE cc_start: 0.9218 (OUTLIER) cc_final: 0.8943 (mt) REVERT: J 480 HIS cc_start: 0.8458 (OUTLIER) cc_final: 0.8184 (p-80) REVERT: J 522 LYS cc_start: 0.8872 (OUTLIER) cc_final: 0.8606 (mmmt) REVERT: J 583 ARG cc_start: 0.6620 (OUTLIER) cc_final: 0.6393 (ttp80) REVERT: K 12 TYR cc_start: 0.9264 (OUTLIER) cc_final: 0.8360 (t80) REVERT: K 33 GLN cc_start: 0.8071 (OUTLIER) cc_final: 0.7304 (pt0) REVERT: K 65 LEU cc_start: 0.9166 (OUTLIER) cc_final: 0.8648 (tp) REVERT: K 110 ARG cc_start: 0.9439 (OUTLIER) cc_final: 0.8437 (ttm-80) REVERT: K 135 ARG cc_start: 0.9457 (OUTLIER) cc_final: 0.8385 (ttm-80) REVERT: K 199 LEU cc_start: 0.9718 (OUTLIER) cc_final: 0.9501 (tp) REVERT: K 239 ASN cc_start: 0.9080 (OUTLIER) cc_final: 0.8650 (p0) REVERT: K 249 ASN cc_start: 0.9099 (OUTLIER) cc_final: 0.8895 (p0) REVERT: K 371 ARG cc_start: 0.7543 (OUTLIER) cc_final: 0.7042 (mmm160) REVERT: K 397 ASP cc_start: 0.6649 (OUTLIER) cc_final: 0.6134 (t0) REVERT: K 462 TYR cc_start: 0.5746 (OUTLIER) cc_final: 0.4126 (m-10) REVERT: K 479 GLU cc_start: 0.6161 (OUTLIER) cc_final: 0.5812 (tp30) REVERT: K 480 HIS cc_start: 0.8538 (OUTLIER) cc_final: 0.8314 (p-80) REVERT: K 487 PHE cc_start: 0.7960 (OUTLIER) cc_final: 0.7516 (t80) REVERT: K 496 PHE cc_start: 0.0486 (OUTLIER) cc_final: -0.0323 (t80) REVERT: K 567 MET cc_start: 0.5875 (tpp) cc_final: 0.5639 (tpp) REVERT: K 580 GLN cc_start: 0.8127 (OUTLIER) cc_final: 0.7459 (mm-40) REVERT: L 11 GLN cc_start: 0.8710 (OUTLIER) cc_final: 0.8478 (tt0) REVERT: L 101 MET cc_start: 0.8829 (OUTLIER) cc_final: 0.8233 (tpt) REVERT: L 110 ARG cc_start: 0.9473 (OUTLIER) cc_final: 0.9056 (ttm-80) REVERT: L 127 ARG cc_start: 0.9335 (OUTLIER) cc_final: 0.8984 (mtm110) REVERT: L 131 TYR cc_start: 0.9494 (OUTLIER) cc_final: 0.8755 (t80) REVERT: L 210 ARG cc_start: 0.8395 (OUTLIER) cc_final: 0.7831 (tmm160) REVERT: L 267 ARG cc_start: 0.9171 (OUTLIER) cc_final: 0.8689 (ttt180) REVERT: L 327 ILE cc_start: 0.9218 (OUTLIER) cc_final: 0.8945 (mt) REVERT: L 480 HIS cc_start: 0.8471 (OUTLIER) cc_final: 0.8185 (p-80) REVERT: L 583 ARG cc_start: 0.6625 (OUTLIER) cc_final: 0.6409 (ttp80) REVERT: M 12 TYR cc_start: 0.9302 (OUTLIER) cc_final: 0.8487 (t80) REVERT: M 33 GLN cc_start: 0.8063 (OUTLIER) cc_final: 0.7542 (pt0) REVERT: M 65 LEU cc_start: 0.9171 (OUTLIER) cc_final: 0.8681 (tp) REVERT: M 85 TYR cc_start: 0.8940 (OUTLIER) cc_final: 0.8367 (m-80) REVERT: M 110 ARG cc_start: 0.9463 (OUTLIER) cc_final: 0.8496 (ttm-80) REVERT: M 135 ARG cc_start: 0.9432 (OUTLIER) cc_final: 0.8402 (ttm-80) REVERT: M 195 MET cc_start: 0.8872 (tpp) cc_final: 0.8547 (tpp) REVERT: M 199 LEU cc_start: 0.9721 (OUTLIER) cc_final: 0.9520 (tp) REVERT: M 249 ASN cc_start: 0.9101 (OUTLIER) cc_final: 0.8888 (p0) REVERT: M 371 ARG cc_start: 0.7544 (OUTLIER) cc_final: 0.7034 (mmm160) REVERT: M 397 ASP cc_start: 0.6657 (OUTLIER) cc_final: 0.6294 (t0) REVERT: M 462 TYR cc_start: 0.5748 (OUTLIER) cc_final: 0.4126 (m-10) REVERT: M 479 GLU cc_start: 0.6162 (OUTLIER) cc_final: 0.5813 (tp30) REVERT: M 480 HIS cc_start: 0.8532 (OUTLIER) cc_final: 0.8304 (p-80) REVERT: M 487 PHE cc_start: 0.7962 (OUTLIER) cc_final: 0.7526 (t80) REVERT: M 496 PHE cc_start: 0.0482 (OUTLIER) cc_final: -0.0315 (t80) REVERT: M 567 MET cc_start: 0.5860 (tpp) cc_final: 0.5607 (tpp) REVERT: M 580 GLN cc_start: 0.8126 (OUTLIER) cc_final: 0.7467 (mm-40) REVERT: N 101 MET cc_start: 0.8883 (OUTLIER) cc_final: 0.8257 (tpt) REVERT: N 110 ARG cc_start: 0.9474 (OUTLIER) cc_final: 0.9074 (ttm-80) REVERT: N 127 ARG cc_start: 0.9348 (OUTLIER) cc_final: 0.8593 (mtp180) REVERT: N 131 TYR cc_start: 0.9495 (OUTLIER) cc_final: 0.8721 (t80) REVERT: N 133 LYS cc_start: 0.9108 (OUTLIER) cc_final: 0.8739 (tptt) REVERT: N 210 ARG cc_start: 0.8396 (OUTLIER) cc_final: 0.7810 (tmm160) REVERT: N 267 ARG cc_start: 0.9179 (OUTLIER) cc_final: 0.8695 (ttt180) REVERT: N 327 ILE cc_start: 0.9216 (OUTLIER) cc_final: 0.8928 (mt) REVERT: N 480 HIS cc_start: 0.8462 (OUTLIER) cc_final: 0.8184 (p-80) REVERT: N 583 ARG cc_start: 0.6618 (OUTLIER) cc_final: 0.6372 (ttp80) REVERT: O 12 TYR cc_start: 0.9266 (OUTLIER) cc_final: 0.8316 (t80) REVERT: O 33 GLN cc_start: 0.8069 (OUTLIER) cc_final: 0.7304 (pt0) REVERT: O 65 LEU cc_start: 0.9147 (OUTLIER) cc_final: 0.8655 (tp) REVERT: O 110 ARG cc_start: 0.9434 (OUTLIER) cc_final: 0.8483 (ttm-80) REVERT: O 195 MET cc_start: 0.8879 (tpp) cc_final: 0.8526 (tpp) REVERT: O 199 LEU cc_start: 0.9715 (OUTLIER) cc_final: 0.9511 (tp) REVERT: O 371 ARG cc_start: 0.7543 (OUTLIER) cc_final: 0.7048 (mmm160) REVERT: O 397 ASP cc_start: 0.6648 (OUTLIER) cc_final: 0.6129 (t0) REVERT: O 462 TYR cc_start: 0.5777 (OUTLIER) cc_final: 0.4164 (m-10) REVERT: O 479 GLU cc_start: 0.6170 (OUTLIER) cc_final: 0.5819 (tp30) REVERT: O 480 HIS cc_start: 0.8540 (OUTLIER) cc_final: 0.8317 (p-80) REVERT: O 487 PHE cc_start: 0.7950 (OUTLIER) cc_final: 0.7514 (t80) REVERT: O 496 PHE cc_start: 0.0491 (OUTLIER) cc_final: -0.0304 (t80) REVERT: O 567 MET cc_start: 0.5862 (tpp) cc_final: 0.5612 (tpp) REVERT: O 580 GLN cc_start: 0.8127 (OUTLIER) cc_final: 0.7441 (mm-40) REVERT: P 74 GLN cc_start: 0.9486 (OUTLIER) cc_final: 0.9121 (tp40) REVERT: P 101 MET cc_start: 0.8846 (OUTLIER) cc_final: 0.8214 (tpt) REVERT: P 110 ARG cc_start: 0.9479 (OUTLIER) cc_final: 0.9081 (ttm-80) REVERT: P 127 ARG cc_start: 0.9346 (OUTLIER) cc_final: 0.8443 (mtp180) REVERT: P 131 TYR cc_start: 0.9492 (OUTLIER) cc_final: 0.8763 (t80) REVERT: P 210 ARG cc_start: 0.8412 (OUTLIER) cc_final: 0.7838 (tmm160) REVERT: P 267 ARG cc_start: 0.9189 (OUTLIER) cc_final: 0.8714 (ttt180) REVERT: P 327 ILE cc_start: 0.9216 (OUTLIER) cc_final: 0.8923 (mt) REVERT: P 480 HIS cc_start: 0.8476 (OUTLIER) cc_final: 0.8197 (p-80) REVERT: P 583 ARG cc_start: 0.6512 (OUTLIER) cc_final: 0.6242 (ttp80) REVERT: Q 12 TYR cc_start: 0.9301 (OUTLIER) cc_final: 0.8414 (t80) REVERT: Q 33 GLN cc_start: 0.8041 (OUTLIER) cc_final: 0.7525 (pt0) REVERT: Q 65 LEU cc_start: 0.9161 (OUTLIER) cc_final: 0.8683 (tp) REVERT: Q 110 ARG cc_start: 0.9448 (OUTLIER) cc_final: 0.8451 (ttm-80) REVERT: Q 135 ARG cc_start: 0.9440 (OUTLIER) cc_final: 0.8411 (ttm-80) REVERT: Q 195 MET cc_start: 0.8912 (tpp) cc_final: 0.8557 (tpp) REVERT: Q 249 ASN cc_start: 0.9121 (OUTLIER) cc_final: 0.8910 (p0) REVERT: Q 251 LYS cc_start: 0.9362 (OUTLIER) cc_final: 0.9156 (ttmm) REVERT: Q 371 ARG cc_start: 0.7550 (OUTLIER) cc_final: 0.7047 (mmm160) REVERT: Q 397 ASP cc_start: 0.6655 (OUTLIER) cc_final: 0.6130 (t0) REVERT: Q 462 TYR cc_start: 0.5794 (OUTLIER) cc_final: 0.4202 (m-10) REVERT: Q 479 GLU cc_start: 0.6166 (OUTLIER) cc_final: 0.5824 (tp30) REVERT: Q 480 HIS cc_start: 0.8534 (OUTLIER) cc_final: 0.8302 (p-80) REVERT: Q 487 PHE cc_start: 0.7951 (OUTLIER) cc_final: 0.7519 (t80) REVERT: Q 496 PHE cc_start: 0.0477 (OUTLIER) cc_final: -0.0322 (t80) REVERT: Q 567 MET cc_start: 0.5862 (tpp) cc_final: 0.5605 (tpp) REVERT: Q 580 GLN cc_start: 0.8121 (OUTLIER) cc_final: 0.7424 (mm-40) outliers start: 2543 outliers final: 1894 residues processed: 3108 average time/residue: 0.9490 time to fit residues: 5155.4923 Evaluate side-chains 2804 residues out of total 8256 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2094 poor density : 710 time to evaluate : 7.435 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 12 TYR Chi-restraints excluded: chain A residue 13 LYS Chi-restraints excluded: chain A residue 19 PHE Chi-restraints excluded: chain A residue 25 ASP Chi-restraints excluded: chain A residue 32 VAL Chi-restraints excluded: chain A residue 33 GLN Chi-restraints excluded: chain A residue 34 ASP Chi-restraints excluded: chain A residue 38 SER Chi-restraints excluded: chain A residue 39 ILE Chi-restraints excluded: chain A residue 40 LEU Chi-restraints excluded: chain A residue 41 SER Chi-restraints excluded: chain A residue 46 ASP Chi-restraints excluded: chain A residue 51 SER Chi-restraints excluded: chain A residue 58 THR Chi-restraints excluded: chain A residue 77 VAL Chi-restraints excluded: chain A residue 80 VAL Chi-restraints excluded: chain A residue 81 LEU Chi-restraints excluded: chain A residue 82 ARG Chi-restraints excluded: chain A residue 92 ILE Chi-restraints excluded: chain A residue 93 LYS Chi-restraints excluded: chain A residue 97 ARG Chi-restraints excluded: chain A residue 100 SER Chi-restraints excluded: chain A residue 101 MET Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 110 ARG Chi-restraints excluded: chain A residue 124 ASN Chi-restraints excluded: chain A residue 126 SER Chi-restraints excluded: chain A residue 131 TYR Chi-restraints excluded: chain A residue 135 ARG Chi-restraints excluded: chain A residue 141 LEU Chi-restraints excluded: chain A residue 157 LYS Chi-restraints excluded: chain A residue 158 THR Chi-restraints excluded: chain A residue 162 LEU Chi-restraints excluded: chain A residue 164 VAL Chi-restraints excluded: chain A residue 166 LEU Chi-restraints excluded: chain A residue 173 LYS Chi-restraints excluded: chain A residue 177 LYS Chi-restraints excluded: chain A residue 179 PHE Chi-restraints excluded: chain A residue 188 SER Chi-restraints excluded: chain A residue 193 LEU Chi-restraints excluded: chain A residue 199 LEU Chi-restraints excluded: chain A residue 203 ILE Chi-restraints excluded: chain A residue 204 ASP Chi-restraints excluded: chain A residue 208 THR Chi-restraints excluded: chain A residue 210 ARG Chi-restraints excluded: chain A residue 211 SER Chi-restraints excluded: chain A residue 217 ILE Chi-restraints excluded: chain A residue 218 LYS Chi-restraints excluded: chain A residue 219 LEU Chi-restraints excluded: chain A residue 221 ILE Chi-restraints excluded: chain A residue 236 PRO Chi-restraints excluded: chain A residue 239 ASN Chi-restraints excluded: chain A residue 242 LEU Chi-restraints excluded: chain A residue 247 VAL Chi-restraints excluded: chain A residue 249 ASN Chi-restraints excluded: chain A residue 254 ASN Chi-restraints excluded: chain A residue 256 PHE Chi-restraints excluded: chain A residue 258 LEU Chi-restraints excluded: chain A residue 266 THR Chi-restraints excluded: chain A residue 271 VAL Chi-restraints excluded: chain A residue 273 ASP Chi-restraints excluded: chain A residue 280 THR Chi-restraints excluded: chain A residue 281 THR Chi-restraints excluded: chain A residue 285 LEU Chi-restraints excluded: chain A residue 288 HIS Chi-restraints excluded: chain A residue 290 MET Chi-restraints excluded: chain A residue 292 LEU Chi-restraints excluded: chain A residue 293 THR Chi-restraints excluded: chain A residue 297 VAL Chi-restraints excluded: chain A residue 299 SER Chi-restraints excluded: chain A residue 306 ASP Chi-restraints excluded: chain A residue 319 THR Chi-restraints excluded: chain A residue 321 PRO Chi-restraints excluded: chain A residue 322 ARG Chi-restraints excluded: chain A residue 323 ARG Chi-restraints excluded: chain A residue 327 ILE Chi-restraints excluded: chain A residue 330 SER Chi-restraints excluded: chain A residue 331 ILE Chi-restraints excluded: chain A residue 333 ASP Chi-restraints excluded: chain A residue 338 TRP Chi-restraints excluded: chain A residue 339 ASP Chi-restraints excluded: chain A residue 342 LYS Chi-restraints excluded: chain A residue 349 LEU Chi-restraints excluded: chain A residue 351 THR Chi-restraints excluded: chain A residue 352 ILE Chi-restraints excluded: chain A residue 353 ILE Chi-restraints excluded: chain A residue 367 LYS Chi-restraints excluded: chain A residue 370 ASP Chi-restraints excluded: chain A residue 373 SER Chi-restraints excluded: chain A residue 378 SER Chi-restraints excluded: chain A residue 381 ILE Chi-restraints excluded: chain A residue 383 THR Chi-restraints excluded: chain A residue 384 ILE Chi-restraints excluded: chain A residue 385 LEU Chi-restraints excluded: chain A residue 398 VAL Chi-restraints excluded: chain A residue 406 HIS Chi-restraints excluded: chain A residue 407 LYS Chi-restraints excluded: chain A residue 408 TYR Chi-restraints excluded: chain A residue 413 LYS Chi-restraints excluded: chain A residue 419 THR Chi-restraints excluded: chain A residue 421 SER Chi-restraints excluded: chain A residue 430 LYS Chi-restraints excluded: chain A residue 431 VAL Chi-restraints excluded: chain A residue 452 THR Chi-restraints excluded: chain A residue 456 ASP Chi-restraints excluded: chain A residue 457 ASP Chi-restraints excluded: chain A residue 462 TYR Chi-restraints excluded: chain A residue 471 ILE Chi-restraints excluded: chain A residue 478 ILE Chi-restraints excluded: chain A residue 479 GLU Chi-restraints excluded: chain A residue 480 HIS Chi-restraints excluded: chain A residue 489 MET Chi-restraints excluded: chain A residue 490 VAL Chi-restraints excluded: chain A residue 497 LEU Chi-restraints excluded: chain A residue 501 ILE Chi-restraints excluded: chain A residue 528 ILE Chi-restraints excluded: chain A residue 536 GLU Chi-restraints excluded: chain A residue 539 VAL Chi-restraints excluded: chain A residue 544 ASP Chi-restraints excluded: chain A residue 564 ILE Chi-restraints excluded: chain A residue 570 ASP Chi-restraints excluded: chain A residue 573 ILE Chi-restraints excluded: chain A residue 576 GLU Chi-restraints excluded: chain A residue 583 ARG Chi-restraints excluded: chain C residue 11 GLN Chi-restraints excluded: chain C residue 12 TYR Chi-restraints excluded: chain C residue 13 LYS Chi-restraints excluded: chain C residue 15 ILE Chi-restraints excluded: chain C residue 19 PHE Chi-restraints excluded: chain C residue 25 ASP Chi-restraints excluded: chain C residue 26 ASN Chi-restraints excluded: chain C residue 32 VAL Chi-restraints excluded: chain C residue 33 GLN Chi-restraints excluded: chain C residue 38 SER Chi-restraints excluded: chain C residue 39 ILE Chi-restraints excluded: chain C residue 41 SER Chi-restraints excluded: chain C residue 44 GLU Chi-restraints excluded: chain C residue 50 MET Chi-restraints excluded: chain C residue 51 SER Chi-restraints excluded: chain C residue 58 THR Chi-restraints excluded: chain C residue 65 LEU Chi-restraints excluded: chain C residue 66 LEU Chi-restraints excluded: chain C residue 77 VAL Chi-restraints excluded: chain C residue 80 VAL Chi-restraints excluded: chain C residue 81 LEU Chi-restraints excluded: chain C residue 82 ARG Chi-restraints excluded: chain C residue 83 ILE Chi-restraints excluded: chain C residue 85 TYR Chi-restraints excluded: chain C residue 92 ILE Chi-restraints excluded: chain C residue 94 THR Chi-restraints excluded: chain C residue 97 ARG Chi-restraints excluded: chain C residue 100 SER Chi-restraints excluded: chain C residue 107 ILE Chi-restraints excluded: chain C residue 110 ARG Chi-restraints excluded: chain C residue 127 ARG Chi-restraints excluded: chain C residue 131 TYR Chi-restraints excluded: chain C residue 135 ARG Chi-restraints excluded: chain C residue 139 LEU Chi-restraints excluded: chain C residue 141 LEU Chi-restraints excluded: chain C residue 153 LEU Chi-restraints excluded: chain C residue 157 LYS Chi-restraints excluded: chain C residue 158 THR Chi-restraints excluded: chain C residue 160 VAL Chi-restraints excluded: chain C residue 166 LEU Chi-restraints excluded: chain C residue 167 SER Chi-restraints excluded: chain C residue 188 SER Chi-restraints excluded: chain C residue 191 THR Chi-restraints excluded: chain C residue 199 LEU Chi-restraints excluded: chain C residue 204 ASP Chi-restraints excluded: chain C residue 208 THR Chi-restraints excluded: chain C residue 219 LEU Chi-restraints excluded: chain C residue 221 ILE Chi-restraints excluded: chain C residue 234 SER Chi-restraints excluded: chain C residue 239 ASN Chi-restraints excluded: chain C residue 246 ASN Chi-restraints excluded: chain C residue 249 ASN Chi-restraints excluded: chain C residue 258 LEU Chi-restraints excluded: chain C residue 262 ILE Chi-restraints excluded: chain C residue 266 THR Chi-restraints excluded: chain C residue 273 ASP Chi-restraints excluded: chain C residue 275 LEU Chi-restraints excluded: chain C residue 279 THR Chi-restraints excluded: chain C residue 280 THR Chi-restraints excluded: chain C residue 281 THR Chi-restraints excluded: chain C residue 284 SER Chi-restraints excluded: chain C residue 285 LEU Chi-restraints excluded: chain C residue 288 HIS Chi-restraints excluded: chain C residue 291 THR Chi-restraints excluded: chain C residue 292 LEU Chi-restraints excluded: chain C residue 293 THR Chi-restraints excluded: chain C residue 305 LEU Chi-restraints excluded: chain C residue 321 PRO Chi-restraints excluded: chain C residue 323 ARG Chi-restraints excluded: chain C residue 324 LEU Chi-restraints excluded: chain C residue 325 SER Chi-restraints excluded: chain C residue 326 ILE Chi-restraints excluded: chain C residue 327 ILE Chi-restraints excluded: chain C residue 329 GLU Chi-restraints excluded: chain C residue 331 ILE Chi-restraints excluded: chain C residue 333 ASP Chi-restraints excluded: chain C residue 338 TRP Chi-restraints excluded: chain C residue 339 ASP Chi-restraints excluded: chain C residue 342 LYS Chi-restraints excluded: chain C residue 351 THR Chi-restraints excluded: chain C residue 352 ILE Chi-restraints excluded: chain C residue 353 ILE Chi-restraints excluded: chain C residue 355 SER Chi-restraints excluded: chain C residue 359 VAL Chi-restraints excluded: chain C residue 365 TYR Chi-restraints excluded: chain C residue 367 LYS Chi-restraints excluded: chain C residue 370 ASP Chi-restraints excluded: chain C residue 371 ARG Chi-restraints excluded: chain C residue 373 SER Chi-restraints excluded: chain C residue 381 ILE Chi-restraints excluded: chain C residue 383 THR Chi-restraints excluded: chain C residue 384 ILE Chi-restraints excluded: chain C residue 385 LEU Chi-restraints excluded: chain C residue 387 SER Chi-restraints excluded: chain C residue 389 ILE Chi-restraints excluded: chain C residue 397 ASP Chi-restraints excluded: chain C residue 406 HIS Chi-restraints excluded: chain C residue 407 LYS Chi-restraints excluded: chain C residue 408 TYR Chi-restraints excluded: chain C residue 413 LYS Chi-restraints excluded: chain C residue 425 ILE Chi-restraints excluded: chain C residue 431 VAL Chi-restraints excluded: chain C residue 451 LYS Chi-restraints excluded: chain C residue 452 THR Chi-restraints excluded: chain C residue 456 ASP Chi-restraints excluded: chain C residue 457 ASP Chi-restraints excluded: chain C residue 462 TYR Chi-restraints excluded: chain C residue 463 LEU Chi-restraints excluded: chain C residue 471 ILE Chi-restraints excluded: chain C residue 478 ILE Chi-restraints excluded: chain C residue 479 GLU Chi-restraints excluded: chain C residue 480 HIS Chi-restraints excluded: chain C residue 485 THR Chi-restraints excluded: chain C residue 487 PHE Chi-restraints excluded: chain C residue 494 PHE Chi-restraints excluded: chain C residue 496 PHE Chi-restraints excluded: chain C residue 497 LEU Chi-restraints excluded: chain C residue 499 GLN Chi-restraints excluded: chain C residue 501 ILE Chi-restraints excluded: chain C residue 516 ASN Chi-restraints excluded: chain C residue 524 TYR Chi-restraints excluded: chain C residue 526 PRO Chi-restraints excluded: chain C residue 528 ILE Chi-restraints excluded: chain C residue 536 GLU Chi-restraints excluded: chain C residue 539 VAL Chi-restraints excluded: chain C residue 544 ASP Chi-restraints excluded: chain C residue 559 THR Chi-restraints excluded: chain C residue 564 ILE Chi-restraints excluded: chain C residue 570 ASP Chi-restraints excluded: chain C residue 576 GLU Chi-restraints excluded: chain C residue 580 GLN Chi-restraints excluded: chain C residue 582 GLN Chi-restraints excluded: chain D residue 12 TYR Chi-restraints excluded: chain D residue 13 LYS Chi-restraints excluded: chain D residue 19 PHE Chi-restraints excluded: chain D residue 25 ASP Chi-restraints excluded: chain D residue 32 VAL Chi-restraints excluded: chain D residue 33 GLN Chi-restraints excluded: chain D residue 34 ASP Chi-restraints excluded: chain D residue 38 SER Chi-restraints excluded: chain D residue 39 ILE Chi-restraints excluded: chain D residue 40 LEU Chi-restraints excluded: chain D residue 41 SER Chi-restraints excluded: chain D residue 46 ASP Chi-restraints excluded: chain D residue 51 SER Chi-restraints excluded: chain D residue 58 THR Chi-restraints excluded: chain D residue 60 ARG Chi-restraints excluded: chain D residue 77 VAL Chi-restraints excluded: chain D residue 80 VAL Chi-restraints excluded: chain D residue 82 ARG Chi-restraints excluded: chain D residue 92 ILE Chi-restraints excluded: chain D residue 93 LYS Chi-restraints excluded: chain D residue 97 ARG Chi-restraints excluded: chain D residue 100 SER Chi-restraints excluded: chain D residue 101 MET Chi-restraints excluded: chain D residue 107 ILE Chi-restraints excluded: chain D residue 110 ARG Chi-restraints excluded: chain D residue 124 ASN Chi-restraints excluded: chain D residue 127 ARG Chi-restraints excluded: chain D residue 131 TYR Chi-restraints excluded: chain D residue 135 ARG Chi-restraints excluded: chain D residue 141 LEU Chi-restraints excluded: chain D residue 153 LEU Chi-restraints excluded: chain D residue 157 LYS Chi-restraints excluded: chain D residue 158 THR Chi-restraints excluded: chain D residue 162 LEU Chi-restraints excluded: chain D residue 164 VAL Chi-restraints excluded: chain D residue 166 LEU Chi-restraints excluded: chain D residue 173 LYS Chi-restraints excluded: chain D residue 177 LYS Chi-restraints excluded: chain D residue 188 SER Chi-restraints excluded: chain D residue 193 LEU Chi-restraints excluded: chain D residue 199 LEU Chi-restraints excluded: chain D residue 203 ILE Chi-restraints excluded: chain D residue 204 ASP Chi-restraints excluded: chain D residue 208 THR Chi-restraints excluded: chain D residue 210 ARG Chi-restraints excluded: chain D residue 211 SER Chi-restraints excluded: chain D residue 217 ILE Chi-restraints excluded: chain D residue 218 LYS Chi-restraints excluded: chain D residue 219 LEU Chi-restraints excluded: chain D residue 221 ILE Chi-restraints excluded: chain D residue 236 PRO Chi-restraints excluded: chain D residue 239 ASN Chi-restraints excluded: chain D residue 242 LEU Chi-restraints excluded: chain D residue 245 LEU Chi-restraints excluded: chain D residue 249 ASN Chi-restraints excluded: chain D residue 254 ASN Chi-restraints excluded: chain D residue 256 PHE Chi-restraints excluded: chain D residue 258 LEU Chi-restraints excluded: chain D residue 266 THR Chi-restraints excluded: chain D residue 267 ARG Chi-restraints excluded: chain D residue 271 VAL Chi-restraints excluded: chain D residue 273 ASP Chi-restraints excluded: chain D residue 280 THR Chi-restraints excluded: chain D residue 281 THR Chi-restraints excluded: chain D residue 284 SER Chi-restraints excluded: chain D residue 288 HIS Chi-restraints excluded: chain D residue 290 MET Chi-restraints excluded: chain D residue 292 LEU Chi-restraints excluded: chain D residue 293 THR Chi-restraints excluded: chain D residue 297 VAL Chi-restraints excluded: chain D residue 299 SER Chi-restraints excluded: chain D residue 319 THR Chi-restraints excluded: chain D residue 322 ARG Chi-restraints excluded: chain D residue 323 ARG Chi-restraints excluded: chain D residue 324 LEU Chi-restraints excluded: chain D residue 325 SER Chi-restraints excluded: chain D residue 327 ILE Chi-restraints excluded: chain D residue 330 SER Chi-restraints excluded: chain D residue 331 ILE Chi-restraints excluded: chain D residue 333 ASP Chi-restraints excluded: chain D residue 338 TRP Chi-restraints excluded: chain D residue 339 ASP Chi-restraints excluded: chain D residue 342 LYS Chi-restraints excluded: chain D residue 349 LEU Chi-restraints excluded: chain D residue 351 THR Chi-restraints excluded: chain D residue 352 ILE Chi-restraints excluded: chain D residue 353 ILE Chi-restraints excluded: chain D residue 365 TYR Chi-restraints excluded: chain D residue 367 LYS Chi-restraints excluded: chain D residue 370 ASP Chi-restraints excluded: chain D residue 373 SER Chi-restraints excluded: chain D residue 378 SER Chi-restraints excluded: chain D residue 381 ILE Chi-restraints excluded: chain D residue 383 THR Chi-restraints excluded: chain D residue 384 ILE Chi-restraints excluded: chain D residue 385 LEU Chi-restraints excluded: chain D residue 398 VAL Chi-restraints excluded: chain D residue 406 HIS Chi-restraints excluded: chain D residue 407 LYS Chi-restraints excluded: chain D residue 408 TYR Chi-restraints excluded: chain D residue 413 LYS Chi-restraints excluded: chain D residue 419 THR Chi-restraints excluded: chain D residue 421 SER Chi-restraints excluded: chain D residue 431 VAL Chi-restraints excluded: chain D residue 452 THR Chi-restraints excluded: chain D residue 456 ASP Chi-restraints excluded: chain D residue 457 ASP Chi-restraints excluded: chain D residue 462 TYR Chi-restraints excluded: chain D residue 471 ILE Chi-restraints excluded: chain D residue 478 ILE Chi-restraints excluded: chain D residue 479 GLU Chi-restraints excluded: chain D residue 480 HIS Chi-restraints excluded: chain D residue 489 MET Chi-restraints excluded: chain D residue 490 VAL Chi-restraints excluded: chain D residue 497 LEU Chi-restraints excluded: chain D residue 501 ILE Chi-restraints excluded: chain D residue 528 ILE Chi-restraints excluded: chain D residue 536 GLU Chi-restraints excluded: chain D residue 539 VAL Chi-restraints excluded: chain D residue 544 ASP Chi-restraints excluded: chain D residue 564 ILE Chi-restraints excluded: chain D residue 570 ASP Chi-restraints excluded: chain D residue 573 ILE Chi-restraints excluded: chain D residue 576 GLU Chi-restraints excluded: chain D residue 583 ARG Chi-restraints excluded: chain E residue 11 GLN Chi-restraints excluded: chain E residue 12 TYR Chi-restraints excluded: chain E residue 13 LYS Chi-restraints excluded: chain E residue 19 PHE Chi-restraints excluded: chain E residue 25 ASP Chi-restraints excluded: chain E residue 26 ASN Chi-restraints excluded: chain E residue 32 VAL Chi-restraints excluded: chain E residue 33 GLN Chi-restraints excluded: chain E residue 34 ASP Chi-restraints excluded: chain E residue 35 MET Chi-restraints excluded: chain E residue 38 SER Chi-restraints excluded: chain E residue 39 ILE Chi-restraints excluded: chain E residue 41 SER Chi-restraints excluded: chain E residue 44 GLU Chi-restraints excluded: chain E residue 50 MET Chi-restraints excluded: chain E residue 51 SER Chi-restraints excluded: chain E residue 58 THR Chi-restraints excluded: chain E residue 65 LEU Chi-restraints excluded: chain E residue 66 LEU Chi-restraints excluded: chain E residue 70 GLU Chi-restraints excluded: chain E residue 77 VAL Chi-restraints excluded: chain E residue 80 VAL Chi-restraints excluded: chain E residue 81 LEU Chi-restraints excluded: chain E residue 82 ARG Chi-restraints excluded: chain E residue 83 ILE Chi-restraints excluded: chain E residue 85 TYR Chi-restraints excluded: chain E residue 92 ILE Chi-restraints excluded: chain E residue 94 THR Chi-restraints excluded: chain E residue 97 ARG Chi-restraints excluded: chain E residue 100 SER Chi-restraints excluded: chain E residue 107 ILE Chi-restraints excluded: chain E residue 110 ARG Chi-restraints excluded: chain E residue 127 ARG Chi-restraints excluded: chain E residue 131 TYR Chi-restraints excluded: chain E residue 135 ARG Chi-restraints excluded: chain E residue 139 LEU Chi-restraints excluded: chain E residue 141 LEU Chi-restraints excluded: chain E residue 153 LEU Chi-restraints excluded: chain E residue 157 LYS Chi-restraints excluded: chain E residue 158 THR Chi-restraints excluded: chain E residue 160 VAL Chi-restraints excluded: chain E residue 166 LEU Chi-restraints excluded: chain E residue 167 SER Chi-restraints excluded: chain E residue 188 SER Chi-restraints excluded: chain E residue 191 THR Chi-restraints excluded: chain E residue 199 LEU Chi-restraints excluded: chain E residue 204 ASP Chi-restraints excluded: chain E residue 208 THR Chi-restraints excluded: chain E residue 219 LEU Chi-restraints excluded: chain E residue 221 ILE Chi-restraints excluded: chain E residue 225 GLN Chi-restraints excluded: chain E residue 234 SER Chi-restraints excluded: chain E residue 239 ASN Chi-restraints excluded: chain E residue 246 ASN Chi-restraints excluded: chain E residue 249 ASN Chi-restraints excluded: chain E residue 258 LEU Chi-restraints excluded: chain E residue 262 ILE Chi-restraints excluded: chain E residue 266 THR Chi-restraints excluded: chain E residue 273 ASP Chi-restraints excluded: chain E residue 274 PHE Chi-restraints excluded: chain E residue 275 LEU Chi-restraints excluded: chain E residue 279 THR Chi-restraints excluded: chain E residue 280 THR Chi-restraints excluded: chain E residue 281 THR Chi-restraints excluded: chain E residue 284 SER Chi-restraints excluded: chain E residue 285 LEU Chi-restraints excluded: chain E residue 288 HIS Chi-restraints excluded: chain E residue 291 THR Chi-restraints excluded: chain E residue 292 LEU Chi-restraints excluded: chain E residue 293 THR Chi-restraints excluded: chain E residue 305 LEU Chi-restraints excluded: chain E residue 321 PRO Chi-restraints excluded: chain E residue 323 ARG Chi-restraints excluded: chain E residue 324 LEU Chi-restraints excluded: chain E residue 325 SER Chi-restraints excluded: chain E residue 326 ILE Chi-restraints excluded: chain E residue 327 ILE Chi-restraints excluded: chain E residue 329 GLU Chi-restraints excluded: chain E residue 331 ILE Chi-restraints excluded: chain E residue 333 ASP Chi-restraints excluded: chain E residue 338 TRP Chi-restraints excluded: chain E residue 339 ASP Chi-restraints excluded: chain E residue 351 THR Chi-restraints excluded: chain E residue 352 ILE Chi-restraints excluded: chain E residue 353 ILE Chi-restraints excluded: chain E residue 355 SER Chi-restraints excluded: chain E residue 359 VAL Chi-restraints excluded: chain E residue 365 TYR Chi-restraints excluded: chain E residue 367 LYS Chi-restraints excluded: chain E residue 370 ASP Chi-restraints excluded: chain E residue 371 ARG Chi-restraints excluded: chain E residue 373 SER Chi-restraints excluded: chain E residue 381 ILE Chi-restraints excluded: chain E residue 383 THR Chi-restraints excluded: chain E residue 384 ILE Chi-restraints excluded: chain E residue 385 LEU Chi-restraints excluded: chain E residue 387 SER Chi-restraints excluded: chain E residue 389 ILE Chi-restraints excluded: chain E residue 397 ASP Chi-restraints excluded: chain E residue 406 HIS Chi-restraints excluded: chain E residue 407 LYS Chi-restraints excluded: chain E residue 408 TYR Chi-restraints excluded: chain E residue 413 LYS Chi-restraints excluded: chain E residue 425 ILE Chi-restraints excluded: chain E residue 431 VAL Chi-restraints excluded: chain E residue 451 LYS Chi-restraints excluded: chain E residue 452 THR Chi-restraints excluded: chain E residue 456 ASP Chi-restraints excluded: chain E residue 457 ASP Chi-restraints excluded: chain E residue 462 TYR Chi-restraints excluded: chain E residue 463 LEU Chi-restraints excluded: chain E residue 471 ILE Chi-restraints excluded: chain E residue 478 ILE Chi-restraints excluded: chain E residue 479 GLU Chi-restraints excluded: chain E residue 480 HIS Chi-restraints excluded: chain E residue 485 THR Chi-restraints excluded: chain E residue 487 PHE Chi-restraints excluded: chain E residue 494 PHE Chi-restraints excluded: chain E residue 496 PHE Chi-restraints excluded: chain E residue 497 LEU Chi-restraints excluded: chain E residue 499 GLN Chi-restraints excluded: chain E residue 501 ILE Chi-restraints excluded: chain E residue 516 ASN Chi-restraints excluded: chain E residue 524 TYR Chi-restraints excluded: chain E residue 526 PRO Chi-restraints excluded: chain E residue 528 ILE Chi-restraints excluded: chain E residue 536 GLU Chi-restraints excluded: chain E residue 539 VAL Chi-restraints excluded: chain E residue 544 ASP Chi-restraints excluded: chain E residue 559 THR Chi-restraints excluded: chain E residue 564 ILE Chi-restraints excluded: chain E residue 576 GLU Chi-restraints excluded: chain E residue 580 GLN Chi-restraints excluded: chain E residue 582 GLN Chi-restraints excluded: chain F residue 12 TYR Chi-restraints excluded: chain F residue 13 LYS Chi-restraints excluded: chain F residue 19 PHE Chi-restraints excluded: chain F residue 25 ASP Chi-restraints excluded: chain F residue 32 VAL Chi-restraints excluded: chain F residue 33 GLN Chi-restraints excluded: chain F residue 34 ASP Chi-restraints excluded: chain F residue 38 SER Chi-restraints excluded: chain F residue 39 ILE Chi-restraints excluded: chain F residue 40 LEU Chi-restraints excluded: chain F residue 41 SER Chi-restraints excluded: chain F residue 46 ASP Chi-restraints excluded: chain F residue 51 SER Chi-restraints excluded: chain F residue 58 THR Chi-restraints excluded: chain F residue 74 GLN Chi-restraints excluded: chain F residue 77 VAL Chi-restraints excluded: chain F residue 80 VAL Chi-restraints excluded: chain F residue 81 LEU Chi-restraints excluded: chain F residue 82 ARG Chi-restraints excluded: chain F residue 89 MET Chi-restraints excluded: chain F residue 92 ILE Chi-restraints excluded: chain F residue 93 LYS Chi-restraints excluded: chain F residue 97 ARG Chi-restraints excluded: chain F residue 100 SER Chi-restraints excluded: chain F residue 101 MET Chi-restraints excluded: chain F residue 107 ILE Chi-restraints excluded: chain F residue 110 ARG Chi-restraints excluded: chain F residue 116 ASP Chi-restraints excluded: chain F residue 124 ASN Chi-restraints excluded: chain F residue 127 ARG Chi-restraints excluded: chain F residue 131 TYR Chi-restraints excluded: chain F residue 135 ARG Chi-restraints excluded: chain F residue 141 LEU Chi-restraints excluded: chain F residue 153 LEU Chi-restraints excluded: chain F residue 157 LYS Chi-restraints excluded: chain F residue 158 THR Chi-restraints excluded: chain F residue 162 LEU Chi-restraints excluded: chain F residue 164 VAL Chi-restraints excluded: chain F residue 166 LEU Chi-restraints excluded: chain F residue 173 LYS Chi-restraints excluded: chain F residue 179 PHE Chi-restraints excluded: chain F residue 191 THR Chi-restraints excluded: chain F residue 193 LEU Chi-restraints excluded: chain F residue 199 LEU Chi-restraints excluded: chain F residue 203 ILE Chi-restraints excluded: chain F residue 204 ASP Chi-restraints excluded: chain F residue 208 THR Chi-restraints excluded: chain F residue 210 ARG Chi-restraints excluded: chain F residue 211 SER Chi-restraints excluded: chain F residue 217 ILE Chi-restraints excluded: chain F residue 218 LYS Chi-restraints excluded: chain F residue 219 LEU Chi-restraints excluded: chain F residue 221 ILE Chi-restraints excluded: chain F residue 236 PRO Chi-restraints excluded: chain F residue 239 ASN Chi-restraints excluded: chain F residue 242 LEU Chi-restraints excluded: chain F residue 245 LEU Chi-restraints excluded: chain F residue 249 ASN Chi-restraints excluded: chain F residue 251 LYS Chi-restraints excluded: chain F residue 254 ASN Chi-restraints excluded: chain F residue 256 PHE Chi-restraints excluded: chain F residue 258 LEU Chi-restraints excluded: chain F residue 266 THR Chi-restraints excluded: chain F residue 267 ARG Chi-restraints excluded: chain F residue 271 VAL Chi-restraints excluded: chain F residue 273 ASP Chi-restraints excluded: chain F residue 280 THR Chi-restraints excluded: chain F residue 281 THR Chi-restraints excluded: chain F residue 284 SER Chi-restraints excluded: chain F residue 288 HIS Chi-restraints excluded: chain F residue 290 MET Chi-restraints excluded: chain F residue 292 LEU Chi-restraints excluded: chain F residue 293 THR Chi-restraints excluded: chain F residue 297 VAL Chi-restraints excluded: chain F residue 299 SER Chi-restraints excluded: chain F residue 319 THR Chi-restraints excluded: chain F residue 322 ARG Chi-restraints excluded: chain F residue 323 ARG Chi-restraints excluded: chain F residue 324 LEU Chi-restraints excluded: chain F residue 327 ILE Chi-restraints excluded: chain F residue 330 SER Chi-restraints excluded: chain F residue 331 ILE Chi-restraints excluded: chain F residue 333 ASP Chi-restraints excluded: chain F residue 338 TRP Chi-restraints excluded: chain F residue 339 ASP Chi-restraints excluded: chain F residue 342 LYS Chi-restraints excluded: chain F residue 349 LEU Chi-restraints excluded: chain F residue 351 THR Chi-restraints excluded: chain F residue 352 ILE Chi-restraints excluded: chain F residue 353 ILE Chi-restraints excluded: chain F residue 365 TYR Chi-restraints excluded: chain F residue 367 LYS Chi-restraints excluded: chain F residue 370 ASP Chi-restraints excluded: chain F residue 373 SER Chi-restraints excluded: chain F residue 378 SER Chi-restraints excluded: chain F residue 381 ILE Chi-restraints excluded: chain F residue 383 THR Chi-restraints excluded: chain F residue 384 ILE Chi-restraints excluded: chain F residue 385 LEU Chi-restraints excluded: chain F residue 398 VAL Chi-restraints excluded: chain F residue 406 HIS Chi-restraints excluded: chain F residue 407 LYS Chi-restraints excluded: chain F residue 408 TYR Chi-restraints excluded: chain F residue 413 LYS Chi-restraints excluded: chain F residue 419 THR Chi-restraints excluded: chain F residue 421 SER Chi-restraints excluded: chain F residue 431 VAL Chi-restraints excluded: chain F residue 452 THR Chi-restraints excluded: chain F residue 456 ASP Chi-restraints excluded: chain F residue 457 ASP Chi-restraints excluded: chain F residue 462 TYR Chi-restraints excluded: chain F residue 471 ILE Chi-restraints excluded: chain F residue 478 ILE Chi-restraints excluded: chain F residue 479 GLU Chi-restraints excluded: chain F residue 480 HIS Chi-restraints excluded: chain F residue 489 MET Chi-restraints excluded: chain F residue 490 VAL Chi-restraints excluded: chain F residue 497 LEU Chi-restraints excluded: chain F residue 501 ILE Chi-restraints excluded: chain F residue 528 ILE Chi-restraints excluded: chain F residue 536 GLU Chi-restraints excluded: chain F residue 539 VAL Chi-restraints excluded: chain F residue 544 ASP Chi-restraints excluded: chain F residue 564 ILE Chi-restraints excluded: chain F residue 570 ASP Chi-restraints excluded: chain F residue 573 ILE Chi-restraints excluded: chain F residue 576 GLU Chi-restraints excluded: chain F residue 583 ARG Chi-restraints excluded: chain G residue 11 GLN Chi-restraints excluded: chain G residue 12 TYR Chi-restraints excluded: chain G residue 13 LYS Chi-restraints excluded: chain G residue 19 PHE Chi-restraints excluded: chain G residue 25 ASP Chi-restraints excluded: chain G residue 26 ASN Chi-restraints excluded: chain G residue 32 VAL Chi-restraints excluded: chain G residue 33 GLN Chi-restraints excluded: chain G residue 34 ASP Chi-restraints excluded: chain G residue 35 MET Chi-restraints excluded: chain G residue 38 SER Chi-restraints excluded: chain G residue 39 ILE Chi-restraints excluded: chain G residue 41 SER Chi-restraints excluded: chain G residue 44 GLU Chi-restraints excluded: chain G residue 50 MET Chi-restraints excluded: chain G residue 51 SER Chi-restraints excluded: chain G residue 58 THR Chi-restraints excluded: chain G residue 65 LEU Chi-restraints excluded: chain G residue 66 LEU Chi-restraints excluded: chain G residue 70 GLU Chi-restraints excluded: chain G residue 77 VAL Chi-restraints excluded: chain G residue 80 VAL Chi-restraints excluded: chain G residue 81 LEU Chi-restraints excluded: chain G residue 82 ARG Chi-restraints excluded: chain G residue 83 ILE Chi-restraints excluded: chain G residue 85 TYR Chi-restraints excluded: chain G residue 92 ILE Chi-restraints excluded: chain G residue 94 THR Chi-restraints excluded: chain G residue 97 ARG Chi-restraints excluded: chain G residue 100 SER Chi-restraints excluded: chain G residue 103 THR Chi-restraints excluded: chain G residue 107 ILE Chi-restraints excluded: chain G residue 110 ARG Chi-restraints excluded: chain G residue 127 ARG Chi-restraints excluded: chain G residue 131 TYR Chi-restraints excluded: chain G residue 135 ARG Chi-restraints excluded: chain G residue 139 LEU Chi-restraints excluded: chain G residue 141 LEU Chi-restraints excluded: chain G residue 150 ASP Chi-restraints excluded: chain G residue 153 LEU Chi-restraints excluded: chain G residue 157 LYS Chi-restraints excluded: chain G residue 158 THR Chi-restraints excluded: chain G residue 160 VAL Chi-restraints excluded: chain G residue 166 LEU Chi-restraints excluded: chain G residue 188 SER Chi-restraints excluded: chain G residue 191 THR Chi-restraints excluded: chain G residue 192 VAL Chi-restraints excluded: chain G residue 204 ASP Chi-restraints excluded: chain G residue 208 THR Chi-restraints excluded: chain G residue 219 LEU Chi-restraints excluded: chain G residue 221 ILE Chi-restraints excluded: chain G residue 234 SER Chi-restraints excluded: chain G residue 239 ASN Chi-restraints excluded: chain G residue 241 LEU Chi-restraints excluded: chain G residue 246 ASN Chi-restraints excluded: chain G residue 249 ASN Chi-restraints excluded: chain G residue 258 LEU Chi-restraints excluded: chain G residue 262 ILE Chi-restraints excluded: chain G residue 266 THR Chi-restraints excluded: chain G residue 273 ASP Chi-restraints excluded: chain G residue 275 LEU Chi-restraints excluded: chain G residue 279 THR Chi-restraints excluded: chain G residue 280 THR Chi-restraints excluded: chain G residue 281 THR Chi-restraints excluded: chain G residue 284 SER Chi-restraints excluded: chain G residue 285 LEU Chi-restraints excluded: chain G residue 288 HIS Chi-restraints excluded: chain G residue 291 THR Chi-restraints excluded: chain G residue 292 LEU Chi-restraints excluded: chain G residue 293 THR Chi-restraints excluded: chain G residue 305 LEU Chi-restraints excluded: chain G residue 321 PRO Chi-restraints excluded: chain G residue 323 ARG Chi-restraints excluded: chain G residue 324 LEU Chi-restraints excluded: chain G residue 325 SER Chi-restraints excluded: chain G residue 326 ILE Chi-restraints excluded: chain G residue 327 ILE Chi-restraints excluded: chain G residue 329 GLU Chi-restraints excluded: chain G residue 331 ILE Chi-restraints excluded: chain G residue 333 ASP Chi-restraints excluded: chain G residue 338 TRP Chi-restraints excluded: chain G residue 339 ASP Chi-restraints excluded: chain G residue 342 LYS Chi-restraints excluded: chain G residue 351 THR Chi-restraints excluded: chain G residue 352 ILE Chi-restraints excluded: chain G residue 353 ILE Chi-restraints excluded: chain G residue 355 SER Chi-restraints excluded: chain G residue 359 VAL Chi-restraints excluded: chain G residue 365 TYR Chi-restraints excluded: chain G residue 367 LYS Chi-restraints excluded: chain G residue 370 ASP Chi-restraints excluded: chain G residue 371 ARG Chi-restraints excluded: chain G residue 373 SER Chi-restraints excluded: chain G residue 381 ILE Chi-restraints excluded: chain G residue 383 THR Chi-restraints excluded: chain G residue 384 ILE Chi-restraints excluded: chain G residue 385 LEU Chi-restraints excluded: chain G residue 387 SER Chi-restraints excluded: chain G residue 389 ILE Chi-restraints excluded: chain G residue 397 ASP Chi-restraints excluded: chain G residue 406 HIS Chi-restraints excluded: chain G residue 407 LYS Chi-restraints excluded: chain G residue 408 TYR Chi-restraints excluded: chain G residue 413 LYS Chi-restraints excluded: chain G residue 425 ILE Chi-restraints excluded: chain G residue 431 VAL Chi-restraints excluded: chain G residue 451 LYS Chi-restraints excluded: chain G residue 452 THR Chi-restraints excluded: chain G residue 456 ASP Chi-restraints excluded: chain G residue 457 ASP Chi-restraints excluded: chain G residue 462 TYR Chi-restraints excluded: chain G residue 463 LEU Chi-restraints excluded: chain G residue 471 ILE Chi-restraints excluded: chain G residue 478 ILE Chi-restraints excluded: chain G residue 479 GLU Chi-restraints excluded: chain G residue 480 HIS Chi-restraints excluded: chain G residue 485 THR Chi-restraints excluded: chain G residue 487 PHE Chi-restraints excluded: chain G residue 494 PHE Chi-restraints excluded: chain G residue 496 PHE Chi-restraints excluded: chain G residue 497 LEU Chi-restraints excluded: chain G residue 499 GLN Chi-restraints excluded: chain G residue 501 ILE Chi-restraints excluded: chain G residue 516 ASN Chi-restraints excluded: chain G residue 524 TYR Chi-restraints excluded: chain G residue 526 PRO Chi-restraints excluded: chain G residue 528 ILE Chi-restraints excluded: chain G residue 536 GLU Chi-restraints excluded: chain G residue 538 LEU Chi-restraints excluded: chain G residue 539 VAL Chi-restraints excluded: chain G residue 544 ASP Chi-restraints excluded: chain G residue 559 THR Chi-restraints excluded: chain G residue 564 ILE Chi-restraints excluded: chain G residue 576 GLU Chi-restraints excluded: chain G residue 580 GLN Chi-restraints excluded: chain G residue 582 GLN Chi-restraints excluded: chain H residue 11 GLN Chi-restraints excluded: chain H residue 12 TYR Chi-restraints excluded: chain H residue 13 LYS Chi-restraints excluded: chain H residue 19 PHE Chi-restraints excluded: chain H residue 25 ASP Chi-restraints excluded: chain H residue 32 VAL Chi-restraints excluded: chain H residue 33 GLN Chi-restraints excluded: chain H residue 34 ASP Chi-restraints excluded: chain H residue 38 SER Chi-restraints excluded: chain H residue 39 ILE Chi-restraints excluded: chain H residue 40 LEU Chi-restraints excluded: chain H residue 41 SER Chi-restraints excluded: chain H residue 46 ASP Chi-restraints excluded: chain H residue 51 SER Chi-restraints excluded: chain H residue 58 THR Chi-restraints excluded: chain H residue 77 VAL Chi-restraints excluded: chain H residue 80 VAL Chi-restraints excluded: chain H residue 81 LEU Chi-restraints excluded: chain H residue 82 ARG Chi-restraints excluded: chain H residue 92 ILE Chi-restraints excluded: chain H residue 93 LYS Chi-restraints excluded: chain H residue 97 ARG Chi-restraints excluded: chain H residue 100 SER Chi-restraints excluded: chain H residue 101 MET Chi-restraints excluded: chain H residue 107 ILE Chi-restraints excluded: chain H residue 110 ARG Chi-restraints excluded: chain H residue 116 ASP Chi-restraints excluded: chain H residue 124 ASN Chi-restraints excluded: chain H residue 127 ARG Chi-restraints excluded: chain H residue 131 TYR Chi-restraints excluded: chain H residue 133 LYS Chi-restraints excluded: chain H residue 135 ARG Chi-restraints excluded: chain H residue 141 LEU Chi-restraints excluded: chain H residue 153 LEU Chi-restraints excluded: chain H residue 157 LYS Chi-restraints excluded: chain H residue 158 THR Chi-restraints excluded: chain H residue 162 LEU Chi-restraints excluded: chain H residue 164 VAL Chi-restraints excluded: chain H residue 166 LEU Chi-restraints excluded: chain H residue 173 LYS Chi-restraints excluded: chain H residue 179 PHE Chi-restraints excluded: chain H residue 188 SER Chi-restraints excluded: chain H residue 193 LEU Chi-restraints excluded: chain H residue 199 LEU Chi-restraints excluded: chain H residue 203 ILE Chi-restraints excluded: chain H residue 204 ASP Chi-restraints excluded: chain H residue 208 THR Chi-restraints excluded: chain H residue 210 ARG Chi-restraints excluded: chain H residue 211 SER Chi-restraints excluded: chain H residue 217 ILE Chi-restraints excluded: chain H residue 218 LYS Chi-restraints excluded: chain H residue 219 LEU Chi-restraints excluded: chain H residue 221 ILE Chi-restraints excluded: chain H residue 236 PRO Chi-restraints excluded: chain H residue 239 ASN Chi-restraints excluded: chain H residue 242 LEU Chi-restraints excluded: chain H residue 245 LEU Chi-restraints excluded: chain H residue 249 ASN Chi-restraints excluded: chain H residue 251 LYS Chi-restraints excluded: chain H residue 254 ASN Chi-restraints excluded: chain H residue 256 PHE Chi-restraints excluded: chain H residue 258 LEU Chi-restraints excluded: chain H residue 266 THR Chi-restraints excluded: chain H residue 267 ARG Chi-restraints excluded: chain H residue 271 VAL Chi-restraints excluded: chain H residue 273 ASP Chi-restraints excluded: chain H residue 280 THR Chi-restraints excluded: chain H residue 281 THR Chi-restraints excluded: chain H residue 284 SER Chi-restraints excluded: chain H residue 285 LEU Chi-restraints excluded: chain H residue 288 HIS Chi-restraints excluded: chain H residue 290 MET Chi-restraints excluded: chain H residue 292 LEU Chi-restraints excluded: chain H residue 293 THR Chi-restraints excluded: chain H residue 297 VAL Chi-restraints excluded: chain H residue 299 SER Chi-restraints excluded: chain H residue 306 ASP Chi-restraints excluded: chain H residue 319 THR Chi-restraints excluded: chain H residue 322 ARG Chi-restraints excluded: chain H residue 323 ARG Chi-restraints excluded: chain H residue 324 LEU Chi-restraints excluded: chain H residue 327 ILE Chi-restraints excluded: chain H residue 330 SER Chi-restraints excluded: chain H residue 331 ILE Chi-restraints excluded: chain H residue 333 ASP Chi-restraints excluded: chain H residue 338 TRP Chi-restraints excluded: chain H residue 339 ASP Chi-restraints excluded: chain H residue 342 LYS Chi-restraints excluded: chain H residue 349 LEU Chi-restraints excluded: chain H residue 351 THR Chi-restraints excluded: chain H residue 352 ILE Chi-restraints excluded: chain H residue 353 ILE Chi-restraints excluded: chain H residue 365 TYR Chi-restraints excluded: chain H residue 367 LYS Chi-restraints excluded: chain H residue 370 ASP Chi-restraints excluded: chain H residue 373 SER Chi-restraints excluded: chain H residue 378 SER Chi-restraints excluded: chain H residue 381 ILE Chi-restraints excluded: chain H residue 383 THR Chi-restraints excluded: chain H residue 384 ILE Chi-restraints excluded: chain H residue 385 LEU Chi-restraints excluded: chain H residue 398 VAL Chi-restraints excluded: chain H residue 406 HIS Chi-restraints excluded: chain H residue 407 LYS Chi-restraints excluded: chain H residue 408 TYR Chi-restraints excluded: chain H residue 413 LYS Chi-restraints excluded: chain H residue 419 THR Chi-restraints excluded: chain H residue 421 SER Chi-restraints excluded: chain H residue 431 VAL Chi-restraints excluded: chain H residue 446 HIS Chi-restraints excluded: chain H residue 452 THR Chi-restraints excluded: chain H residue 456 ASP Chi-restraints excluded: chain H residue 457 ASP Chi-restraints excluded: chain H residue 462 TYR Chi-restraints excluded: chain H residue 471 ILE Chi-restraints excluded: chain H residue 478 ILE Chi-restraints excluded: chain H residue 479 GLU Chi-restraints excluded: chain H residue 480 HIS Chi-restraints excluded: chain H residue 489 MET Chi-restraints excluded: chain H residue 490 VAL Chi-restraints excluded: chain H residue 497 LEU Chi-restraints excluded: chain H residue 501 ILE Chi-restraints excluded: chain H residue 528 ILE Chi-restraints excluded: chain H residue 536 GLU Chi-restraints excluded: chain H residue 539 VAL Chi-restraints excluded: chain H residue 544 ASP Chi-restraints excluded: chain H residue 564 ILE Chi-restraints excluded: chain H residue 570 ASP Chi-restraints excluded: chain H residue 573 ILE Chi-restraints excluded: chain H residue 576 GLU Chi-restraints excluded: chain H residue 583 ARG Chi-restraints excluded: chain I residue 11 GLN Chi-restraints excluded: chain I residue 12 TYR Chi-restraints excluded: chain I residue 13 LYS Chi-restraints excluded: chain I residue 19 PHE Chi-restraints excluded: chain I residue 24 VAL Chi-restraints excluded: chain I residue 25 ASP Chi-restraints excluded: chain I residue 26 ASN Chi-restraints excluded: chain I residue 32 VAL Chi-restraints excluded: chain I residue 33 GLN Chi-restraints excluded: chain I residue 34 ASP Chi-restraints excluded: chain I residue 35 MET Chi-restraints excluded: chain I residue 38 SER Chi-restraints excluded: chain I residue 39 ILE Chi-restraints excluded: chain I residue 41 SER Chi-restraints excluded: chain I residue 44 GLU Chi-restraints excluded: chain I residue 50 MET Chi-restraints excluded: chain I residue 51 SER Chi-restraints excluded: chain I residue 58 THR Chi-restraints excluded: chain I residue 65 LEU Chi-restraints excluded: chain I residue 66 LEU Chi-restraints excluded: chain I residue 70 GLU Chi-restraints excluded: chain I residue 72 MET Chi-restraints excluded: chain I residue 77 VAL Chi-restraints excluded: chain I residue 80 VAL Chi-restraints excluded: chain I residue 81 LEU Chi-restraints excluded: chain I residue 82 ARG Chi-restraints excluded: chain I residue 83 ILE Chi-restraints excluded: chain I residue 85 TYR Chi-restraints excluded: chain I residue 92 ILE Chi-restraints excluded: chain I residue 94 THR Chi-restraints excluded: chain I residue 97 ARG Chi-restraints excluded: chain I residue 100 SER Chi-restraints excluded: chain I residue 107 ILE Chi-restraints excluded: chain I residue 110 ARG Chi-restraints excluded: chain I residue 127 ARG Chi-restraints excluded: chain I residue 131 TYR Chi-restraints excluded: chain I residue 135 ARG Chi-restraints excluded: chain I residue 139 LEU Chi-restraints excluded: chain I residue 141 LEU Chi-restraints excluded: chain I residue 153 LEU Chi-restraints excluded: chain I residue 157 LYS Chi-restraints excluded: chain I residue 158 THR Chi-restraints excluded: chain I residue 160 VAL Chi-restraints excluded: chain I residue 166 LEU Chi-restraints excluded: chain I residue 167 SER Chi-restraints excluded: chain I residue 188 SER Chi-restraints excluded: chain I residue 191 THR Chi-restraints excluded: chain I residue 192 VAL Chi-restraints excluded: chain I residue 199 LEU Chi-restraints excluded: chain I residue 204 ASP Chi-restraints excluded: chain I residue 208 THR Chi-restraints excluded: chain I residue 219 LEU Chi-restraints excluded: chain I residue 221 ILE Chi-restraints excluded: chain I residue 225 GLN Chi-restraints excluded: chain I residue 234 SER Chi-restraints excluded: chain I residue 239 ASN Chi-restraints excluded: chain I residue 246 ASN Chi-restraints excluded: chain I residue 249 ASN Chi-restraints excluded: chain I residue 258 LEU Chi-restraints excluded: chain I residue 262 ILE Chi-restraints excluded: chain I residue 266 THR Chi-restraints excluded: chain I residue 273 ASP Chi-restraints excluded: chain I residue 275 LEU Chi-restraints excluded: chain I residue 279 THR Chi-restraints excluded: chain I residue 280 THR Chi-restraints excluded: chain I residue 281 THR Chi-restraints excluded: chain I residue 284 SER Chi-restraints excluded: chain I residue 285 LEU Chi-restraints excluded: chain I residue 288 HIS Chi-restraints excluded: chain I residue 291 THR Chi-restraints excluded: chain I residue 292 LEU Chi-restraints excluded: chain I residue 293 THR Chi-restraints excluded: chain I residue 305 LEU Chi-restraints excluded: chain I residue 321 PRO Chi-restraints excluded: chain I residue 323 ARG Chi-restraints excluded: chain I residue 324 LEU Chi-restraints excluded: chain I residue 325 SER Chi-restraints excluded: chain I residue 326 ILE Chi-restraints excluded: chain I residue 327 ILE Chi-restraints excluded: chain I residue 329 GLU Chi-restraints excluded: chain I residue 331 ILE Chi-restraints excluded: chain I residue 333 ASP Chi-restraints excluded: chain I residue 338 TRP Chi-restraints excluded: chain I residue 339 ASP Chi-restraints excluded: chain I residue 342 LYS Chi-restraints excluded: chain I residue 349 LEU Chi-restraints excluded: chain I residue 351 THR Chi-restraints excluded: chain I residue 352 ILE Chi-restraints excluded: chain I residue 353 ILE Chi-restraints excluded: chain I residue 359 VAL Chi-restraints excluded: chain I residue 365 TYR Chi-restraints excluded: chain I residue 367 LYS Chi-restraints excluded: chain I residue 370 ASP Chi-restraints excluded: chain I residue 371 ARG Chi-restraints excluded: chain I residue 373 SER Chi-restraints excluded: chain I residue 381 ILE Chi-restraints excluded: chain I residue 383 THR Chi-restraints excluded: chain I residue 384 ILE Chi-restraints excluded: chain I residue 385 LEU Chi-restraints excluded: chain I residue 387 SER Chi-restraints excluded: chain I residue 389 ILE Chi-restraints excluded: chain I residue 397 ASP Chi-restraints excluded: chain I residue 406 HIS Chi-restraints excluded: chain I residue 407 LYS Chi-restraints excluded: chain I residue 408 TYR Chi-restraints excluded: chain I residue 413 LYS Chi-restraints excluded: chain I residue 425 ILE Chi-restraints excluded: chain I residue 431 VAL Chi-restraints excluded: chain I residue 451 LYS Chi-restraints excluded: chain I residue 452 THR Chi-restraints excluded: chain I residue 456 ASP Chi-restraints excluded: chain I residue 457 ASP Chi-restraints excluded: chain I residue 462 TYR Chi-restraints excluded: chain I residue 463 LEU Chi-restraints excluded: chain I residue 471 ILE Chi-restraints excluded: chain I residue 478 ILE Chi-restraints excluded: chain I residue 479 GLU Chi-restraints excluded: chain I residue 480 HIS Chi-restraints excluded: chain I residue 485 THR Chi-restraints excluded: chain I residue 487 PHE Chi-restraints excluded: chain I residue 494 PHE Chi-restraints excluded: chain I residue 496 PHE Chi-restraints excluded: chain I residue 497 LEU Chi-restraints excluded: chain I residue 499 GLN Chi-restraints excluded: chain I residue 501 ILE Chi-restraints excluded: chain I residue 516 ASN Chi-restraints excluded: chain I residue 524 TYR Chi-restraints excluded: chain I residue 526 PRO Chi-restraints excluded: chain I residue 528 ILE Chi-restraints excluded: chain I residue 536 GLU Chi-restraints excluded: chain I residue 539 VAL Chi-restraints excluded: chain I residue 544 ASP Chi-restraints excluded: chain I residue 559 THR Chi-restraints excluded: chain I residue 564 ILE Chi-restraints excluded: chain I residue 576 GLU Chi-restraints excluded: chain I residue 580 GLN Chi-restraints excluded: chain I residue 582 GLN Chi-restraints excluded: chain J residue 12 TYR Chi-restraints excluded: chain J residue 13 LYS Chi-restraints excluded: chain J residue 19 PHE Chi-restraints excluded: chain J residue 25 ASP Chi-restraints excluded: chain J residue 32 VAL Chi-restraints excluded: chain J residue 33 GLN Chi-restraints excluded: chain J residue 34 ASP Chi-restraints excluded: chain J residue 38 SER Chi-restraints excluded: chain J residue 39 ILE Chi-restraints excluded: chain J residue 40 LEU Chi-restraints excluded: chain J residue 41 SER Chi-restraints excluded: chain J residue 46 ASP Chi-restraints excluded: chain J residue 51 SER Chi-restraints excluded: chain J residue 58 THR Chi-restraints excluded: chain J residue 77 VAL Chi-restraints excluded: chain J residue 80 VAL Chi-restraints excluded: chain J residue 81 LEU Chi-restraints excluded: chain J residue 82 ARG Chi-restraints excluded: chain J residue 92 ILE Chi-restraints excluded: chain J residue 93 LYS Chi-restraints excluded: chain J residue 97 ARG Chi-restraints excluded: chain J residue 100 SER Chi-restraints excluded: chain J residue 101 MET Chi-restraints excluded: chain J residue 107 ILE Chi-restraints excluded: chain J residue 110 ARG Chi-restraints excluded: chain J residue 131 TYR Chi-restraints excluded: chain J residue 135 ARG Chi-restraints excluded: chain J residue 141 LEU Chi-restraints excluded: chain J residue 153 LEU Chi-restraints excluded: chain J residue 157 LYS Chi-restraints excluded: chain J residue 158 THR Chi-restraints excluded: chain J residue 160 VAL Chi-restraints excluded: chain J residue 162 LEU Chi-restraints excluded: chain J residue 164 VAL Chi-restraints excluded: chain J residue 166 LEU Chi-restraints excluded: chain J residue 173 LYS Chi-restraints excluded: chain J residue 193 LEU Chi-restraints excluded: chain J residue 199 LEU Chi-restraints excluded: chain J residue 203 ILE Chi-restraints excluded: chain J residue 204 ASP Chi-restraints excluded: chain J residue 208 THR Chi-restraints excluded: chain J residue 210 ARG Chi-restraints excluded: chain J residue 211 SER Chi-restraints excluded: chain J residue 217 ILE Chi-restraints excluded: chain J residue 218 LYS Chi-restraints excluded: chain J residue 219 LEU Chi-restraints excluded: chain J residue 221 ILE Chi-restraints excluded: chain J residue 236 PRO Chi-restraints excluded: chain J residue 239 ASN Chi-restraints excluded: chain J residue 242 LEU Chi-restraints excluded: chain J residue 245 LEU Chi-restraints excluded: chain J residue 249 ASN Chi-restraints excluded: chain J residue 254 ASN Chi-restraints excluded: chain J residue 256 PHE Chi-restraints excluded: chain J residue 258 LEU Chi-restraints excluded: chain J residue 266 THR Chi-restraints excluded: chain J residue 267 ARG Chi-restraints excluded: chain J residue 271 VAL Chi-restraints excluded: chain J residue 273 ASP Chi-restraints excluded: chain J residue 280 THR Chi-restraints excluded: chain J residue 281 THR Chi-restraints excluded: chain J residue 285 LEU Chi-restraints excluded: chain J residue 288 HIS Chi-restraints excluded: chain J residue 290 MET Chi-restraints excluded: chain J residue 292 LEU Chi-restraints excluded: chain J residue 293 THR Chi-restraints excluded: chain J residue 297 VAL Chi-restraints excluded: chain J residue 299 SER Chi-restraints excluded: chain J residue 319 THR Chi-restraints excluded: chain J residue 322 ARG Chi-restraints excluded: chain J residue 323 ARG Chi-restraints excluded: chain J residue 324 LEU Chi-restraints excluded: chain J residue 325 SER Chi-restraints excluded: chain J residue 327 ILE Chi-restraints excluded: chain J residue 330 SER Chi-restraints excluded: chain J residue 331 ILE Chi-restraints excluded: chain J residue 333 ASP Chi-restraints excluded: chain J residue 338 TRP Chi-restraints excluded: chain J residue 339 ASP Chi-restraints excluded: chain J residue 342 LYS Chi-restraints excluded: chain J residue 349 LEU Chi-restraints excluded: chain J residue 351 THR Chi-restraints excluded: chain J residue 352 ILE Chi-restraints excluded: chain J residue 353 ILE Chi-restraints excluded: chain J residue 365 TYR Chi-restraints excluded: chain J residue 367 LYS Chi-restraints excluded: chain J residue 370 ASP Chi-restraints excluded: chain J residue 373 SER Chi-restraints excluded: chain J residue 378 SER Chi-restraints excluded: chain J residue 381 ILE Chi-restraints excluded: chain J residue 383 THR Chi-restraints excluded: chain J residue 384 ILE Chi-restraints excluded: chain J residue 385 LEU Chi-restraints excluded: chain J residue 398 VAL Chi-restraints excluded: chain J residue 406 HIS Chi-restraints excluded: chain J residue 407 LYS Chi-restraints excluded: chain J residue 408 TYR Chi-restraints excluded: chain J residue 413 LYS Chi-restraints excluded: chain J residue 419 THR Chi-restraints excluded: chain J residue 421 SER Chi-restraints excluded: chain J residue 431 VAL Chi-restraints excluded: chain J residue 452 THR Chi-restraints excluded: chain J residue 456 ASP Chi-restraints excluded: chain J residue 457 ASP Chi-restraints excluded: chain J residue 462 TYR Chi-restraints excluded: chain J residue 471 ILE Chi-restraints excluded: chain J residue 478 ILE Chi-restraints excluded: chain J residue 479 GLU Chi-restraints excluded: chain J residue 480 HIS Chi-restraints excluded: chain J residue 489 MET Chi-restraints excluded: chain J residue 490 VAL Chi-restraints excluded: chain J residue 497 LEU Chi-restraints excluded: chain J residue 501 ILE Chi-restraints excluded: chain J residue 522 LYS Chi-restraints excluded: chain J residue 528 ILE Chi-restraints excluded: chain J residue 536 GLU Chi-restraints excluded: chain J residue 539 VAL Chi-restraints excluded: chain J residue 544 ASP Chi-restraints excluded: chain J residue 564 ILE Chi-restraints excluded: chain J residue 570 ASP Chi-restraints excluded: chain J residue 573 ILE Chi-restraints excluded: chain J residue 576 GLU Chi-restraints excluded: chain J residue 583 ARG Chi-restraints excluded: chain K residue 11 GLN Chi-restraints excluded: chain K residue 12 TYR Chi-restraints excluded: chain K residue 13 LYS Chi-restraints excluded: chain K residue 15 ILE Chi-restraints excluded: chain K residue 19 PHE Chi-restraints excluded: chain K residue 24 VAL Chi-restraints excluded: chain K residue 25 ASP Chi-restraints excluded: chain K residue 26 ASN Chi-restraints excluded: chain K residue 32 VAL Chi-restraints excluded: chain K residue 33 GLN Chi-restraints excluded: chain K residue 34 ASP Chi-restraints excluded: chain K residue 35 MET Chi-restraints excluded: chain K residue 38 SER Chi-restraints excluded: chain K residue 39 ILE Chi-restraints excluded: chain K residue 41 SER Chi-restraints excluded: chain K residue 44 GLU Chi-restraints excluded: chain K residue 50 MET Chi-restraints excluded: chain K residue 51 SER Chi-restraints excluded: chain K residue 58 THR Chi-restraints excluded: chain K residue 65 LEU Chi-restraints excluded: chain K residue 66 LEU Chi-restraints excluded: chain K residue 70 GLU Chi-restraints excluded: chain K residue 77 VAL Chi-restraints excluded: chain K residue 80 VAL Chi-restraints excluded: chain K residue 81 LEU Chi-restraints excluded: chain K residue 82 ARG Chi-restraints excluded: chain K residue 83 ILE Chi-restraints excluded: chain K residue 85 TYR Chi-restraints excluded: chain K residue 92 ILE Chi-restraints excluded: chain K residue 94 THR Chi-restraints excluded: chain K residue 97 ARG Chi-restraints excluded: chain K residue 100 SER Chi-restraints excluded: chain K residue 107 ILE Chi-restraints excluded: chain K residue 110 ARG Chi-restraints excluded: chain K residue 127 ARG Chi-restraints excluded: chain K residue 131 TYR Chi-restraints excluded: chain K residue 135 ARG Chi-restraints excluded: chain K residue 139 LEU Chi-restraints excluded: chain K residue 141 LEU Chi-restraints excluded: chain K residue 153 LEU Chi-restraints excluded: chain K residue 157 LYS Chi-restraints excluded: chain K residue 158 THR Chi-restraints excluded: chain K residue 160 VAL Chi-restraints excluded: chain K residue 166 LEU Chi-restraints excluded: chain K residue 167 SER Chi-restraints excluded: chain K residue 188 SER Chi-restraints excluded: chain K residue 191 THR Chi-restraints excluded: chain K residue 199 LEU Chi-restraints excluded: chain K residue 204 ASP Chi-restraints excluded: chain K residue 208 THR Chi-restraints excluded: chain K residue 219 LEU Chi-restraints excluded: chain K residue 221 ILE Chi-restraints excluded: chain K residue 225 GLN Chi-restraints excluded: chain K residue 234 SER Chi-restraints excluded: chain K residue 239 ASN Chi-restraints excluded: chain K residue 246 ASN Chi-restraints excluded: chain K residue 249 ASN Chi-restraints excluded: chain K residue 258 LEU Chi-restraints excluded: chain K residue 262 ILE Chi-restraints excluded: chain K residue 264 LEU Chi-restraints excluded: chain K residue 266 THR Chi-restraints excluded: chain K residue 273 ASP Chi-restraints excluded: chain K residue 275 LEU Chi-restraints excluded: chain K residue 279 THR Chi-restraints excluded: chain K residue 280 THR Chi-restraints excluded: chain K residue 281 THR Chi-restraints excluded: chain K residue 284 SER Chi-restraints excluded: chain K residue 285 LEU Chi-restraints excluded: chain K residue 288 HIS Chi-restraints excluded: chain K residue 291 THR Chi-restraints excluded: chain K residue 292 LEU Chi-restraints excluded: chain K residue 293 THR Chi-restraints excluded: chain K residue 305 LEU Chi-restraints excluded: chain K residue 321 PRO Chi-restraints excluded: chain K residue 323 ARG Chi-restraints excluded: chain K residue 324 LEU Chi-restraints excluded: chain K residue 325 SER Chi-restraints excluded: chain K residue 326 ILE Chi-restraints excluded: chain K residue 327 ILE Chi-restraints excluded: chain K residue 329 GLU Chi-restraints excluded: chain K residue 331 ILE Chi-restraints excluded: chain K residue 333 ASP Chi-restraints excluded: chain K residue 338 TRP Chi-restraints excluded: chain K residue 339 ASP Chi-restraints excluded: chain K residue 342 LYS Chi-restraints excluded: chain K residue 351 THR Chi-restraints excluded: chain K residue 352 ILE Chi-restraints excluded: chain K residue 353 ILE Chi-restraints excluded: chain K residue 355 SER Chi-restraints excluded: chain K residue 359 VAL Chi-restraints excluded: chain K residue 365 TYR Chi-restraints excluded: chain K residue 367 LYS Chi-restraints excluded: chain K residue 370 ASP Chi-restraints excluded: chain K residue 371 ARG Chi-restraints excluded: chain K residue 373 SER Chi-restraints excluded: chain K residue 381 ILE Chi-restraints excluded: chain K residue 383 THR Chi-restraints excluded: chain K residue 384 ILE Chi-restraints excluded: chain K residue 385 LEU Chi-restraints excluded: chain K residue 387 SER Chi-restraints excluded: chain K residue 389 ILE Chi-restraints excluded: chain K residue 397 ASP Chi-restraints excluded: chain K residue 406 HIS Chi-restraints excluded: chain K residue 407 LYS Chi-restraints excluded: chain K residue 408 TYR Chi-restraints excluded: chain K residue 413 LYS Chi-restraints excluded: chain K residue 425 ILE Chi-restraints excluded: chain K residue 431 VAL Chi-restraints excluded: chain K residue 451 LYS Chi-restraints excluded: chain K residue 452 THR Chi-restraints excluded: chain K residue 456 ASP Chi-restraints excluded: chain K residue 457 ASP Chi-restraints excluded: chain K residue 462 TYR Chi-restraints excluded: chain K residue 463 LEU Chi-restraints excluded: chain K residue 471 ILE Chi-restraints excluded: chain K residue 478 ILE Chi-restraints excluded: chain K residue 479 GLU Chi-restraints excluded: chain K residue 480 HIS Chi-restraints excluded: chain K residue 485 THR Chi-restraints excluded: chain K residue 487 PHE Chi-restraints excluded: chain K residue 494 PHE Chi-restraints excluded: chain K residue 496 PHE Chi-restraints excluded: chain K residue 497 LEU Chi-restraints excluded: chain K residue 499 GLN Chi-restraints excluded: chain K residue 501 ILE Chi-restraints excluded: chain K residue 516 ASN Chi-restraints excluded: chain K residue 524 TYR Chi-restraints excluded: chain K residue 526 PRO Chi-restraints excluded: chain K residue 528 ILE Chi-restraints excluded: chain K residue 536 GLU Chi-restraints excluded: chain K residue 538 LEU Chi-restraints excluded: chain K residue 539 VAL Chi-restraints excluded: chain K residue 544 ASP Chi-restraints excluded: chain K residue 559 THR Chi-restraints excluded: chain K residue 564 ILE Chi-restraints excluded: chain K residue 576 GLU Chi-restraints excluded: chain K residue 580 GLN Chi-restraints excluded: chain K residue 582 GLN Chi-restraints excluded: chain L residue 11 GLN Chi-restraints excluded: chain L residue 12 TYR Chi-restraints excluded: chain L residue 13 LYS Chi-restraints excluded: chain L residue 19 PHE Chi-restraints excluded: chain L residue 25 ASP Chi-restraints excluded: chain L residue 32 VAL Chi-restraints excluded: chain L residue 33 GLN Chi-restraints excluded: chain L residue 34 ASP Chi-restraints excluded: chain L residue 38 SER Chi-restraints excluded: chain L residue 39 ILE Chi-restraints excluded: chain L residue 40 LEU Chi-restraints excluded: chain L residue 41 SER Chi-restraints excluded: chain L residue 46 ASP Chi-restraints excluded: chain L residue 51 SER Chi-restraints excluded: chain L residue 58 THR Chi-restraints excluded: chain L residue 60 ARG Chi-restraints excluded: chain L residue 77 VAL Chi-restraints excluded: chain L residue 80 VAL Chi-restraints excluded: chain L residue 81 LEU Chi-restraints excluded: chain L residue 82 ARG Chi-restraints excluded: chain L residue 89 MET Chi-restraints excluded: chain L residue 93 LYS Chi-restraints excluded: chain L residue 97 ARG Chi-restraints excluded: chain L residue 100 SER Chi-restraints excluded: chain L residue 101 MET Chi-restraints excluded: chain L residue 107 ILE Chi-restraints excluded: chain L residue 110 ARG Chi-restraints excluded: chain L residue 116 ASP Chi-restraints excluded: chain L residue 127 ARG Chi-restraints excluded: chain L residue 131 TYR Chi-restraints excluded: chain L residue 135 ARG Chi-restraints excluded: chain L residue 141 LEU Chi-restraints excluded: chain L residue 157 LYS Chi-restraints excluded: chain L residue 158 THR Chi-restraints excluded: chain L residue 160 VAL Chi-restraints excluded: chain L residue 162 LEU Chi-restraints excluded: chain L residue 164 VAL Chi-restraints excluded: chain L residue 166 LEU Chi-restraints excluded: chain L residue 173 LYS Chi-restraints excluded: chain L residue 177 LYS Chi-restraints excluded: chain L residue 179 PHE Chi-restraints excluded: chain L residue 193 LEU Chi-restraints excluded: chain L residue 199 LEU Chi-restraints excluded: chain L residue 203 ILE Chi-restraints excluded: chain L residue 204 ASP Chi-restraints excluded: chain L residue 208 THR Chi-restraints excluded: chain L residue 210 ARG Chi-restraints excluded: chain L residue 211 SER Chi-restraints excluded: chain L residue 217 ILE Chi-restraints excluded: chain L residue 218 LYS Chi-restraints excluded: chain L residue 219 LEU Chi-restraints excluded: chain L residue 221 ILE Chi-restraints excluded: chain L residue 236 PRO Chi-restraints excluded: chain L residue 239 ASN Chi-restraints excluded: chain L residue 242 LEU Chi-restraints excluded: chain L residue 245 LEU Chi-restraints excluded: chain L residue 249 ASN Chi-restraints excluded: chain L residue 254 ASN Chi-restraints excluded: chain L residue 256 PHE Chi-restraints excluded: chain L residue 258 LEU Chi-restraints excluded: chain L residue 266 THR Chi-restraints excluded: chain L residue 267 ARG Chi-restraints excluded: chain L residue 271 VAL Chi-restraints excluded: chain L residue 273 ASP Chi-restraints excluded: chain L residue 280 THR Chi-restraints excluded: chain L residue 281 THR Chi-restraints excluded: chain L residue 285 LEU Chi-restraints excluded: chain L residue 288 HIS Chi-restraints excluded: chain L residue 290 MET Chi-restraints excluded: chain L residue 292 LEU Chi-restraints excluded: chain L residue 293 THR Chi-restraints excluded: chain L residue 297 VAL Chi-restraints excluded: chain L residue 299 SER Chi-restraints excluded: chain L residue 306 ASP Chi-restraints excluded: chain L residue 319 THR Chi-restraints excluded: chain L residue 322 ARG Chi-restraints excluded: chain L residue 323 ARG Chi-restraints excluded: chain L residue 324 LEU Chi-restraints excluded: chain L residue 325 SER Chi-restraints excluded: chain L residue 327 ILE Chi-restraints excluded: chain L residue 330 SER Chi-restraints excluded: chain L residue 331 ILE Chi-restraints excluded: chain L residue 333 ASP Chi-restraints excluded: chain L residue 338 TRP Chi-restraints excluded: chain L residue 339 ASP Chi-restraints excluded: chain L residue 342 LYS Chi-restraints excluded: chain L residue 349 LEU Chi-restraints excluded: chain L residue 351 THR Chi-restraints excluded: chain L residue 352 ILE Chi-restraints excluded: chain L residue 353 ILE Chi-restraints excluded: chain L residue 365 TYR Chi-restraints excluded: chain L residue 367 LYS Chi-restraints excluded: chain L residue 370 ASP Chi-restraints excluded: chain L residue 373 SER Chi-restraints excluded: chain L residue 378 SER Chi-restraints excluded: chain L residue 381 ILE Chi-restraints excluded: chain L residue 383 THR Chi-restraints excluded: chain L residue 384 ILE Chi-restraints excluded: chain L residue 385 LEU Chi-restraints excluded: chain L residue 398 VAL Chi-restraints excluded: chain L residue 406 HIS Chi-restraints excluded: chain L residue 407 LYS Chi-restraints excluded: chain L residue 408 TYR Chi-restraints excluded: chain L residue 413 LYS Chi-restraints excluded: chain L residue 419 THR Chi-restraints excluded: chain L residue 421 SER Chi-restraints excluded: chain L residue 431 VAL Chi-restraints excluded: chain L residue 452 THR Chi-restraints excluded: chain L residue 456 ASP Chi-restraints excluded: chain L residue 457 ASP Chi-restraints excluded: chain L residue 462 TYR Chi-restraints excluded: chain L residue 471 ILE Chi-restraints excluded: chain L residue 478 ILE Chi-restraints excluded: chain L residue 479 GLU Chi-restraints excluded: chain L residue 480 HIS Chi-restraints excluded: chain L residue 489 MET Chi-restraints excluded: chain L residue 490 VAL Chi-restraints excluded: chain L residue 497 LEU Chi-restraints excluded: chain L residue 501 ILE Chi-restraints excluded: chain L residue 528 ILE Chi-restraints excluded: chain L residue 536 GLU Chi-restraints excluded: chain L residue 539 VAL Chi-restraints excluded: chain L residue 544 ASP Chi-restraints excluded: chain L residue 564 ILE Chi-restraints excluded: chain L residue 570 ASP Chi-restraints excluded: chain L residue 573 ILE Chi-restraints excluded: chain L residue 576 GLU Chi-restraints excluded: chain L residue 583 ARG Chi-restraints excluded: chain M residue 11 GLN Chi-restraints excluded: chain M residue 12 TYR Chi-restraints excluded: chain M residue 13 LYS Chi-restraints excluded: chain M residue 19 PHE Chi-restraints excluded: chain M residue 25 ASP Chi-restraints excluded: chain M residue 26 ASN Chi-restraints excluded: chain M residue 32 VAL Chi-restraints excluded: chain M residue 33 GLN Chi-restraints excluded: chain M residue 34 ASP Chi-restraints excluded: chain M residue 35 MET Chi-restraints excluded: chain M residue 38 SER Chi-restraints excluded: chain M residue 39 ILE Chi-restraints excluded: chain M residue 41 SER Chi-restraints excluded: chain M residue 44 GLU Chi-restraints excluded: chain M residue 50 MET Chi-restraints excluded: chain M residue 51 SER Chi-restraints excluded: chain M residue 58 THR Chi-restraints excluded: chain M residue 65 LEU Chi-restraints excluded: chain M residue 66 LEU Chi-restraints excluded: chain M residue 77 VAL Chi-restraints excluded: chain M residue 80 VAL Chi-restraints excluded: chain M residue 81 LEU Chi-restraints excluded: chain M residue 82 ARG Chi-restraints excluded: chain M residue 83 ILE Chi-restraints excluded: chain M residue 85 TYR Chi-restraints excluded: chain M residue 92 ILE Chi-restraints excluded: chain M residue 94 THR Chi-restraints excluded: chain M residue 97 ARG Chi-restraints excluded: chain M residue 100 SER Chi-restraints excluded: chain M residue 107 ILE Chi-restraints excluded: chain M residue 110 ARG Chi-restraints excluded: chain M residue 131 TYR Chi-restraints excluded: chain M residue 135 ARG Chi-restraints excluded: chain M residue 139 LEU Chi-restraints excluded: chain M residue 141 LEU Chi-restraints excluded: chain M residue 153 LEU Chi-restraints excluded: chain M residue 157 LYS Chi-restraints excluded: chain M residue 158 THR Chi-restraints excluded: chain M residue 160 VAL Chi-restraints excluded: chain M residue 166 LEU Chi-restraints excluded: chain M residue 167 SER Chi-restraints excluded: chain M residue 188 SER Chi-restraints excluded: chain M residue 191 THR Chi-restraints excluded: chain M residue 192 VAL Chi-restraints excluded: chain M residue 199 LEU Chi-restraints excluded: chain M residue 204 ASP Chi-restraints excluded: chain M residue 208 THR Chi-restraints excluded: chain M residue 219 LEU Chi-restraints excluded: chain M residue 221 ILE Chi-restraints excluded: chain M residue 234 SER Chi-restraints excluded: chain M residue 239 ASN Chi-restraints excluded: chain M residue 241 LEU Chi-restraints excluded: chain M residue 246 ASN Chi-restraints excluded: chain M residue 249 ASN Chi-restraints excluded: chain M residue 258 LEU Chi-restraints excluded: chain M residue 262 ILE Chi-restraints excluded: chain M residue 266 THR Chi-restraints excluded: chain M residue 273 ASP Chi-restraints excluded: chain M residue 275 LEU Chi-restraints excluded: chain M residue 279 THR Chi-restraints excluded: chain M residue 280 THR Chi-restraints excluded: chain M residue 281 THR Chi-restraints excluded: chain M residue 284 SER Chi-restraints excluded: chain M residue 285 LEU Chi-restraints excluded: chain M residue 288 HIS Chi-restraints excluded: chain M residue 291 THR Chi-restraints excluded: chain M residue 292 LEU Chi-restraints excluded: chain M residue 293 THR Chi-restraints excluded: chain M residue 305 LEU Chi-restraints excluded: chain M residue 321 PRO Chi-restraints excluded: chain M residue 323 ARG Chi-restraints excluded: chain M residue 324 LEU Chi-restraints excluded: chain M residue 325 SER Chi-restraints excluded: chain M residue 326 ILE Chi-restraints excluded: chain M residue 327 ILE Chi-restraints excluded: chain M residue 329 GLU Chi-restraints excluded: chain M residue 331 ILE Chi-restraints excluded: chain M residue 333 ASP Chi-restraints excluded: chain M residue 338 TRP Chi-restraints excluded: chain M residue 339 ASP Chi-restraints excluded: chain M residue 342 LYS Chi-restraints excluded: chain M residue 349 LEU Chi-restraints excluded: chain M residue 351 THR Chi-restraints excluded: chain M residue 352 ILE Chi-restraints excluded: chain M residue 353 ILE Chi-restraints excluded: chain M residue 359 VAL Chi-restraints excluded: chain M residue 365 TYR Chi-restraints excluded: chain M residue 367 LYS Chi-restraints excluded: chain M residue 370 ASP Chi-restraints excluded: chain M residue 371 ARG Chi-restraints excluded: chain M residue 373 SER Chi-restraints excluded: chain M residue 381 ILE Chi-restraints excluded: chain M residue 383 THR Chi-restraints excluded: chain M residue 384 ILE Chi-restraints excluded: chain M residue 385 LEU Chi-restraints excluded: chain M residue 387 SER Chi-restraints excluded: chain M residue 389 ILE Chi-restraints excluded: chain M residue 397 ASP Chi-restraints excluded: chain M residue 406 HIS Chi-restraints excluded: chain M residue 407 LYS Chi-restraints excluded: chain M residue 408 TYR Chi-restraints excluded: chain M residue 413 LYS Chi-restraints excluded: chain M residue 425 ILE Chi-restraints excluded: chain M residue 431 VAL Chi-restraints excluded: chain M residue 451 LYS Chi-restraints excluded: chain M residue 452 THR Chi-restraints excluded: chain M residue 456 ASP Chi-restraints excluded: chain M residue 457 ASP Chi-restraints excluded: chain M residue 462 TYR Chi-restraints excluded: chain M residue 463 LEU Chi-restraints excluded: chain M residue 471 ILE Chi-restraints excluded: chain M residue 478 ILE Chi-restraints excluded: chain M residue 479 GLU Chi-restraints excluded: chain M residue 480 HIS Chi-restraints excluded: chain M residue 485 THR Chi-restraints excluded: chain M residue 487 PHE Chi-restraints excluded: chain M residue 494 PHE Chi-restraints excluded: chain M residue 496 PHE Chi-restraints excluded: chain M residue 497 LEU Chi-restraints excluded: chain M residue 499 GLN Chi-restraints excluded: chain M residue 501 ILE Chi-restraints excluded: chain M residue 516 ASN Chi-restraints excluded: chain M residue 524 TYR Chi-restraints excluded: chain M residue 526 PRO Chi-restraints excluded: chain M residue 528 ILE Chi-restraints excluded: chain M residue 536 GLU Chi-restraints excluded: chain M residue 538 LEU Chi-restraints excluded: chain M residue 539 VAL Chi-restraints excluded: chain M residue 544 ASP Chi-restraints excluded: chain M residue 559 THR Chi-restraints excluded: chain M residue 564 ILE Chi-restraints excluded: chain M residue 576 GLU Chi-restraints excluded: chain M residue 580 GLN Chi-restraints excluded: chain M residue 582 GLN Chi-restraints excluded: chain N residue 12 TYR Chi-restraints excluded: chain N residue 13 LYS Chi-restraints excluded: chain N residue 19 PHE Chi-restraints excluded: chain N residue 25 ASP Chi-restraints excluded: chain N residue 32 VAL Chi-restraints excluded: chain N residue 33 GLN Chi-restraints excluded: chain N residue 34 ASP Chi-restraints excluded: chain N residue 38 SER Chi-restraints excluded: chain N residue 39 ILE Chi-restraints excluded: chain N residue 40 LEU Chi-restraints excluded: chain N residue 41 SER Chi-restraints excluded: chain N residue 46 ASP Chi-restraints excluded: chain N residue 51 SER Chi-restraints excluded: chain N residue 58 THR Chi-restraints excluded: chain N residue 60 ARG Chi-restraints excluded: chain N residue 77 VAL Chi-restraints excluded: chain N residue 80 VAL Chi-restraints excluded: chain N residue 82 ARG Chi-restraints excluded: chain N residue 89 MET Chi-restraints excluded: chain N residue 92 ILE Chi-restraints excluded: chain N residue 93 LYS Chi-restraints excluded: chain N residue 97 ARG Chi-restraints excluded: chain N residue 100 SER Chi-restraints excluded: chain N residue 101 MET Chi-restraints excluded: chain N residue 107 ILE Chi-restraints excluded: chain N residue 110 ARG Chi-restraints excluded: chain N residue 116 ASP Chi-restraints excluded: chain N residue 127 ARG Chi-restraints excluded: chain N residue 131 TYR Chi-restraints excluded: chain N residue 133 LYS Chi-restraints excluded: chain N residue 135 ARG Chi-restraints excluded: chain N residue 141 LEU Chi-restraints excluded: chain N residue 157 LYS Chi-restraints excluded: chain N residue 158 THR Chi-restraints excluded: chain N residue 160 VAL Chi-restraints excluded: chain N residue 162 LEU Chi-restraints excluded: chain N residue 164 VAL Chi-restraints excluded: chain N residue 166 LEU Chi-restraints excluded: chain N residue 173 LYS Chi-restraints excluded: chain N residue 177 LYS Chi-restraints excluded: chain N residue 179 PHE Chi-restraints excluded: chain N residue 188 SER Chi-restraints excluded: chain N residue 193 LEU Chi-restraints excluded: chain N residue 199 LEU Chi-restraints excluded: chain N residue 203 ILE Chi-restraints excluded: chain N residue 204 ASP Chi-restraints excluded: chain N residue 208 THR Chi-restraints excluded: chain N residue 210 ARG Chi-restraints excluded: chain N residue 211 SER Chi-restraints excluded: chain N residue 217 ILE Chi-restraints excluded: chain N residue 218 LYS Chi-restraints excluded: chain N residue 219 LEU Chi-restraints excluded: chain N residue 221 ILE Chi-restraints excluded: chain N residue 236 PRO Chi-restraints excluded: chain N residue 239 ASN Chi-restraints excluded: chain N residue 242 LEU Chi-restraints excluded: chain N residue 245 LEU Chi-restraints excluded: chain N residue 249 ASN Chi-restraints excluded: chain N residue 254 ASN Chi-restraints excluded: chain N residue 256 PHE Chi-restraints excluded: chain N residue 258 LEU Chi-restraints excluded: chain N residue 266 THR Chi-restraints excluded: chain N residue 267 ARG Chi-restraints excluded: chain N residue 271 VAL Chi-restraints excluded: chain N residue 273 ASP Chi-restraints excluded: chain N residue 280 THR Chi-restraints excluded: chain N residue 281 THR Chi-restraints excluded: chain N residue 284 SER Chi-restraints excluded: chain N residue 288 HIS Chi-restraints excluded: chain N residue 290 MET Chi-restraints excluded: chain N residue 292 LEU Chi-restraints excluded: chain N residue 293 THR Chi-restraints excluded: chain N residue 297 VAL Chi-restraints excluded: chain N residue 299 SER Chi-restraints excluded: chain N residue 306 ASP Chi-restraints excluded: chain N residue 319 THR Chi-restraints excluded: chain N residue 322 ARG Chi-restraints excluded: chain N residue 323 ARG Chi-restraints excluded: chain N residue 324 LEU Chi-restraints excluded: chain N residue 325 SER Chi-restraints excluded: chain N residue 327 ILE Chi-restraints excluded: chain N residue 330 SER Chi-restraints excluded: chain N residue 331 ILE Chi-restraints excluded: chain N residue 333 ASP Chi-restraints excluded: chain N residue 338 TRP Chi-restraints excluded: chain N residue 339 ASP Chi-restraints excluded: chain N residue 342 LYS Chi-restraints excluded: chain N residue 349 LEU Chi-restraints excluded: chain N residue 351 THR Chi-restraints excluded: chain N residue 352 ILE Chi-restraints excluded: chain N residue 353 ILE Chi-restraints excluded: chain N residue 365 TYR Chi-restraints excluded: chain N residue 367 LYS Chi-restraints excluded: chain N residue 370 ASP Chi-restraints excluded: chain N residue 373 SER Chi-restraints excluded: chain N residue 378 SER Chi-restraints excluded: chain N residue 381 ILE Chi-restraints excluded: chain N residue 383 THR Chi-restraints excluded: chain N residue 384 ILE Chi-restraints excluded: chain N residue 385 LEU Chi-restraints excluded: chain N residue 398 VAL Chi-restraints excluded: chain N residue 406 HIS Chi-restraints excluded: chain N residue 407 LYS Chi-restraints excluded: chain N residue 408 TYR Chi-restraints excluded: chain N residue 413 LYS Chi-restraints excluded: chain N residue 419 THR Chi-restraints excluded: chain N residue 421 SER Chi-restraints excluded: chain N residue 431 VAL Chi-restraints excluded: chain N residue 452 THR Chi-restraints excluded: chain N residue 456 ASP Chi-restraints excluded: chain N residue 457 ASP Chi-restraints excluded: chain N residue 462 TYR Chi-restraints excluded: chain N residue 471 ILE Chi-restraints excluded: chain N residue 478 ILE Chi-restraints excluded: chain N residue 479 GLU Chi-restraints excluded: chain N residue 480 HIS Chi-restraints excluded: chain N residue 489 MET Chi-restraints excluded: chain N residue 490 VAL Chi-restraints excluded: chain N residue 497 LEU Chi-restraints excluded: chain N residue 501 ILE Chi-restraints excluded: chain N residue 528 ILE Chi-restraints excluded: chain N residue 536 GLU Chi-restraints excluded: chain N residue 539 VAL Chi-restraints excluded: chain N residue 544 ASP Chi-restraints excluded: chain N residue 564 ILE Chi-restraints excluded: chain N residue 570 ASP Chi-restraints excluded: chain N residue 573 ILE Chi-restraints excluded: chain N residue 576 GLU Chi-restraints excluded: chain N residue 583 ARG Chi-restraints excluded: chain O residue 11 GLN Chi-restraints excluded: chain O residue 12 TYR Chi-restraints excluded: chain O residue 13 LYS Chi-restraints excluded: chain O residue 19 PHE Chi-restraints excluded: chain O residue 25 ASP Chi-restraints excluded: chain O residue 26 ASN Chi-restraints excluded: chain O residue 32 VAL Chi-restraints excluded: chain O residue 33 GLN Chi-restraints excluded: chain O residue 34 ASP Chi-restraints excluded: chain O residue 35 MET Chi-restraints excluded: chain O residue 38 SER Chi-restraints excluded: chain O residue 39 ILE Chi-restraints excluded: chain O residue 41 SER Chi-restraints excluded: chain O residue 44 GLU Chi-restraints excluded: chain O residue 50 MET Chi-restraints excluded: chain O residue 51 SER Chi-restraints excluded: chain O residue 58 THR Chi-restraints excluded: chain O residue 65 LEU Chi-restraints excluded: chain O residue 66 LEU Chi-restraints excluded: chain O residue 77 VAL Chi-restraints excluded: chain O residue 80 VAL Chi-restraints excluded: chain O residue 81 LEU Chi-restraints excluded: chain O residue 82 ARG Chi-restraints excluded: chain O residue 83 ILE Chi-restraints excluded: chain O residue 85 TYR Chi-restraints excluded: chain O residue 92 ILE Chi-restraints excluded: chain O residue 94 THR Chi-restraints excluded: chain O residue 100 SER Chi-restraints excluded: chain O residue 103 THR Chi-restraints excluded: chain O residue 107 ILE Chi-restraints excluded: chain O residue 110 ARG Chi-restraints excluded: chain O residue 127 ARG Chi-restraints excluded: chain O residue 131 TYR Chi-restraints excluded: chain O residue 135 ARG Chi-restraints excluded: chain O residue 139 LEU Chi-restraints excluded: chain O residue 141 LEU Chi-restraints excluded: chain O residue 153 LEU Chi-restraints excluded: chain O residue 157 LYS Chi-restraints excluded: chain O residue 158 THR Chi-restraints excluded: chain O residue 160 VAL Chi-restraints excluded: chain O residue 166 LEU Chi-restraints excluded: chain O residue 167 SER Chi-restraints excluded: chain O residue 188 SER Chi-restraints excluded: chain O residue 191 THR Chi-restraints excluded: chain O residue 192 VAL Chi-restraints excluded: chain O residue 199 LEU Chi-restraints excluded: chain O residue 204 ASP Chi-restraints excluded: chain O residue 208 THR Chi-restraints excluded: chain O residue 219 LEU Chi-restraints excluded: chain O residue 221 ILE Chi-restraints excluded: chain O residue 225 GLN Chi-restraints excluded: chain O residue 234 SER Chi-restraints excluded: chain O residue 239 ASN Chi-restraints excluded: chain O residue 246 ASN Chi-restraints excluded: chain O residue 258 LEU Chi-restraints excluded: chain O residue 262 ILE Chi-restraints excluded: chain O residue 266 THR Chi-restraints excluded: chain O residue 273 ASP Chi-restraints excluded: chain O residue 275 LEU Chi-restraints excluded: chain O residue 279 THR Chi-restraints excluded: chain O residue 280 THR Chi-restraints excluded: chain O residue 281 THR Chi-restraints excluded: chain O residue 284 SER Chi-restraints excluded: chain O residue 285 LEU Chi-restraints excluded: chain O residue 288 HIS Chi-restraints excluded: chain O residue 291 THR Chi-restraints excluded: chain O residue 292 LEU Chi-restraints excluded: chain O residue 293 THR Chi-restraints excluded: chain O residue 305 LEU Chi-restraints excluded: chain O residue 321 PRO Chi-restraints excluded: chain O residue 323 ARG Chi-restraints excluded: chain O residue 324 LEU Chi-restraints excluded: chain O residue 325 SER Chi-restraints excluded: chain O residue 326 ILE Chi-restraints excluded: chain O residue 327 ILE Chi-restraints excluded: chain O residue 329 GLU Chi-restraints excluded: chain O residue 331 ILE Chi-restraints excluded: chain O residue 333 ASP Chi-restraints excluded: chain O residue 338 TRP Chi-restraints excluded: chain O residue 339 ASP Chi-restraints excluded: chain O residue 342 LYS Chi-restraints excluded: chain O residue 349 LEU Chi-restraints excluded: chain O residue 351 THR Chi-restraints excluded: chain O residue 352 ILE Chi-restraints excluded: chain O residue 353 ILE Chi-restraints excluded: chain O residue 359 VAL Chi-restraints excluded: chain O residue 365 TYR Chi-restraints excluded: chain O residue 367 LYS Chi-restraints excluded: chain O residue 370 ASP Chi-restraints excluded: chain O residue 371 ARG Chi-restraints excluded: chain O residue 373 SER Chi-restraints excluded: chain O residue 381 ILE Chi-restraints excluded: chain O residue 383 THR Chi-restraints excluded: chain O residue 384 ILE Chi-restraints excluded: chain O residue 385 LEU Chi-restraints excluded: chain O residue 387 SER Chi-restraints excluded: chain O residue 389 ILE Chi-restraints excluded: chain O residue 397 ASP Chi-restraints excluded: chain O residue 406 HIS Chi-restraints excluded: chain O residue 407 LYS Chi-restraints excluded: chain O residue 408 TYR Chi-restraints excluded: chain O residue 413 LYS Chi-restraints excluded: chain O residue 425 ILE Chi-restraints excluded: chain O residue 431 VAL Chi-restraints excluded: chain O residue 451 LYS Chi-restraints excluded: chain O residue 452 THR Chi-restraints excluded: chain O residue 456 ASP Chi-restraints excluded: chain O residue 457 ASP Chi-restraints excluded: chain O residue 462 TYR Chi-restraints excluded: chain O residue 463 LEU Chi-restraints excluded: chain O residue 471 ILE Chi-restraints excluded: chain O residue 478 ILE Chi-restraints excluded: chain O residue 479 GLU Chi-restraints excluded: chain O residue 480 HIS Chi-restraints excluded: chain O residue 485 THR Chi-restraints excluded: chain O residue 487 PHE Chi-restraints excluded: chain O residue 494 PHE Chi-restraints excluded: chain O residue 496 PHE Chi-restraints excluded: chain O residue 497 LEU Chi-restraints excluded: chain O residue 499 GLN Chi-restraints excluded: chain O residue 501 ILE Chi-restraints excluded: chain O residue 516 ASN Chi-restraints excluded: chain O residue 524 TYR Chi-restraints excluded: chain O residue 526 PRO Chi-restraints excluded: chain O residue 528 ILE Chi-restraints excluded: chain O residue 536 GLU Chi-restraints excluded: chain O residue 538 LEU Chi-restraints excluded: chain O residue 539 VAL Chi-restraints excluded: chain O residue 544 ASP Chi-restraints excluded: chain O residue 559 THR Chi-restraints excluded: chain O residue 564 ILE Chi-restraints excluded: chain O residue 576 GLU Chi-restraints excluded: chain O residue 580 GLN Chi-restraints excluded: chain O residue 582 GLN Chi-restraints excluded: chain P residue 12 TYR Chi-restraints excluded: chain P residue 13 LYS Chi-restraints excluded: chain P residue 19 PHE Chi-restraints excluded: chain P residue 25 ASP Chi-restraints excluded: chain P residue 32 VAL Chi-restraints excluded: chain P residue 33 GLN Chi-restraints excluded: chain P residue 34 ASP Chi-restraints excluded: chain P residue 38 SER Chi-restraints excluded: chain P residue 39 ILE Chi-restraints excluded: chain P residue 40 LEU Chi-restraints excluded: chain P residue 41 SER Chi-restraints excluded: chain P residue 46 ASP Chi-restraints excluded: chain P residue 51 SER Chi-restraints excluded: chain P residue 58 THR Chi-restraints excluded: chain P residue 74 GLN Chi-restraints excluded: chain P residue 77 VAL Chi-restraints excluded: chain P residue 80 VAL Chi-restraints excluded: chain P residue 81 LEU Chi-restraints excluded: chain P residue 82 ARG Chi-restraints excluded: chain P residue 89 MET Chi-restraints excluded: chain P residue 92 ILE Chi-restraints excluded: chain P residue 93 LYS Chi-restraints excluded: chain P residue 97 ARG Chi-restraints excluded: chain P residue 100 SER Chi-restraints excluded: chain P residue 101 MET Chi-restraints excluded: chain P residue 107 ILE Chi-restraints excluded: chain P residue 110 ARG Chi-restraints excluded: chain P residue 116 ASP Chi-restraints excluded: chain P residue 127 ARG Chi-restraints excluded: chain P residue 131 TYR Chi-restraints excluded: chain P residue 135 ARG Chi-restraints excluded: chain P residue 141 LEU Chi-restraints excluded: chain P residue 157 LYS Chi-restraints excluded: chain P residue 158 THR Chi-restraints excluded: chain P residue 162 LEU Chi-restraints excluded: chain P residue 164 VAL Chi-restraints excluded: chain P residue 166 LEU Chi-restraints excluded: chain P residue 173 LYS Chi-restraints excluded: chain P residue 177 LYS Chi-restraints excluded: chain P residue 179 PHE Chi-restraints excluded: chain P residue 188 SER Chi-restraints excluded: chain P residue 193 LEU Chi-restraints excluded: chain P residue 199 LEU Chi-restraints excluded: chain P residue 203 ILE Chi-restraints excluded: chain P residue 204 ASP Chi-restraints excluded: chain P residue 208 THR Chi-restraints excluded: chain P residue 210 ARG Chi-restraints excluded: chain P residue 211 SER Chi-restraints excluded: chain P residue 217 ILE Chi-restraints excluded: chain P residue 218 LYS Chi-restraints excluded: chain P residue 219 LEU Chi-restraints excluded: chain P residue 221 ILE Chi-restraints excluded: chain P residue 236 PRO Chi-restraints excluded: chain P residue 239 ASN Chi-restraints excluded: chain P residue 242 LEU Chi-restraints excluded: chain P residue 245 LEU Chi-restraints excluded: chain P residue 249 ASN Chi-restraints excluded: chain P residue 254 ASN Chi-restraints excluded: chain P residue 256 PHE Chi-restraints excluded: chain P residue 258 LEU Chi-restraints excluded: chain P residue 266 THR Chi-restraints excluded: chain P residue 267 ARG Chi-restraints excluded: chain P residue 271 VAL Chi-restraints excluded: chain P residue 273 ASP Chi-restraints excluded: chain P residue 280 THR Chi-restraints excluded: chain P residue 281 THR Chi-restraints excluded: chain P residue 284 SER Chi-restraints excluded: chain P residue 288 HIS Chi-restraints excluded: chain P residue 290 MET Chi-restraints excluded: chain P residue 292 LEU Chi-restraints excluded: chain P residue 293 THR Chi-restraints excluded: chain P residue 297 VAL Chi-restraints excluded: chain P residue 299 SER Chi-restraints excluded: chain P residue 306 ASP Chi-restraints excluded: chain P residue 319 THR Chi-restraints excluded: chain P residue 322 ARG Chi-restraints excluded: chain P residue 323 ARG Chi-restraints excluded: chain P residue 324 LEU Chi-restraints excluded: chain P residue 325 SER Chi-restraints excluded: chain P residue 327 ILE Chi-restraints excluded: chain P residue 330 SER Chi-restraints excluded: chain P residue 331 ILE Chi-restraints excluded: chain P residue 333 ASP Chi-restraints excluded: chain P residue 338 TRP Chi-restraints excluded: chain P residue 339 ASP Chi-restraints excluded: chain P residue 342 LYS Chi-restraints excluded: chain P residue 349 LEU Chi-restraints excluded: chain P residue 351 THR Chi-restraints excluded: chain P residue 352 ILE Chi-restraints excluded: chain P residue 353 ILE Chi-restraints excluded: chain P residue 365 TYR Chi-restraints excluded: chain P residue 367 LYS Chi-restraints excluded: chain P residue 370 ASP Chi-restraints excluded: chain P residue 373 SER Chi-restraints excluded: chain P residue 378 SER Chi-restraints excluded: chain P residue 381 ILE Chi-restraints excluded: chain P residue 383 THR Chi-restraints excluded: chain P residue 384 ILE Chi-restraints excluded: chain P residue 385 LEU Chi-restraints excluded: chain P residue 398 VAL Chi-restraints excluded: chain P residue 406 HIS Chi-restraints excluded: chain P residue 407 LYS Chi-restraints excluded: chain P residue 408 TYR Chi-restraints excluded: chain P residue 413 LYS Chi-restraints excluded: chain P residue 419 THR Chi-restraints excluded: chain P residue 421 SER Chi-restraints excluded: chain P residue 431 VAL Chi-restraints excluded: chain P residue 452 THR Chi-restraints excluded: chain P residue 456 ASP Chi-restraints excluded: chain P residue 457 ASP Chi-restraints excluded: chain P residue 462 TYR Chi-restraints excluded: chain P residue 471 ILE Chi-restraints excluded: chain P residue 478 ILE Chi-restraints excluded: chain P residue 479 GLU Chi-restraints excluded: chain P residue 480 HIS Chi-restraints excluded: chain P residue 489 MET Chi-restraints excluded: chain P residue 490 VAL Chi-restraints excluded: chain P residue 497 LEU Chi-restraints excluded: chain P residue 501 ILE Chi-restraints excluded: chain P residue 528 ILE Chi-restraints excluded: chain P residue 536 GLU Chi-restraints excluded: chain P residue 539 VAL Chi-restraints excluded: chain P residue 544 ASP Chi-restraints excluded: chain P residue 564 ILE Chi-restraints excluded: chain P residue 570 ASP Chi-restraints excluded: chain P residue 573 ILE Chi-restraints excluded: chain P residue 576 GLU Chi-restraints excluded: chain P residue 583 ARG Chi-restraints excluded: chain Q residue 11 GLN Chi-restraints excluded: chain Q residue 12 TYR Chi-restraints excluded: chain Q residue 13 LYS Chi-restraints excluded: chain Q residue 19 PHE Chi-restraints excluded: chain Q residue 25 ASP Chi-restraints excluded: chain Q residue 26 ASN Chi-restraints excluded: chain Q residue 32 VAL Chi-restraints excluded: chain Q residue 33 GLN Chi-restraints excluded: chain Q residue 34 ASP Chi-restraints excluded: chain Q residue 35 MET Chi-restraints excluded: chain Q residue 38 SER Chi-restraints excluded: chain Q residue 39 ILE Chi-restraints excluded: chain Q residue 41 SER Chi-restraints excluded: chain Q residue 44 GLU Chi-restraints excluded: chain Q residue 50 MET Chi-restraints excluded: chain Q residue 51 SER Chi-restraints excluded: chain Q residue 58 THR Chi-restraints excluded: chain Q residue 65 LEU Chi-restraints excluded: chain Q residue 66 LEU Chi-restraints excluded: chain Q residue 70 GLU Chi-restraints excluded: chain Q residue 77 VAL Chi-restraints excluded: chain Q residue 80 VAL Chi-restraints excluded: chain Q residue 81 LEU Chi-restraints excluded: chain Q residue 82 ARG Chi-restraints excluded: chain Q residue 83 ILE Chi-restraints excluded: chain Q residue 85 TYR Chi-restraints excluded: chain Q residue 92 ILE Chi-restraints excluded: chain Q residue 94 THR Chi-restraints excluded: chain Q residue 100 SER Chi-restraints excluded: chain Q residue 107 ILE Chi-restraints excluded: chain Q residue 110 ARG Chi-restraints excluded: chain Q residue 127 ARG Chi-restraints excluded: chain Q residue 131 TYR Chi-restraints excluded: chain Q residue 135 ARG Chi-restraints excluded: chain Q residue 139 LEU Chi-restraints excluded: chain Q residue 141 LEU Chi-restraints excluded: chain Q residue 153 LEU Chi-restraints excluded: chain Q residue 157 LYS Chi-restraints excluded: chain Q residue 158 THR Chi-restraints excluded: chain Q residue 160 VAL Chi-restraints excluded: chain Q residue 166 LEU Chi-restraints excluded: chain Q residue 167 SER Chi-restraints excluded: chain Q residue 188 SER Chi-restraints excluded: chain Q residue 191 THR Chi-restraints excluded: chain Q residue 192 VAL Chi-restraints excluded: chain Q residue 204 ASP Chi-restraints excluded: chain Q residue 208 THR Chi-restraints excluded: chain Q residue 219 LEU Chi-restraints excluded: chain Q residue 221 ILE Chi-restraints excluded: chain Q residue 234 SER Chi-restraints excluded: chain Q residue 239 ASN Chi-restraints excluded: chain Q residue 246 ASN Chi-restraints excluded: chain Q residue 249 ASN Chi-restraints excluded: chain Q residue 251 LYS Chi-restraints excluded: chain Q residue 258 LEU Chi-restraints excluded: chain Q residue 262 ILE Chi-restraints excluded: chain Q residue 264 LEU Chi-restraints excluded: chain Q residue 266 THR Chi-restraints excluded: chain Q residue 273 ASP Chi-restraints excluded: chain Q residue 275 LEU Chi-restraints excluded: chain Q residue 279 THR Chi-restraints excluded: chain Q residue 280 THR Chi-restraints excluded: chain Q residue 281 THR Chi-restraints excluded: chain Q residue 284 SER Chi-restraints excluded: chain Q residue 285 LEU Chi-restraints excluded: chain Q residue 288 HIS Chi-restraints excluded: chain Q residue 291 THR Chi-restraints excluded: chain Q residue 292 LEU Chi-restraints excluded: chain Q residue 293 THR Chi-restraints excluded: chain Q residue 305 LEU Chi-restraints excluded: chain Q residue 321 PRO Chi-restraints excluded: chain Q residue 323 ARG Chi-restraints excluded: chain Q residue 324 LEU Chi-restraints excluded: chain Q residue 325 SER Chi-restraints excluded: chain Q residue 326 ILE Chi-restraints excluded: chain Q residue 327 ILE Chi-restraints excluded: chain Q residue 329 GLU Chi-restraints excluded: chain Q residue 331 ILE Chi-restraints excluded: chain Q residue 333 ASP Chi-restraints excluded: chain Q residue 338 TRP Chi-restraints excluded: chain Q residue 339 ASP Chi-restraints excluded: chain Q residue 351 THR Chi-restraints excluded: chain Q residue 352 ILE Chi-restraints excluded: chain Q residue 353 ILE Chi-restraints excluded: chain Q residue 355 SER Chi-restraints excluded: chain Q residue 359 VAL Chi-restraints excluded: chain Q residue 365 TYR Chi-restraints excluded: chain Q residue 367 LYS Chi-restraints excluded: chain Q residue 370 ASP Chi-restraints excluded: chain Q residue 371 ARG Chi-restraints excluded: chain Q residue 373 SER Chi-restraints excluded: chain Q residue 381 ILE Chi-restraints excluded: chain Q residue 383 THR Chi-restraints excluded: chain Q residue 384 ILE Chi-restraints excluded: chain Q residue 385 LEU Chi-restraints excluded: chain Q residue 387 SER Chi-restraints excluded: chain Q residue 389 ILE Chi-restraints excluded: chain Q residue 397 ASP Chi-restraints excluded: chain Q residue 406 HIS Chi-restraints excluded: chain Q residue 407 LYS Chi-restraints excluded: chain Q residue 408 TYR Chi-restraints excluded: chain Q residue 413 LYS Chi-restraints excluded: chain Q residue 425 ILE Chi-restraints excluded: chain Q residue 431 VAL Chi-restraints excluded: chain Q residue 451 LYS Chi-restraints excluded: chain Q residue 452 THR Chi-restraints excluded: chain Q residue 456 ASP Chi-restraints excluded: chain Q residue 457 ASP Chi-restraints excluded: chain Q residue 462 TYR Chi-restraints excluded: chain Q residue 463 LEU Chi-restraints excluded: chain Q residue 471 ILE Chi-restraints excluded: chain Q residue 478 ILE Chi-restraints excluded: chain Q residue 479 GLU Chi-restraints excluded: chain Q residue 480 HIS Chi-restraints excluded: chain Q residue 485 THR Chi-restraints excluded: chain Q residue 487 PHE Chi-restraints excluded: chain Q residue 494 PHE Chi-restraints excluded: chain Q residue 496 PHE Chi-restraints excluded: chain Q residue 497 LEU Chi-restraints excluded: chain Q residue 499 GLN Chi-restraints excluded: chain Q residue 501 ILE Chi-restraints excluded: chain Q residue 516 ASN Chi-restraints excluded: chain Q residue 524 TYR Chi-restraints excluded: chain Q residue 526 PRO Chi-restraints excluded: chain Q residue 528 ILE Chi-restraints excluded: chain Q residue 536 GLU Chi-restraints excluded: chain Q residue 539 VAL Chi-restraints excluded: chain Q residue 544 ASP Chi-restraints excluded: chain Q residue 559 THR Chi-restraints excluded: chain Q residue 564 ILE Chi-restraints excluded: chain Q residue 576 GLU Chi-restraints excluded: chain Q residue 580 GLN Chi-restraints excluded: chain Q residue 582 GLN Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 8.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 345 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 345 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 136 GLN ** H 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 345 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 11 GLN ** J 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 345 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 69 GLN ** L 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 345 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 345 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 3 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7963 moved from start: 1.5873 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.040 0.319 113878 Z= 2.413 Angle : 2.868 34.562 154904 Z= 1.371 Chirality : 0.113 0.600 19294 Planarity : 0.016 0.138 20033 Dihedral : 16.615 172.919 18256 Min Nonbonded Distance : 1.854 Molprobity Statistics. All-atom Clashscore : 101.23 Ramachandran Plot: Outliers : 1.81 % Allowed : 39.05 % Favored : 59.14 % Rotamer: Outliers : 33.01 % Allowed : 25.27 % Favored : 41.71 % Cbeta Deviations : 0.35 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.21 % Twisted Proline : 8.00 % Twisted General : 5.19 % 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: -7.47 (0.06), residues: 8464 helix: -4.70 (0.04), residues: 4768 sheet: -5.07 (0.12), residues: 528 loop : -5.10 (0.09), residues: 3168 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.064 0.010 TRP A 159 HIS 0.026 0.009 HIS H 440 PHE 0.071 0.009 PHE A 87 TYR 0.073 0.009 TYR M 462 ARG 0.033 0.004 ARG N 82 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 16928 Ramachandran restraints generated. 8464 Oldfield, 0 Emsley, 8464 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 16928 Ramachandran restraints generated. 8464 Oldfield, 0 Emsley, 8464 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3364 residues out of total 8256 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2641 poor density : 723 time to evaluate : 7.487 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 35 MET cc_start: 0.8422 (OUTLIER) cc_final: 0.8089 (pmm) REVERT: A 76 PHE cc_start: 0.9491 (OUTLIER) cc_final: 0.9227 (t80) REVERT: A 101 MET cc_start: 0.8807 (OUTLIER) cc_final: 0.8261 (tpt) REVERT: A 110 ARG cc_start: 0.9461 (OUTLIER) cc_final: 0.9041 (ttm-80) REVERT: A 131 TYR cc_start: 0.9493 (OUTLIER) cc_final: 0.8722 (t80) REVERT: A 133 LYS cc_start: 0.9136 (OUTLIER) cc_final: 0.8765 (tptt) REVERT: A 157 LYS cc_start: 0.6544 (OUTLIER) cc_final: 0.3395 (mtmm) REVERT: A 210 ARG cc_start: 0.8288 (OUTLIER) cc_final: 0.7665 (tmm160) REVERT: A 327 ILE cc_start: 0.9237 (OUTLIER) cc_final: 0.9030 (mt) REVERT: A 332 ARG cc_start: 0.8311 (OUTLIER) cc_final: 0.8101 (tmm-80) REVERT: A 430 LYS cc_start: 0.8796 (OUTLIER) cc_final: 0.8567 (tttm) REVERT: A 447 TYR cc_start: 0.7479 (OUTLIER) cc_final: 0.6942 (t80) REVERT: A 479 GLU cc_start: 0.5940 (OUTLIER) cc_final: 0.5311 (tt0) REVERT: A 480 HIS cc_start: 0.8348 (OUTLIER) cc_final: 0.7887 (p-80) REVERT: A 578 HIS cc_start: 0.6722 (OUTLIER) cc_final: 0.6503 (t70) REVERT: C 12 TYR cc_start: 0.9306 (OUTLIER) cc_final: 0.8500 (t80) REVERT: C 33 GLN cc_start: 0.7765 (OUTLIER) cc_final: 0.6361 (pp30) REVERT: C 65 LEU cc_start: 0.9168 (OUTLIER) cc_final: 0.8710 (tp) REVERT: C 110 ARG cc_start: 0.9453 (OUTLIER) cc_final: 0.8470 (ttm-80) REVERT: C 199 LEU cc_start: 0.9730 (OUTLIER) cc_final: 0.9517 (tp) REVERT: C 239 ASN cc_start: 0.9038 (OUTLIER) cc_final: 0.8538 (p0) REVERT: C 249 ASN cc_start: 0.9127 (OUTLIER) cc_final: 0.8921 (p0) REVERT: C 371 ARG cc_start: 0.7504 (OUTLIER) cc_final: 0.6961 (mmm160) REVERT: C 397 ASP cc_start: 0.6188 (OUTLIER) cc_final: 0.5978 (t0) REVERT: C 451 LYS cc_start: 0.5284 (OUTLIER) cc_final: 0.4938 (tptm) REVERT: C 462 TYR cc_start: 0.6155 (OUTLIER) cc_final: 0.4639 (m-10) REVERT: C 479 GLU cc_start: 0.5420 (OUTLIER) cc_final: 0.5024 (tp30) REVERT: C 480 HIS cc_start: 0.8392 (OUTLIER) cc_final: 0.7849 (p-80) REVERT: C 487 PHE cc_start: 0.8058 (OUTLIER) cc_final: 0.7747 (t80) REVERT: C 524 TYR cc_start: 0.8365 (OUTLIER) cc_final: 0.8042 (m-10) REVERT: C 580 GLN cc_start: 0.7985 (OUTLIER) cc_final: 0.7180 (mm-40) REVERT: D 11 GLN cc_start: 0.8826 (OUTLIER) cc_final: 0.8467 (tt0) REVERT: D 35 MET cc_start: 0.8431 (OUTLIER) cc_final: 0.8211 (pmm) REVERT: D 39 ILE cc_start: 0.8735 (OUTLIER) cc_final: 0.8525 (tp) REVERT: D 101 MET cc_start: 0.8704 (OUTLIER) cc_final: 0.8150 (tpt) REVERT: D 110 ARG cc_start: 0.9456 (OUTLIER) cc_final: 0.9018 (ttm-80) REVERT: D 131 TYR cc_start: 0.9499 (OUTLIER) cc_final: 0.8690 (t80) REVERT: D 133 LYS cc_start: 0.9118 (OUTLIER) cc_final: 0.8756 (tptt) REVERT: D 210 ARG cc_start: 0.8296 (OUTLIER) cc_final: 0.7670 (tmm160) REVERT: D 267 ARG cc_start: 0.9106 (OUTLIER) cc_final: 0.8481 (ttt180) REVERT: D 327 ILE cc_start: 0.9327 (OUTLIER) cc_final: 0.9078 (mt) REVERT: D 447 TYR cc_start: 0.7496 (OUTLIER) cc_final: 0.6949 (t80) REVERT: D 479 GLU cc_start: 0.5946 (OUTLIER) cc_final: 0.5316 (tt0) REVERT: D 480 HIS cc_start: 0.8351 (OUTLIER) cc_final: 0.7899 (p-80) REVERT: D 578 HIS cc_start: 0.6734 (OUTLIER) cc_final: 0.6520 (t70) REVERT: E 12 TYR cc_start: 0.9318 (OUTLIER) cc_final: 0.8394 (t80) REVERT: E 33 GLN cc_start: 0.7938 (OUTLIER) cc_final: 0.6979 (pt0) REVERT: E 65 LEU cc_start: 0.9164 (OUTLIER) cc_final: 0.8689 (tp) REVERT: E 110 ARG cc_start: 0.9455 (OUTLIER) cc_final: 0.8459 (ttm-80) REVERT: E 199 LEU cc_start: 0.9731 (OUTLIER) cc_final: 0.9521 (tp) REVERT: E 249 ASN cc_start: 0.9139 (OUTLIER) cc_final: 0.8924 (p0) REVERT: E 371 ARG cc_start: 0.7509 (OUTLIER) cc_final: 0.6960 (mmm160) REVERT: E 397 ASP cc_start: 0.6185 (OUTLIER) cc_final: 0.5974 (t0) REVERT: E 462 TYR cc_start: 0.6156 (OUTLIER) cc_final: 0.4639 (m-10) REVERT: E 479 GLU cc_start: 0.5438 (OUTLIER) cc_final: 0.4980 (tp30) REVERT: E 480 HIS cc_start: 0.8471 (OUTLIER) cc_final: 0.7910 (p-80) REVERT: E 487 PHE cc_start: 0.8119 (OUTLIER) cc_final: 0.7719 (t80) REVERT: E 524 TYR cc_start: 0.8405 (OUTLIER) cc_final: 0.8120 (m-10) REVERT: E 580 GLN cc_start: 0.8001 (OUTLIER) cc_final: 0.7282 (mm110) REVERT: F 11 GLN cc_start: 0.8797 (OUTLIER) cc_final: 0.8480 (tt0) REVERT: F 35 MET cc_start: 0.8404 (OUTLIER) cc_final: 0.8123 (pmm) REVERT: F 74 GLN cc_start: 0.9414 (OUTLIER) cc_final: 0.9107 (tp40) REVERT: F 101 MET cc_start: 0.8714 (OUTLIER) cc_final: 0.8178 (tpt) REVERT: F 110 ARG cc_start: 0.9462 (OUTLIER) cc_final: 0.9022 (ttm-80) REVERT: F 127 ARG cc_start: 0.9346 (OUTLIER) cc_final: 0.8437 (mtp180) REVERT: F 131 TYR cc_start: 0.9490 (OUTLIER) cc_final: 0.8686 (t80) REVERT: F 133 LYS cc_start: 0.9121 (OUTLIER) cc_final: 0.8707 (tptt) REVERT: F 210 ARG cc_start: 0.8286 (OUTLIER) cc_final: 0.7677 (tmm160) REVERT: F 267 ARG cc_start: 0.9101 (OUTLIER) cc_final: 0.8485 (ttt180) REVERT: F 327 ILE cc_start: 0.9319 (OUTLIER) cc_final: 0.9039 (mt) REVERT: F 447 TYR cc_start: 0.7497 (OUTLIER) cc_final: 0.6946 (t80) REVERT: F 479 GLU cc_start: 0.5947 (OUTLIER) cc_final: 0.5311 (tt0) REVERT: F 480 HIS cc_start: 0.8346 (OUTLIER) cc_final: 0.7905 (p-80) REVERT: F 578 HIS cc_start: 0.6733 (OUTLIER) cc_final: 0.6523 (t70) REVERT: G 12 TYR cc_start: 0.9330 (OUTLIER) cc_final: 0.8306 (t80) REVERT: G 33 GLN cc_start: 0.7876 (OUTLIER) cc_final: 0.6820 (pt0) REVERT: G 65 LEU cc_start: 0.9163 (OUTLIER) cc_final: 0.8698 (tp) REVERT: G 110 ARG cc_start: 0.9446 (OUTLIER) cc_final: 0.8461 (ttm-80) REVERT: G 192 VAL cc_start: 0.9502 (OUTLIER) cc_final: 0.9256 (t) REVERT: G 239 ASN cc_start: 0.9045 (OUTLIER) cc_final: 0.8528 (p0) REVERT: G 249 ASN cc_start: 0.9142 (OUTLIER) cc_final: 0.8912 (p0) REVERT: G 371 ARG cc_start: 0.7501 (OUTLIER) cc_final: 0.6952 (mmm160) REVERT: G 397 ASP cc_start: 0.6223 (OUTLIER) cc_final: 0.6011 (t0) REVERT: G 462 TYR cc_start: 0.6153 (OUTLIER) cc_final: 0.4618 (m-10) REVERT: G 479 GLU cc_start: 0.5430 (OUTLIER) cc_final: 0.4972 (tp30) REVERT: G 480 HIS cc_start: 0.8469 (OUTLIER) cc_final: 0.7903 (p-80) REVERT: G 487 PHE cc_start: 0.8120 (OUTLIER) cc_final: 0.7727 (t80) REVERT: G 524 TYR cc_start: 0.8404 (OUTLIER) cc_final: 0.8118 (m-10) REVERT: G 580 GLN cc_start: 0.8013 (OUTLIER) cc_final: 0.7290 (mm110) REVERT: H 101 MET cc_start: 0.8734 (OUTLIER) cc_final: 0.8150 (tpt) REVERT: H 110 ARG cc_start: 0.9465 (OUTLIER) cc_final: 0.9059 (ttm-80) REVERT: H 127 ARG cc_start: 0.9341 (OUTLIER) cc_final: 0.8421 (mtp180) REVERT: H 131 TYR cc_start: 0.9488 (OUTLIER) cc_final: 0.8682 (t80) REVERT: H 133 LYS cc_start: 0.9115 (OUTLIER) cc_final: 0.8729 (tptt) REVERT: H 210 ARG cc_start: 0.8300 (OUTLIER) cc_final: 0.7666 (tmm160) REVERT: H 267 ARG cc_start: 0.9096 (OUTLIER) cc_final: 0.8478 (ttt180) REVERT: H 327 ILE cc_start: 0.9358 (OUTLIER) cc_final: 0.9084 (mt) REVERT: H 332 ARG cc_start: 0.8313 (OUTLIER) cc_final: 0.8090 (tmm-80) REVERT: H 446 HIS cc_start: 0.9305 (OUTLIER) cc_final: 0.9022 (m90) REVERT: H 447 TYR cc_start: 0.7493 (OUTLIER) cc_final: 0.6959 (t80) REVERT: H 479 GLU cc_start: 0.5941 (OUTLIER) cc_final: 0.5322 (tt0) REVERT: H 480 HIS cc_start: 0.8345 (OUTLIER) cc_final: 0.7895 (p-80) REVERT: H 578 HIS cc_start: 0.6742 (OUTLIER) cc_final: 0.6531 (t70) REVERT: I 12 TYR cc_start: 0.9312 (OUTLIER) cc_final: 0.8386 (t80) REVERT: I 33 GLN cc_start: 0.7949 (OUTLIER) cc_final: 0.6934 (pt0) REVERT: I 65 LEU cc_start: 0.9175 (OUTLIER) cc_final: 0.8698 (tp) REVERT: I 110 ARG cc_start: 0.9457 (OUTLIER) cc_final: 0.8455 (ttm-80) REVERT: I 192 VAL cc_start: 0.9487 (OUTLIER) cc_final: 0.9264 (t) REVERT: I 199 LEU cc_start: 0.9721 (OUTLIER) cc_final: 0.9498 (tp) REVERT: I 249 ASN cc_start: 0.9135 (OUTLIER) cc_final: 0.8914 (p0) REVERT: I 371 ARG cc_start: 0.7495 (OUTLIER) cc_final: 0.6935 (mmm160) REVERT: I 397 ASP cc_start: 0.6185 (OUTLIER) cc_final: 0.5973 (t0) REVERT: I 462 TYR cc_start: 0.6165 (OUTLIER) cc_final: 0.4635 (m-10) REVERT: I 479 GLU cc_start: 0.5429 (OUTLIER) cc_final: 0.4980 (tp30) REVERT: I 480 HIS cc_start: 0.8541 (OUTLIER) cc_final: 0.8012 (p-80) REVERT: I 487 PHE cc_start: 0.8127 (OUTLIER) cc_final: 0.7732 (t80) REVERT: I 524 TYR cc_start: 0.8408 (OUTLIER) cc_final: 0.8119 (m-10) REVERT: I 580 GLN cc_start: 0.8006 (OUTLIER) cc_final: 0.7284 (mm110) REVERT: J 11 GLN cc_start: 0.8732 (OUTLIER) cc_final: 0.8305 (tt0) REVERT: J 76 PHE cc_start: 0.9463 (OUTLIER) cc_final: 0.9190 (t80) REVERT: J 101 MET cc_start: 0.8708 (OUTLIER) cc_final: 0.8157 (tpt) REVERT: J 110 ARG cc_start: 0.9467 (OUTLIER) cc_final: 0.9046 (ttm-80) REVERT: J 127 ARG cc_start: 0.9333 (OUTLIER) cc_final: 0.8988 (mtm110) REVERT: J 131 TYR cc_start: 0.9495 (OUTLIER) cc_final: 0.8700 (t80) REVERT: J 133 LYS cc_start: 0.9119 (OUTLIER) cc_final: 0.8758 (tptt) REVERT: J 210 ARG cc_start: 0.8291 (OUTLIER) cc_final: 0.7666 (tmm160) REVERT: J 267 ARG cc_start: 0.9098 (OUTLIER) cc_final: 0.8487 (ttt180) REVERT: J 327 ILE cc_start: 0.9310 (OUTLIER) cc_final: 0.9056 (mt) REVERT: J 332 ARG cc_start: 0.8323 (OUTLIER) cc_final: 0.8117 (tmm-80) REVERT: J 447 TYR cc_start: 0.7478 (OUTLIER) cc_final: 0.6930 (t80) REVERT: J 479 GLU cc_start: 0.5954 (OUTLIER) cc_final: 0.5326 (tt0) REVERT: J 480 HIS cc_start: 0.8350 (OUTLIER) cc_final: 0.7912 (p-80) REVERT: J 522 LYS cc_start: 0.8827 (OUTLIER) cc_final: 0.8492 (mmmt) REVERT: J 578 HIS cc_start: 0.6741 (OUTLIER) cc_final: 0.6525 (t70) REVERT: K 12 TYR cc_start: 0.9335 (OUTLIER) cc_final: 0.8320 (t80) REVERT: K 33 GLN cc_start: 0.7827 (OUTLIER) cc_final: 0.6740 (pt0) REVERT: K 65 LEU cc_start: 0.9156 (OUTLIER) cc_final: 0.8687 (tp) REVERT: K 85 TYR cc_start: 0.9016 (OUTLIER) cc_final: 0.8480 (m-80) REVERT: K 110 ARG cc_start: 0.9443 (OUTLIER) cc_final: 0.8453 (ttm-80) REVERT: K 371 ARG cc_start: 0.7494 (OUTLIER) cc_final: 0.6946 (mmm160) REVERT: K 430 LYS cc_start: 0.8659 (tttm) cc_final: 0.8431 (tttm) REVERT: K 462 TYR cc_start: 0.6171 (OUTLIER) cc_final: 0.4638 (m-10) REVERT: K 479 GLU cc_start: 0.5418 (OUTLIER) cc_final: 0.4952 (tp30) REVERT: K 480 HIS cc_start: 0.8539 (OUTLIER) cc_final: 0.8000 (p-80) REVERT: K 487 PHE cc_start: 0.8132 (OUTLIER) cc_final: 0.7722 (t80) REVERT: K 524 TYR cc_start: 0.8398 (OUTLIER) cc_final: 0.8097 (m-10) REVERT: K 580 GLN cc_start: 0.8020 (OUTLIER) cc_final: 0.7299 (mm110) REVERT: L 35 MET cc_start: 0.8448 (OUTLIER) cc_final: 0.8125 (pmm) REVERT: L 76 PHE cc_start: 0.9466 (OUTLIER) cc_final: 0.9249 (t80) REVERT: L 101 MET cc_start: 0.8823 (OUTLIER) cc_final: 0.8250 (tpt) REVERT: L 110 ARG cc_start: 0.9467 (OUTLIER) cc_final: 0.9039 (ttm-80) REVERT: L 127 ARG cc_start: 0.9331 (OUTLIER) cc_final: 0.8743 (mtp180) REVERT: L 131 TYR cc_start: 0.9484 (OUTLIER) cc_final: 0.8708 (t80) REVERT: L 133 LYS cc_start: 0.9116 (OUTLIER) cc_final: 0.8721 (tptp) REVERT: L 210 ARG cc_start: 0.8305 (OUTLIER) cc_final: 0.7676 (tmm160) REVERT: L 267 ARG cc_start: 0.9159 (OUTLIER) cc_final: 0.8639 (ttt180) REVERT: L 327 ILE cc_start: 0.9308 (OUTLIER) cc_final: 0.9031 (mt) REVERT: L 332 ARG cc_start: 0.8319 (OUTLIER) cc_final: 0.8117 (tmm-80) REVERT: L 430 LYS cc_start: 0.8951 (tttt) cc_final: 0.8669 (tttm) REVERT: L 447 TYR cc_start: 0.7496 (OUTLIER) cc_final: 0.6944 (t80) REVERT: L 476 LYS cc_start: 0.7946 (OUTLIER) cc_final: 0.7604 (mmtm) REVERT: L 479 GLU cc_start: 0.5955 (OUTLIER) cc_final: 0.5313 (tt0) REVERT: L 480 HIS cc_start: 0.8356 (OUTLIER) cc_final: 0.7921 (p-80) REVERT: L 578 HIS cc_start: 0.6728 (OUTLIER) cc_final: 0.6515 (t70) REVERT: M 12 TYR cc_start: 0.9384 (OUTLIER) cc_final: 0.8260 (t80) REVERT: M 33 GLN cc_start: 0.7914 (OUTLIER) cc_final: 0.6867 (pt0) REVERT: M 65 LEU cc_start: 0.9160 (OUTLIER) cc_final: 0.8685 (tp) REVERT: M 85 TYR cc_start: 0.9012 (OUTLIER) cc_final: 0.8474 (m-80) REVERT: M 110 ARG cc_start: 0.9452 (OUTLIER) cc_final: 0.8474 (ttm-80) REVERT: M 192 VAL cc_start: 0.9491 (OUTLIER) cc_final: 0.9269 (t) REVERT: M 199 LEU cc_start: 0.9716 (OUTLIER) cc_final: 0.9491 (tp) REVERT: M 239 ASN cc_start: 0.9068 (OUTLIER) cc_final: 0.8519 (p0) REVERT: M 249 ASN cc_start: 0.9121 (OUTLIER) cc_final: 0.8912 (p0) REVERT: M 371 ARG cc_start: 0.7500 (OUTLIER) cc_final: 0.6961 (mmm160) REVERT: M 397 ASP cc_start: 0.5850 (OUTLIER) cc_final: 0.5546 (t0) REVERT: M 462 TYR cc_start: 0.6164 (OUTLIER) cc_final: 0.4644 (m-10) REVERT: M 479 GLU cc_start: 0.5423 (OUTLIER) cc_final: 0.4967 (tp30) REVERT: M 480 HIS cc_start: 0.8541 (OUTLIER) cc_final: 0.7988 (p-80) REVERT: M 487 PHE cc_start: 0.8129 (OUTLIER) cc_final: 0.7720 (t80) REVERT: M 524 TYR cc_start: 0.8401 (OUTLIER) cc_final: 0.8107 (m-10) REVERT: M 580 GLN cc_start: 0.8015 (OUTLIER) cc_final: 0.7286 (mm110) REVERT: N 35 MET cc_start: 0.8442 (OUTLIER) cc_final: 0.8134 (pmm) REVERT: N 101 MET cc_start: 0.8710 (OUTLIER) cc_final: 0.8187 (tpt) REVERT: N 110 ARG cc_start: 0.9465 (OUTLIER) cc_final: 0.9031 (ttm-80) REVERT: N 127 ARG cc_start: 0.9345 (OUTLIER) cc_final: 0.8332 (mtp180) REVERT: N 131 TYR cc_start: 0.9491 (OUTLIER) cc_final: 0.8707 (t80) REVERT: N 133 LYS cc_start: 0.9110 (OUTLIER) cc_final: 0.8727 (tptt) REVERT: N 210 ARG cc_start: 0.8284 (OUTLIER) cc_final: 0.7672 (tmm160) REVERT: N 267 ARG cc_start: 0.9188 (OUTLIER) cc_final: 0.8707 (ttt180) REVERT: N 327 ILE cc_start: 0.9306 (OUTLIER) cc_final: 0.9024 (mt) REVERT: N 332 ARG cc_start: 0.8313 (OUTLIER) cc_final: 0.8078 (tmm-80) REVERT: N 430 LYS cc_start: 0.8813 (tmtt) cc_final: 0.8612 (tmtt) REVERT: N 447 TYR cc_start: 0.7479 (OUTLIER) cc_final: 0.6933 (t80) REVERT: N 479 GLU cc_start: 0.5959 (OUTLIER) cc_final: 0.5326 (tt0) REVERT: N 480 HIS cc_start: 0.8355 (OUTLIER) cc_final: 0.7908 (p-80) REVERT: N 578 HIS cc_start: 0.6726 (OUTLIER) cc_final: 0.6517 (t70) REVERT: O 12 TYR cc_start: 0.9365 (OUTLIER) cc_final: 0.8230 (t80) REVERT: O 33 GLN cc_start: 0.7910 (OUTLIER) cc_final: 0.6865 (pt0) REVERT: O 65 LEU cc_start: 0.9157 (OUTLIER) cc_final: 0.8678 (tp) REVERT: O 85 TYR cc_start: 0.8977 (OUTLIER) cc_final: 0.8418 (m-80) REVERT: O 110 ARG cc_start: 0.9455 (OUTLIER) cc_final: 0.8470 (ttm-80) REVERT: O 192 VAL cc_start: 0.9491 (OUTLIER) cc_final: 0.9262 (t) REVERT: O 199 LEU cc_start: 0.9720 (OUTLIER) cc_final: 0.9512 (tp) REVERT: O 239 ASN cc_start: 0.9027 (OUTLIER) cc_final: 0.8431 (p0) REVERT: O 371 ARG cc_start: 0.7496 (OUTLIER) cc_final: 0.6955 (mmm160) REVERT: O 462 TYR cc_start: 0.6175 (OUTLIER) cc_final: 0.4645 (m-10) REVERT: O 479 GLU cc_start: 0.5432 (OUTLIER) cc_final: 0.4941 (tp30) REVERT: O 480 HIS cc_start: 0.8468 (OUTLIER) cc_final: 0.7889 (p-80) REVERT: O 487 PHE cc_start: 0.8118 (OUTLIER) cc_final: 0.7720 (t80) REVERT: O 524 TYR cc_start: 0.8399 (OUTLIER) cc_final: 0.8095 (m-10) REVERT: O 580 GLN cc_start: 0.8022 (OUTLIER) cc_final: 0.7299 (mm110) REVERT: P 11 GLN cc_start: 0.8786 (OUTLIER) cc_final: 0.8463 (tt0) REVERT: P 35 MET cc_start: 0.8435 (OUTLIER) cc_final: 0.8138 (pmm) REVERT: P 74 GLN cc_start: 0.9412 (OUTLIER) cc_final: 0.9109 (tp40) REVERT: P 101 MET cc_start: 0.8724 (OUTLIER) cc_final: 0.8190 (tpt) REVERT: P 110 ARG cc_start: 0.9466 (OUTLIER) cc_final: 0.9062 (ttm-80) REVERT: P 131 TYR cc_start: 0.9490 (OUTLIER) cc_final: 0.8750 (t80) REVERT: P 133 LYS cc_start: 0.9114 (OUTLIER) cc_final: 0.8754 (tptt) REVERT: P 210 ARG cc_start: 0.8295 (OUTLIER) cc_final: 0.7666 (tmm160) REVERT: P 267 ARG cc_start: 0.9194 (OUTLIER) cc_final: 0.8722 (ttt180) REVERT: P 300 LEU cc_start: 0.9595 (OUTLIER) cc_final: 0.9344 (tp) REVERT: P 327 ILE cc_start: 0.9307 (OUTLIER) cc_final: 0.9050 (mt) REVERT: P 447 TYR cc_start: 0.7497 (OUTLIER) cc_final: 0.6946 (t80) REVERT: P 479 GLU cc_start: 0.5960 (OUTLIER) cc_final: 0.5317 (tt0) REVERT: P 480 HIS cc_start: 0.8358 (OUTLIER) cc_final: 0.7909 (p-80) REVERT: P 578 HIS cc_start: 0.6726 (OUTLIER) cc_final: 0.6514 (t70) REVERT: Q 12 TYR cc_start: 0.9341 (OUTLIER) cc_final: 0.8350 (t80) REVERT: Q 33 GLN cc_start: 0.7902 (OUTLIER) cc_final: 0.6872 (pt0) REVERT: Q 65 LEU cc_start: 0.9160 (OUTLIER) cc_final: 0.8694 (tp) REVERT: Q 85 TYR cc_start: 0.9001 (OUTLIER) cc_final: 0.8468 (m-80) REVERT: Q 110 ARG cc_start: 0.9462 (OUTLIER) cc_final: 0.8491 (ttm-80) REVERT: Q 192 VAL cc_start: 0.9489 (OUTLIER) cc_final: 0.9253 (t) REVERT: Q 195 MET cc_start: 0.8884 (tpp) cc_final: 0.8511 (tpp) REVERT: Q 239 ASN cc_start: 0.9081 (OUTLIER) cc_final: 0.8519 (p0) REVERT: Q 371 ARG cc_start: 0.7504 (OUTLIER) cc_final: 0.6912 (mmm160) REVERT: Q 397 ASP cc_start: 0.6234 (OUTLIER) cc_final: 0.6031 (t0) REVERT: Q 430 LYS cc_start: 0.8654 (tttm) cc_final: 0.8409 (tttm) REVERT: Q 462 TYR cc_start: 0.6166 (OUTLIER) cc_final: 0.4643 (m-10) REVERT: Q 479 GLU cc_start: 0.5417 (OUTLIER) cc_final: 0.4962 (tp30) REVERT: Q 480 HIS cc_start: 0.8541 (OUTLIER) cc_final: 0.8010 (p-80) REVERT: Q 487 PHE cc_start: 0.8118 (OUTLIER) cc_final: 0.7723 (t80) REVERT: Q 524 TYR cc_start: 0.8412 (OUTLIER) cc_final: 0.8117 (m-10) REVERT: Q 580 GLN cc_start: 0.8000 (OUTLIER) cc_final: 0.7276 (mm110) outliers start: 2641 outliers final: 2006 residues processed: 3119 average time/residue: 0.9118 time to fit residues: 4937.5333 Evaluate side-chains 2940 residues out of total 8256 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2244 poor density : 696 time to evaluate : 7.453 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 12 TYR Chi-restraints excluded: chain A residue 13 LYS Chi-restraints excluded: chain A residue 19 PHE Chi-restraints excluded: chain A residue 25 ASP Chi-restraints excluded: chain A residue 33 GLN Chi-restraints excluded: chain A residue 34 ASP Chi-restraints excluded: chain A residue 35 MET Chi-restraints excluded: chain A residue 38 SER Chi-restraints excluded: chain A residue 40 LEU Chi-restraints excluded: chain A residue 41 SER Chi-restraints excluded: chain A residue 44 GLU Chi-restraints excluded: chain A residue 46 ASP Chi-restraints excluded: chain A residue 51 SER Chi-restraints excluded: chain A residue 58 THR Chi-restraints excluded: chain A residue 76 PHE Chi-restraints excluded: chain A residue 77 VAL Chi-restraints excluded: chain A residue 80 VAL Chi-restraints excluded: chain A residue 82 ARG Chi-restraints excluded: chain A residue 89 MET Chi-restraints excluded: chain A residue 92 ILE Chi-restraints excluded: chain A residue 93 LYS Chi-restraints excluded: chain A residue 100 SER Chi-restraints excluded: chain A residue 101 MET Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 110 ARG Chi-restraints excluded: chain A residue 116 ASP Chi-restraints excluded: chain A residue 124 ASN Chi-restraints excluded: chain A residue 126 SER Chi-restraints excluded: chain A residue 131 TYR Chi-restraints excluded: chain A residue 133 LYS Chi-restraints excluded: chain A residue 135 ARG Chi-restraints excluded: chain A residue 141 LEU Chi-restraints excluded: chain A residue 157 LYS Chi-restraints excluded: chain A residue 158 THR Chi-restraints excluded: chain A residue 162 LEU Chi-restraints excluded: chain A residue 164 VAL Chi-restraints excluded: chain A residue 166 LEU Chi-restraints excluded: chain A residue 167 SER Chi-restraints excluded: chain A residue 173 LYS Chi-restraints excluded: chain A residue 177 LYS Chi-restraints excluded: chain A residue 179 PHE Chi-restraints excluded: chain A residue 188 SER Chi-restraints excluded: chain A residue 199 LEU Chi-restraints excluded: chain A residue 203 ILE Chi-restraints excluded: chain A residue 204 ASP Chi-restraints excluded: chain A residue 208 THR Chi-restraints excluded: chain A residue 210 ARG Chi-restraints excluded: chain A residue 211 SER Chi-restraints excluded: chain A residue 218 LYS Chi-restraints excluded: chain A residue 221 ILE Chi-restraints excluded: chain A residue 230 ARG Chi-restraints excluded: chain A residue 234 SER Chi-restraints excluded: chain A residue 236 PRO Chi-restraints excluded: chain A residue 239 ASN Chi-restraints excluded: chain A residue 242 LEU Chi-restraints excluded: chain A residue 247 VAL Chi-restraints excluded: chain A residue 249 ASN Chi-restraints excluded: chain A residue 254 ASN Chi-restraints excluded: chain A residue 256 PHE Chi-restraints excluded: chain A residue 258 LEU Chi-restraints excluded: chain A residue 266 THR Chi-restraints excluded: chain A residue 271 VAL Chi-restraints excluded: chain A residue 273 ASP Chi-restraints excluded: chain A residue 280 THR Chi-restraints excluded: chain A residue 281 THR Chi-restraints excluded: chain A residue 285 LEU Chi-restraints excluded: chain A residue 288 HIS Chi-restraints excluded: chain A residue 290 MET Chi-restraints excluded: chain A residue 292 LEU Chi-restraints excluded: chain A residue 293 THR Chi-restraints excluded: chain A residue 297 VAL Chi-restraints excluded: chain A residue 299 SER Chi-restraints excluded: chain A residue 305 LEU Chi-restraints excluded: chain A residue 307 CYS Chi-restraints excluded: chain A residue 319 THR Chi-restraints excluded: chain A residue 321 PRO Chi-restraints excluded: chain A residue 322 ARG Chi-restraints excluded: chain A residue 323 ARG Chi-restraints excluded: chain A residue 327 ILE Chi-restraints excluded: chain A residue 331 ILE Chi-restraints excluded: chain A residue 332 ARG Chi-restraints excluded: chain A residue 333 ASP Chi-restraints excluded: chain A residue 338 TRP Chi-restraints excluded: chain A residue 339 ASP Chi-restraints excluded: chain A residue 342 LYS Chi-restraints excluded: chain A residue 349 LEU Chi-restraints excluded: chain A residue 351 THR Chi-restraints excluded: chain A residue 352 ILE Chi-restraints excluded: chain A residue 353 ILE Chi-restraints excluded: chain A residue 359 VAL Chi-restraints excluded: chain A residue 365 TYR Chi-restraints excluded: chain A residue 370 ASP Chi-restraints excluded: chain A residue 373 SER Chi-restraints excluded: chain A residue 378 SER Chi-restraints excluded: chain A residue 381 ILE Chi-restraints excluded: chain A residue 383 THR Chi-restraints excluded: chain A residue 384 ILE Chi-restraints excluded: chain A residue 385 LEU Chi-restraints excluded: chain A residue 387 SER Chi-restraints excluded: chain A residue 397 ASP Chi-restraints excluded: chain A residue 398 VAL Chi-restraints excluded: chain A residue 406 HIS Chi-restraints excluded: chain A residue 407 LYS Chi-restraints excluded: chain A residue 408 TYR Chi-restraints excluded: chain A residue 413 LYS Chi-restraints excluded: chain A residue 419 THR Chi-restraints excluded: chain A residue 421 SER Chi-restraints excluded: chain A residue 428 GLU Chi-restraints excluded: chain A residue 430 LYS Chi-restraints excluded: chain A residue 431 VAL Chi-restraints excluded: chain A residue 441 ARG Chi-restraints excluded: chain A residue 447 TYR Chi-restraints excluded: chain A residue 451 LYS Chi-restraints excluded: chain A residue 452 THR Chi-restraints excluded: chain A residue 456 ASP Chi-restraints excluded: chain A residue 457 ASP Chi-restraints excluded: chain A residue 462 TYR Chi-restraints excluded: chain A residue 463 LEU Chi-restraints excluded: chain A residue 471 ILE Chi-restraints excluded: chain A residue 478 ILE Chi-restraints excluded: chain A residue 479 GLU Chi-restraints excluded: chain A residue 480 HIS Chi-restraints excluded: chain A residue 489 MET Chi-restraints excluded: chain A residue 494 PHE Chi-restraints excluded: chain A residue 497 LEU Chi-restraints excluded: chain A residue 501 ILE Chi-restraints excluded: chain A residue 526 PRO Chi-restraints excluded: chain A residue 528 ILE Chi-restraints excluded: chain A residue 535 TYR Chi-restraints excluded: chain A residue 536 GLU Chi-restraints excluded: chain A residue 539 VAL Chi-restraints excluded: chain A residue 544 ASP Chi-restraints excluded: chain A residue 549 ILE Chi-restraints excluded: chain A residue 559 THR Chi-restraints excluded: chain A residue 564 ILE Chi-restraints excluded: chain A residue 570 ASP Chi-restraints excluded: chain A residue 573 ILE Chi-restraints excluded: chain A residue 576 GLU Chi-restraints excluded: chain A residue 578 HIS Chi-restraints excluded: chain C residue 11 GLN Chi-restraints excluded: chain C residue 12 TYR Chi-restraints excluded: chain C residue 13 LYS Chi-restraints excluded: chain C residue 19 PHE Chi-restraints excluded: chain C residue 25 ASP Chi-restraints excluded: chain C residue 26 ASN Chi-restraints excluded: chain C residue 32 VAL Chi-restraints excluded: chain C residue 33 GLN Chi-restraints excluded: chain C residue 38 SER Chi-restraints excluded: chain C residue 39 ILE Chi-restraints excluded: chain C residue 41 SER Chi-restraints excluded: chain C residue 44 GLU Chi-restraints excluded: chain C residue 50 MET Chi-restraints excluded: chain C residue 51 SER Chi-restraints excluded: chain C residue 58 THR Chi-restraints excluded: chain C residue 65 LEU Chi-restraints excluded: chain C residue 66 LEU Chi-restraints excluded: chain C residue 72 MET Chi-restraints excluded: chain C residue 77 VAL Chi-restraints excluded: chain C residue 80 VAL Chi-restraints excluded: chain C residue 81 LEU Chi-restraints excluded: chain C residue 82 ARG Chi-restraints excluded: chain C residue 83 ILE Chi-restraints excluded: chain C residue 85 TYR Chi-restraints excluded: chain C residue 92 ILE Chi-restraints excluded: chain C residue 94 THR Chi-restraints excluded: chain C residue 97 ARG Chi-restraints excluded: chain C residue 100 SER Chi-restraints excluded: chain C residue 107 ILE Chi-restraints excluded: chain C residue 110 ARG Chi-restraints excluded: chain C residue 122 LYS Chi-restraints excluded: chain C residue 127 ARG Chi-restraints excluded: chain C residue 131 TYR Chi-restraints excluded: chain C residue 135 ARG Chi-restraints excluded: chain C residue 139 LEU Chi-restraints excluded: chain C residue 140 GLU Chi-restraints excluded: chain C residue 141 LEU Chi-restraints excluded: chain C residue 150 ASP Chi-restraints excluded: chain C residue 153 LEU Chi-restraints excluded: chain C residue 157 LYS Chi-restraints excluded: chain C residue 158 THR Chi-restraints excluded: chain C residue 160 VAL Chi-restraints excluded: chain C residue 166 LEU Chi-restraints excluded: chain C residue 167 SER Chi-restraints excluded: chain C residue 188 SER Chi-restraints excluded: chain C residue 191 THR Chi-restraints excluded: chain C residue 193 LEU Chi-restraints excluded: chain C residue 199 LEU Chi-restraints excluded: chain C residue 204 ASP Chi-restraints excluded: chain C residue 208 THR Chi-restraints excluded: chain C residue 219 LEU Chi-restraints excluded: chain C residue 221 ILE Chi-restraints excluded: chain C residue 225 GLN Chi-restraints excluded: chain C residue 234 SER Chi-restraints excluded: chain C residue 239 ASN Chi-restraints excluded: chain C residue 246 ASN Chi-restraints excluded: chain C residue 249 ASN Chi-restraints excluded: chain C residue 258 LEU Chi-restraints excluded: chain C residue 262 ILE Chi-restraints excluded: chain C residue 264 LEU Chi-restraints excluded: chain C residue 266 THR Chi-restraints excluded: chain C residue 273 ASP Chi-restraints excluded: chain C residue 279 THR Chi-restraints excluded: chain C residue 280 THR Chi-restraints excluded: chain C residue 281 THR Chi-restraints excluded: chain C residue 284 SER Chi-restraints excluded: chain C residue 285 LEU Chi-restraints excluded: chain C residue 288 HIS Chi-restraints excluded: chain C residue 291 THR Chi-restraints excluded: chain C residue 292 LEU Chi-restraints excluded: chain C residue 293 THR Chi-restraints excluded: chain C residue 305 LEU Chi-restraints excluded: chain C residue 321 PRO Chi-restraints excluded: chain C residue 324 LEU Chi-restraints excluded: chain C residue 325 SER Chi-restraints excluded: chain C residue 327 ILE Chi-restraints excluded: chain C residue 329 GLU Chi-restraints excluded: chain C residue 331 ILE Chi-restraints excluded: chain C residue 333 ASP Chi-restraints excluded: chain C residue 338 TRP Chi-restraints excluded: chain C residue 339 ASP Chi-restraints excluded: chain C residue 343 HIS Chi-restraints excluded: chain C residue 349 LEU Chi-restraints excluded: chain C residue 351 THR Chi-restraints excluded: chain C residue 352 ILE Chi-restraints excluded: chain C residue 353 ILE Chi-restraints excluded: chain C residue 355 SER Chi-restraints excluded: chain C residue 359 VAL Chi-restraints excluded: chain C residue 365 TYR Chi-restraints excluded: chain C residue 371 ARG Chi-restraints excluded: chain C residue 373 SER Chi-restraints excluded: chain C residue 381 ILE Chi-restraints excluded: chain C residue 383 THR Chi-restraints excluded: chain C residue 384 ILE Chi-restraints excluded: chain C residue 385 LEU Chi-restraints excluded: chain C residue 387 SER Chi-restraints excluded: chain C residue 389 ILE Chi-restraints excluded: chain C residue 397 ASP Chi-restraints excluded: chain C residue 400 VAL Chi-restraints excluded: chain C residue 406 HIS Chi-restraints excluded: chain C residue 407 LYS Chi-restraints excluded: chain C residue 408 TYR Chi-restraints excluded: chain C residue 413 LYS Chi-restraints excluded: chain C residue 425 ILE Chi-restraints excluded: chain C residue 443 ILE Chi-restraints excluded: chain C residue 447 TYR Chi-restraints excluded: chain C residue 451 LYS Chi-restraints excluded: chain C residue 452 THR Chi-restraints excluded: chain C residue 456 ASP Chi-restraints excluded: chain C residue 457 ASP Chi-restraints excluded: chain C residue 462 TYR Chi-restraints excluded: chain C residue 463 LEU Chi-restraints excluded: chain C residue 471 ILE Chi-restraints excluded: chain C residue 475 LEU Chi-restraints excluded: chain C residue 478 ILE Chi-restraints excluded: chain C residue 479 GLU Chi-restraints excluded: chain C residue 480 HIS Chi-restraints excluded: chain C residue 485 THR Chi-restraints excluded: chain C residue 487 PHE Chi-restraints excluded: chain C residue 494 PHE Chi-restraints excluded: chain C residue 495 ARG Chi-restraints excluded: chain C residue 497 LEU Chi-restraints excluded: chain C residue 499 GLN Chi-restraints excluded: chain C residue 501 ILE Chi-restraints excluded: chain C residue 516 ASN Chi-restraints excluded: chain C residue 524 TYR Chi-restraints excluded: chain C residue 528 ILE Chi-restraints excluded: chain C residue 536 GLU Chi-restraints excluded: chain C residue 539 VAL Chi-restraints excluded: chain C residue 544 ASP Chi-restraints excluded: chain C residue 564 ILE Chi-restraints excluded: chain C residue 576 GLU Chi-restraints excluded: chain C residue 580 GLN Chi-restraints excluded: chain D residue 11 GLN Chi-restraints excluded: chain D residue 12 TYR Chi-restraints excluded: chain D residue 13 LYS Chi-restraints excluded: chain D residue 19 PHE Chi-restraints excluded: chain D residue 25 ASP Chi-restraints excluded: chain D residue 33 GLN Chi-restraints excluded: chain D residue 34 ASP Chi-restraints excluded: chain D residue 35 MET Chi-restraints excluded: chain D residue 38 SER Chi-restraints excluded: chain D residue 39 ILE Chi-restraints excluded: chain D residue 40 LEU Chi-restraints excluded: chain D residue 41 SER Chi-restraints excluded: chain D residue 44 GLU Chi-restraints excluded: chain D residue 46 ASP Chi-restraints excluded: chain D residue 51 SER Chi-restraints excluded: chain D residue 58 THR Chi-restraints excluded: chain D residue 60 ARG Chi-restraints excluded: chain D residue 77 VAL Chi-restraints excluded: chain D residue 80 VAL Chi-restraints excluded: chain D residue 82 ARG Chi-restraints excluded: chain D residue 89 MET Chi-restraints excluded: chain D residue 92 ILE Chi-restraints excluded: chain D residue 93 LYS Chi-restraints excluded: chain D residue 100 SER Chi-restraints excluded: chain D residue 101 MET Chi-restraints excluded: chain D residue 107 ILE Chi-restraints excluded: chain D residue 110 ARG Chi-restraints excluded: chain D residue 116 ASP Chi-restraints excluded: chain D residue 124 ASN Chi-restraints excluded: chain D residue 127 ARG Chi-restraints excluded: chain D residue 131 TYR Chi-restraints excluded: chain D residue 133 LYS Chi-restraints excluded: chain D residue 135 ARG Chi-restraints excluded: chain D residue 141 LEU Chi-restraints excluded: chain D residue 153 LEU Chi-restraints excluded: chain D residue 157 LYS Chi-restraints excluded: chain D residue 158 THR Chi-restraints excluded: chain D residue 160 VAL Chi-restraints excluded: chain D residue 162 LEU Chi-restraints excluded: chain D residue 164 VAL Chi-restraints excluded: chain D residue 166 LEU Chi-restraints excluded: chain D residue 167 SER Chi-restraints excluded: chain D residue 173 LYS Chi-restraints excluded: chain D residue 179 PHE Chi-restraints excluded: chain D residue 188 SER Chi-restraints excluded: chain D residue 199 LEU Chi-restraints excluded: chain D residue 203 ILE Chi-restraints excluded: chain D residue 204 ASP Chi-restraints excluded: chain D residue 208 THR Chi-restraints excluded: chain D residue 210 ARG Chi-restraints excluded: chain D residue 211 SER Chi-restraints excluded: chain D residue 218 LYS Chi-restraints excluded: chain D residue 221 ILE Chi-restraints excluded: chain D residue 230 ARG Chi-restraints excluded: chain D residue 234 SER Chi-restraints excluded: chain D residue 236 PRO Chi-restraints excluded: chain D residue 239 ASN Chi-restraints excluded: chain D residue 242 LEU Chi-restraints excluded: chain D residue 245 LEU Chi-restraints excluded: chain D residue 247 VAL Chi-restraints excluded: chain D residue 249 ASN Chi-restraints excluded: chain D residue 254 ASN Chi-restraints excluded: chain D residue 256 PHE Chi-restraints excluded: chain D residue 258 LEU Chi-restraints excluded: chain D residue 266 THR Chi-restraints excluded: chain D residue 267 ARG Chi-restraints excluded: chain D residue 271 VAL Chi-restraints excluded: chain D residue 273 ASP Chi-restraints excluded: chain D residue 280 THR Chi-restraints excluded: chain D residue 281 THR Chi-restraints excluded: chain D residue 284 SER Chi-restraints excluded: chain D residue 288 HIS Chi-restraints excluded: chain D residue 290 MET Chi-restraints excluded: chain D residue 292 LEU Chi-restraints excluded: chain D residue 293 THR Chi-restraints excluded: chain D residue 297 VAL Chi-restraints excluded: chain D residue 299 SER Chi-restraints excluded: chain D residue 305 LEU Chi-restraints excluded: chain D residue 307 CYS Chi-restraints excluded: chain D residue 319 THR Chi-restraints excluded: chain D residue 321 PRO Chi-restraints excluded: chain D residue 322 ARG Chi-restraints excluded: chain D residue 323 ARG Chi-restraints excluded: chain D residue 324 LEU Chi-restraints excluded: chain D residue 325 SER Chi-restraints excluded: chain D residue 327 ILE Chi-restraints excluded: chain D residue 331 ILE Chi-restraints excluded: chain D residue 333 ASP Chi-restraints excluded: chain D residue 338 TRP Chi-restraints excluded: chain D residue 339 ASP Chi-restraints excluded: chain D residue 342 LYS Chi-restraints excluded: chain D residue 349 LEU Chi-restraints excluded: chain D residue 351 THR Chi-restraints excluded: chain D residue 352 ILE Chi-restraints excluded: chain D residue 353 ILE Chi-restraints excluded: chain D residue 359 VAL Chi-restraints excluded: chain D residue 365 TYR Chi-restraints excluded: chain D residue 370 ASP Chi-restraints excluded: chain D residue 373 SER Chi-restraints excluded: chain D residue 378 SER Chi-restraints excluded: chain D residue 381 ILE Chi-restraints excluded: chain D residue 383 THR Chi-restraints excluded: chain D residue 384 ILE Chi-restraints excluded: chain D residue 385 LEU Chi-restraints excluded: chain D residue 387 SER Chi-restraints excluded: chain D residue 397 ASP Chi-restraints excluded: chain D residue 398 VAL Chi-restraints excluded: chain D residue 406 HIS Chi-restraints excluded: chain D residue 407 LYS Chi-restraints excluded: chain D residue 408 TYR Chi-restraints excluded: chain D residue 413 LYS Chi-restraints excluded: chain D residue 419 THR Chi-restraints excluded: chain D residue 421 SER Chi-restraints excluded: chain D residue 428 GLU Chi-restraints excluded: chain D residue 431 VAL Chi-restraints excluded: chain D residue 441 ARG Chi-restraints excluded: chain D residue 447 TYR Chi-restraints excluded: chain D residue 451 LYS Chi-restraints excluded: chain D residue 452 THR Chi-restraints excluded: chain D residue 456 ASP Chi-restraints excluded: chain D residue 457 ASP Chi-restraints excluded: chain D residue 462 TYR Chi-restraints excluded: chain D residue 463 LEU Chi-restraints excluded: chain D residue 471 ILE Chi-restraints excluded: chain D residue 478 ILE Chi-restraints excluded: chain D residue 479 GLU Chi-restraints excluded: chain D residue 480 HIS Chi-restraints excluded: chain D residue 489 MET Chi-restraints excluded: chain D residue 494 PHE Chi-restraints excluded: chain D residue 497 LEU Chi-restraints excluded: chain D residue 501 ILE Chi-restraints excluded: chain D residue 526 PRO Chi-restraints excluded: chain D residue 528 ILE Chi-restraints excluded: chain D residue 535 TYR Chi-restraints excluded: chain D residue 536 GLU Chi-restraints excluded: chain D residue 539 VAL Chi-restraints excluded: chain D residue 544 ASP Chi-restraints excluded: chain D residue 549 ILE Chi-restraints excluded: chain D residue 559 THR Chi-restraints excluded: chain D residue 564 ILE Chi-restraints excluded: chain D residue 570 ASP Chi-restraints excluded: chain D residue 573 ILE Chi-restraints excluded: chain D residue 576 GLU Chi-restraints excluded: chain D residue 578 HIS Chi-restraints excluded: chain E residue 11 GLN Chi-restraints excluded: chain E residue 12 TYR Chi-restraints excluded: chain E residue 13 LYS Chi-restraints excluded: chain E residue 15 ILE Chi-restraints excluded: chain E residue 19 PHE Chi-restraints excluded: chain E residue 25 ASP Chi-restraints excluded: chain E residue 26 ASN Chi-restraints excluded: chain E residue 32 VAL Chi-restraints excluded: chain E residue 33 GLN Chi-restraints excluded: chain E residue 34 ASP Chi-restraints excluded: chain E residue 35 MET Chi-restraints excluded: chain E residue 38 SER Chi-restraints excluded: chain E residue 39 ILE Chi-restraints excluded: chain E residue 41 SER Chi-restraints excluded: chain E residue 44 GLU Chi-restraints excluded: chain E residue 50 MET Chi-restraints excluded: chain E residue 51 SER Chi-restraints excluded: chain E residue 58 THR Chi-restraints excluded: chain E residue 65 LEU Chi-restraints excluded: chain E residue 66 LEU Chi-restraints excluded: chain E residue 72 MET Chi-restraints excluded: chain E residue 77 VAL Chi-restraints excluded: chain E residue 80 VAL Chi-restraints excluded: chain E residue 81 LEU Chi-restraints excluded: chain E residue 82 ARG Chi-restraints excluded: chain E residue 83 ILE Chi-restraints excluded: chain E residue 85 TYR Chi-restraints excluded: chain E residue 92 ILE Chi-restraints excluded: chain E residue 94 THR Chi-restraints excluded: chain E residue 97 ARG Chi-restraints excluded: chain E residue 100 SER Chi-restraints excluded: chain E residue 107 ILE Chi-restraints excluded: chain E residue 110 ARG Chi-restraints excluded: chain E residue 122 LYS Chi-restraints excluded: chain E residue 127 ARG Chi-restraints excluded: chain E residue 131 TYR Chi-restraints excluded: chain E residue 135 ARG Chi-restraints excluded: chain E residue 139 LEU Chi-restraints excluded: chain E residue 140 GLU Chi-restraints excluded: chain E residue 141 LEU Chi-restraints excluded: chain E residue 150 ASP Chi-restraints excluded: chain E residue 153 LEU Chi-restraints excluded: chain E residue 157 LYS Chi-restraints excluded: chain E residue 158 THR Chi-restraints excluded: chain E residue 160 VAL Chi-restraints excluded: chain E residue 166 LEU Chi-restraints excluded: chain E residue 167 SER Chi-restraints excluded: chain E residue 188 SER Chi-restraints excluded: chain E residue 191 THR Chi-restraints excluded: chain E residue 193 LEU Chi-restraints excluded: chain E residue 199 LEU Chi-restraints excluded: chain E residue 204 ASP Chi-restraints excluded: chain E residue 208 THR Chi-restraints excluded: chain E residue 219 LEU Chi-restraints excluded: chain E residue 221 ILE Chi-restraints excluded: chain E residue 225 GLN Chi-restraints excluded: chain E residue 234 SER Chi-restraints excluded: chain E residue 246 ASN Chi-restraints excluded: chain E residue 249 ASN Chi-restraints excluded: chain E residue 258 LEU Chi-restraints excluded: chain E residue 262 ILE Chi-restraints excluded: chain E residue 266 THR Chi-restraints excluded: chain E residue 273 ASP Chi-restraints excluded: chain E residue 279 THR Chi-restraints excluded: chain E residue 280 THR Chi-restraints excluded: chain E residue 281 THR Chi-restraints excluded: chain E residue 284 SER Chi-restraints excluded: chain E residue 285 LEU Chi-restraints excluded: chain E residue 288 HIS Chi-restraints excluded: chain E residue 291 THR Chi-restraints excluded: chain E residue 292 LEU Chi-restraints excluded: chain E residue 293 THR Chi-restraints excluded: chain E residue 305 LEU Chi-restraints excluded: chain E residue 321 PRO Chi-restraints excluded: chain E residue 323 ARG Chi-restraints excluded: chain E residue 324 LEU Chi-restraints excluded: chain E residue 325 SER Chi-restraints excluded: chain E residue 326 ILE Chi-restraints excluded: chain E residue 327 ILE Chi-restraints excluded: chain E residue 329 GLU Chi-restraints excluded: chain E residue 331 ILE Chi-restraints excluded: chain E residue 333 ASP Chi-restraints excluded: chain E residue 338 TRP Chi-restraints excluded: chain E residue 339 ASP Chi-restraints excluded: chain E residue 343 HIS Chi-restraints excluded: chain E residue 349 LEU Chi-restraints excluded: chain E residue 351 THR Chi-restraints excluded: chain E residue 352 ILE Chi-restraints excluded: chain E residue 353 ILE Chi-restraints excluded: chain E residue 355 SER Chi-restraints excluded: chain E residue 359 VAL Chi-restraints excluded: chain E residue 365 TYR Chi-restraints excluded: chain E residue 371 ARG Chi-restraints excluded: chain E residue 373 SER Chi-restraints excluded: chain E residue 381 ILE Chi-restraints excluded: chain E residue 383 THR Chi-restraints excluded: chain E residue 384 ILE Chi-restraints excluded: chain E residue 385 LEU Chi-restraints excluded: chain E residue 387 SER Chi-restraints excluded: chain E residue 389 ILE Chi-restraints excluded: chain E residue 397 ASP Chi-restraints excluded: chain E residue 398 VAL Chi-restraints excluded: chain E residue 400 VAL Chi-restraints excluded: chain E residue 406 HIS Chi-restraints excluded: chain E residue 407 LYS Chi-restraints excluded: chain E residue 408 TYR Chi-restraints excluded: chain E residue 413 LYS Chi-restraints excluded: chain E residue 425 ILE Chi-restraints excluded: chain E residue 443 ILE Chi-restraints excluded: chain E residue 447 TYR Chi-restraints excluded: chain E residue 452 THR Chi-restraints excluded: chain E residue 456 ASP Chi-restraints excluded: chain E residue 457 ASP Chi-restraints excluded: chain E residue 462 TYR Chi-restraints excluded: chain E residue 463 LEU Chi-restraints excluded: chain E residue 471 ILE Chi-restraints excluded: chain E residue 475 LEU Chi-restraints excluded: chain E residue 478 ILE Chi-restraints excluded: chain E residue 479 GLU Chi-restraints excluded: chain E residue 480 HIS Chi-restraints excluded: chain E residue 485 THR Chi-restraints excluded: chain E residue 487 PHE Chi-restraints excluded: chain E residue 489 MET Chi-restraints excluded: chain E residue 494 PHE Chi-restraints excluded: chain E residue 497 LEU Chi-restraints excluded: chain E residue 499 GLN Chi-restraints excluded: chain E residue 501 ILE Chi-restraints excluded: chain E residue 516 ASN Chi-restraints excluded: chain E residue 524 TYR Chi-restraints excluded: chain E residue 528 ILE Chi-restraints excluded: chain E residue 536 GLU Chi-restraints excluded: chain E residue 539 VAL Chi-restraints excluded: chain E residue 544 ASP Chi-restraints excluded: chain E residue 564 ILE Chi-restraints excluded: chain E residue 570 ASP Chi-restraints excluded: chain E residue 576 GLU Chi-restraints excluded: chain E residue 580 GLN Chi-restraints excluded: chain F residue 11 GLN Chi-restraints excluded: chain F residue 12 TYR Chi-restraints excluded: chain F residue 13 LYS Chi-restraints excluded: chain F residue 19 PHE Chi-restraints excluded: chain F residue 25 ASP Chi-restraints excluded: chain F residue 33 GLN Chi-restraints excluded: chain F residue 34 ASP Chi-restraints excluded: chain F residue 35 MET Chi-restraints excluded: chain F residue 38 SER Chi-restraints excluded: chain F residue 39 ILE Chi-restraints excluded: chain F residue 40 LEU Chi-restraints excluded: chain F residue 41 SER Chi-restraints excluded: chain F residue 44 GLU Chi-restraints excluded: chain F residue 46 ASP Chi-restraints excluded: chain F residue 51 SER Chi-restraints excluded: chain F residue 58 THR Chi-restraints excluded: chain F residue 74 GLN Chi-restraints excluded: chain F residue 77 VAL Chi-restraints excluded: chain F residue 80 VAL Chi-restraints excluded: chain F residue 81 LEU Chi-restraints excluded: chain F residue 82 ARG Chi-restraints excluded: chain F residue 92 ILE Chi-restraints excluded: chain F residue 93 LYS Chi-restraints excluded: chain F residue 100 SER Chi-restraints excluded: chain F residue 101 MET Chi-restraints excluded: chain F residue 107 ILE Chi-restraints excluded: chain F residue 110 ARG Chi-restraints excluded: chain F residue 116 ASP Chi-restraints excluded: chain F residue 124 ASN Chi-restraints excluded: chain F residue 127 ARG Chi-restraints excluded: chain F residue 131 TYR Chi-restraints excluded: chain F residue 133 LYS Chi-restraints excluded: chain F residue 135 ARG Chi-restraints excluded: chain F residue 141 LEU Chi-restraints excluded: chain F residue 153 LEU Chi-restraints excluded: chain F residue 157 LYS Chi-restraints excluded: chain F residue 158 THR Chi-restraints excluded: chain F residue 160 VAL Chi-restraints excluded: chain F residue 162 LEU Chi-restraints excluded: chain F residue 164 VAL Chi-restraints excluded: chain F residue 166 LEU Chi-restraints excluded: chain F residue 167 SER Chi-restraints excluded: chain F residue 173 LYS Chi-restraints excluded: chain F residue 177 LYS Chi-restraints excluded: chain F residue 179 PHE Chi-restraints excluded: chain F residue 191 THR Chi-restraints excluded: chain F residue 199 LEU Chi-restraints excluded: chain F residue 203 ILE Chi-restraints excluded: chain F residue 204 ASP Chi-restraints excluded: chain F residue 208 THR Chi-restraints excluded: chain F residue 210 ARG Chi-restraints excluded: chain F residue 211 SER Chi-restraints excluded: chain F residue 218 LYS Chi-restraints excluded: chain F residue 221 ILE Chi-restraints excluded: chain F residue 234 SER Chi-restraints excluded: chain F residue 236 PRO Chi-restraints excluded: chain F residue 239 ASN Chi-restraints excluded: chain F residue 242 LEU Chi-restraints excluded: chain F residue 245 LEU Chi-restraints excluded: chain F residue 247 VAL Chi-restraints excluded: chain F residue 249 ASN Chi-restraints excluded: chain F residue 254 ASN Chi-restraints excluded: chain F residue 256 PHE Chi-restraints excluded: chain F residue 258 LEU Chi-restraints excluded: chain F residue 266 THR Chi-restraints excluded: chain F residue 267 ARG Chi-restraints excluded: chain F residue 271 VAL Chi-restraints excluded: chain F residue 273 ASP Chi-restraints excluded: chain F residue 280 THR Chi-restraints excluded: chain F residue 281 THR Chi-restraints excluded: chain F residue 284 SER Chi-restraints excluded: chain F residue 288 HIS Chi-restraints excluded: chain F residue 290 MET Chi-restraints excluded: chain F residue 292 LEU Chi-restraints excluded: chain F residue 293 THR Chi-restraints excluded: chain F residue 297 VAL Chi-restraints excluded: chain F residue 299 SER Chi-restraints excluded: chain F residue 302 LEU Chi-restraints excluded: chain F residue 305 LEU Chi-restraints excluded: chain F residue 307 CYS Chi-restraints excluded: chain F residue 319 THR Chi-restraints excluded: chain F residue 321 PRO Chi-restraints excluded: chain F residue 322 ARG Chi-restraints excluded: chain F residue 323 ARG Chi-restraints excluded: chain F residue 324 LEU Chi-restraints excluded: chain F residue 325 SER Chi-restraints excluded: chain F residue 327 ILE Chi-restraints excluded: chain F residue 331 ILE Chi-restraints excluded: chain F residue 333 ASP Chi-restraints excluded: chain F residue 338 TRP Chi-restraints excluded: chain F residue 339 ASP Chi-restraints excluded: chain F residue 342 LYS Chi-restraints excluded: chain F residue 349 LEU Chi-restraints excluded: chain F residue 351 THR Chi-restraints excluded: chain F residue 352 ILE Chi-restraints excluded: chain F residue 353 ILE Chi-restraints excluded: chain F residue 359 VAL Chi-restraints excluded: chain F residue 365 TYR Chi-restraints excluded: chain F residue 370 ASP Chi-restraints excluded: chain F residue 373 SER Chi-restraints excluded: chain F residue 378 SER Chi-restraints excluded: chain F residue 381 ILE Chi-restraints excluded: chain F residue 383 THR Chi-restraints excluded: chain F residue 384 ILE Chi-restraints excluded: chain F residue 385 LEU Chi-restraints excluded: chain F residue 387 SER Chi-restraints excluded: chain F residue 397 ASP Chi-restraints excluded: chain F residue 398 VAL Chi-restraints excluded: chain F residue 406 HIS Chi-restraints excluded: chain F residue 407 LYS Chi-restraints excluded: chain F residue 408 TYR Chi-restraints excluded: chain F residue 413 LYS Chi-restraints excluded: chain F residue 419 THR Chi-restraints excluded: chain F residue 421 SER Chi-restraints excluded: chain F residue 428 GLU Chi-restraints excluded: chain F residue 431 VAL Chi-restraints excluded: chain F residue 441 ARG Chi-restraints excluded: chain F residue 447 TYR Chi-restraints excluded: chain F residue 451 LYS Chi-restraints excluded: chain F residue 452 THR Chi-restraints excluded: chain F residue 456 ASP Chi-restraints excluded: chain F residue 457 ASP Chi-restraints excluded: chain F residue 462 TYR Chi-restraints excluded: chain F residue 463 LEU Chi-restraints excluded: chain F residue 471 ILE Chi-restraints excluded: chain F residue 478 ILE Chi-restraints excluded: chain F residue 479 GLU Chi-restraints excluded: chain F residue 480 HIS Chi-restraints excluded: chain F residue 489 MET Chi-restraints excluded: chain F residue 494 PHE Chi-restraints excluded: chain F residue 497 LEU Chi-restraints excluded: chain F residue 501 ILE Chi-restraints excluded: chain F residue 526 PRO Chi-restraints excluded: chain F residue 528 ILE Chi-restraints excluded: chain F residue 535 TYR Chi-restraints excluded: chain F residue 536 GLU Chi-restraints excluded: chain F residue 539 VAL Chi-restraints excluded: chain F residue 544 ASP Chi-restraints excluded: chain F residue 549 ILE Chi-restraints excluded: chain F residue 559 THR Chi-restraints excluded: chain F residue 564 ILE Chi-restraints excluded: chain F residue 570 ASP Chi-restraints excluded: chain F residue 573 ILE Chi-restraints excluded: chain F residue 576 GLU Chi-restraints excluded: chain F residue 578 HIS Chi-restraints excluded: chain G residue 11 GLN Chi-restraints excluded: chain G residue 12 TYR Chi-restraints excluded: chain G residue 13 LYS Chi-restraints excluded: chain G residue 15 ILE Chi-restraints excluded: chain G residue 19 PHE Chi-restraints excluded: chain G residue 25 ASP Chi-restraints excluded: chain G residue 26 ASN Chi-restraints excluded: chain G residue 32 VAL Chi-restraints excluded: chain G residue 33 GLN Chi-restraints excluded: chain G residue 34 ASP Chi-restraints excluded: chain G residue 35 MET Chi-restraints excluded: chain G residue 38 SER Chi-restraints excluded: chain G residue 39 ILE Chi-restraints excluded: chain G residue 41 SER Chi-restraints excluded: chain G residue 44 GLU Chi-restraints excluded: chain G residue 50 MET Chi-restraints excluded: chain G residue 51 SER Chi-restraints excluded: chain G residue 58 THR Chi-restraints excluded: chain G residue 65 LEU Chi-restraints excluded: chain G residue 66 LEU Chi-restraints excluded: chain G residue 77 VAL Chi-restraints excluded: chain G residue 80 VAL Chi-restraints excluded: chain G residue 81 LEU Chi-restraints excluded: chain G residue 82 ARG Chi-restraints excluded: chain G residue 83 ILE Chi-restraints excluded: chain G residue 85 TYR Chi-restraints excluded: chain G residue 92 ILE Chi-restraints excluded: chain G residue 94 THR Chi-restraints excluded: chain G residue 97 ARG Chi-restraints excluded: chain G residue 100 SER Chi-restraints excluded: chain G residue 104 ARG Chi-restraints excluded: chain G residue 107 ILE Chi-restraints excluded: chain G residue 110 ARG Chi-restraints excluded: chain G residue 122 LYS Chi-restraints excluded: chain G residue 127 ARG Chi-restraints excluded: chain G residue 131 TYR Chi-restraints excluded: chain G residue 135 ARG Chi-restraints excluded: chain G residue 139 LEU Chi-restraints excluded: chain G residue 140 GLU Chi-restraints excluded: chain G residue 141 LEU Chi-restraints excluded: chain G residue 150 ASP Chi-restraints excluded: chain G residue 153 LEU Chi-restraints excluded: chain G residue 157 LYS Chi-restraints excluded: chain G residue 158 THR Chi-restraints excluded: chain G residue 160 VAL Chi-restraints excluded: chain G residue 166 LEU Chi-restraints excluded: chain G residue 167 SER Chi-restraints excluded: chain G residue 188 SER Chi-restraints excluded: chain G residue 191 THR Chi-restraints excluded: chain G residue 192 VAL Chi-restraints excluded: chain G residue 199 LEU Chi-restraints excluded: chain G residue 204 ASP Chi-restraints excluded: chain G residue 208 THR Chi-restraints excluded: chain G residue 219 LEU Chi-restraints excluded: chain G residue 221 ILE Chi-restraints excluded: chain G residue 225 GLN Chi-restraints excluded: chain G residue 234 SER Chi-restraints excluded: chain G residue 239 ASN Chi-restraints excluded: chain G residue 246 ASN Chi-restraints excluded: chain G residue 249 ASN Chi-restraints excluded: chain G residue 258 LEU Chi-restraints excluded: chain G residue 262 ILE Chi-restraints excluded: chain G residue 266 THR Chi-restraints excluded: chain G residue 273 ASP Chi-restraints excluded: chain G residue 279 THR Chi-restraints excluded: chain G residue 280 THR Chi-restraints excluded: chain G residue 281 THR Chi-restraints excluded: chain G residue 284 SER Chi-restraints excluded: chain G residue 285 LEU Chi-restraints excluded: chain G residue 288 HIS Chi-restraints excluded: chain G residue 291 THR Chi-restraints excluded: chain G residue 292 LEU Chi-restraints excluded: chain G residue 293 THR Chi-restraints excluded: chain G residue 305 LEU Chi-restraints excluded: chain G residue 321 PRO Chi-restraints excluded: chain G residue 323 ARG Chi-restraints excluded: chain G residue 324 LEU Chi-restraints excluded: chain G residue 325 SER Chi-restraints excluded: chain G residue 326 ILE Chi-restraints excluded: chain G residue 327 ILE Chi-restraints excluded: chain G residue 329 GLU Chi-restraints excluded: chain G residue 331 ILE Chi-restraints excluded: chain G residue 333 ASP Chi-restraints excluded: chain G residue 338 TRP Chi-restraints excluded: chain G residue 339 ASP Chi-restraints excluded: chain G residue 343 HIS Chi-restraints excluded: chain G residue 349 LEU Chi-restraints excluded: chain G residue 351 THR Chi-restraints excluded: chain G residue 352 ILE Chi-restraints excluded: chain G residue 353 ILE Chi-restraints excluded: chain G residue 355 SER Chi-restraints excluded: chain G residue 359 VAL Chi-restraints excluded: chain G residue 365 TYR Chi-restraints excluded: chain G residue 371 ARG Chi-restraints excluded: chain G residue 373 SER Chi-restraints excluded: chain G residue 381 ILE Chi-restraints excluded: chain G residue 383 THR Chi-restraints excluded: chain G residue 384 ILE Chi-restraints excluded: chain G residue 385 LEU Chi-restraints excluded: chain G residue 387 SER Chi-restraints excluded: chain G residue 389 ILE Chi-restraints excluded: chain G residue 397 ASP Chi-restraints excluded: chain G residue 398 VAL Chi-restraints excluded: chain G residue 400 VAL Chi-restraints excluded: chain G residue 406 HIS Chi-restraints excluded: chain G residue 407 LYS Chi-restraints excluded: chain G residue 408 TYR Chi-restraints excluded: chain G residue 413 LYS Chi-restraints excluded: chain G residue 425 ILE Chi-restraints excluded: chain G residue 443 ILE Chi-restraints excluded: chain G residue 447 TYR Chi-restraints excluded: chain G residue 452 THR Chi-restraints excluded: chain G residue 456 ASP Chi-restraints excluded: chain G residue 457 ASP Chi-restraints excluded: chain G residue 462 TYR Chi-restraints excluded: chain G residue 463 LEU Chi-restraints excluded: chain G residue 471 ILE Chi-restraints excluded: chain G residue 475 LEU Chi-restraints excluded: chain G residue 478 ILE Chi-restraints excluded: chain G residue 479 GLU Chi-restraints excluded: chain G residue 480 HIS Chi-restraints excluded: chain G residue 485 THR Chi-restraints excluded: chain G residue 487 PHE Chi-restraints excluded: chain G residue 489 MET Chi-restraints excluded: chain G residue 494 PHE Chi-restraints excluded: chain G residue 497 LEU Chi-restraints excluded: chain G residue 499 GLN Chi-restraints excluded: chain G residue 501 ILE Chi-restraints excluded: chain G residue 516 ASN Chi-restraints excluded: chain G residue 524 TYR Chi-restraints excluded: chain G residue 528 ILE Chi-restraints excluded: chain G residue 536 GLU Chi-restraints excluded: chain G residue 538 LEU Chi-restraints excluded: chain G residue 539 VAL Chi-restraints excluded: chain G residue 544 ASP Chi-restraints excluded: chain G residue 564 ILE Chi-restraints excluded: chain G residue 570 ASP Chi-restraints excluded: chain G residue 576 GLU Chi-restraints excluded: chain G residue 580 GLN Chi-restraints excluded: chain H residue 12 TYR Chi-restraints excluded: chain H residue 13 LYS Chi-restraints excluded: chain H residue 25 ASP Chi-restraints excluded: chain H residue 33 GLN Chi-restraints excluded: chain H residue 34 ASP Chi-restraints excluded: chain H residue 38 SER Chi-restraints excluded: chain H residue 39 ILE Chi-restraints excluded: chain H residue 40 LEU Chi-restraints excluded: chain H residue 41 SER Chi-restraints excluded: chain H residue 44 GLU Chi-restraints excluded: chain H residue 46 ASP Chi-restraints excluded: chain H residue 51 SER Chi-restraints excluded: chain H residue 58 THR Chi-restraints excluded: chain H residue 77 VAL Chi-restraints excluded: chain H residue 80 VAL Chi-restraints excluded: chain H residue 81 LEU Chi-restraints excluded: chain H residue 82 ARG Chi-restraints excluded: chain H residue 89 MET Chi-restraints excluded: chain H residue 92 ILE Chi-restraints excluded: chain H residue 93 LYS Chi-restraints excluded: chain H residue 100 SER Chi-restraints excluded: chain H residue 101 MET Chi-restraints excluded: chain H residue 107 ILE Chi-restraints excluded: chain H residue 110 ARG Chi-restraints excluded: chain H residue 116 ASP Chi-restraints excluded: chain H residue 124 ASN Chi-restraints excluded: chain H residue 127 ARG Chi-restraints excluded: chain H residue 131 TYR Chi-restraints excluded: chain H residue 133 LYS Chi-restraints excluded: chain H residue 135 ARG Chi-restraints excluded: chain H residue 141 LEU Chi-restraints excluded: chain H residue 153 LEU Chi-restraints excluded: chain H residue 157 LYS Chi-restraints excluded: chain H residue 158 THR Chi-restraints excluded: chain H residue 160 VAL Chi-restraints excluded: chain H residue 162 LEU Chi-restraints excluded: chain H residue 164 VAL Chi-restraints excluded: chain H residue 166 LEU Chi-restraints excluded: chain H residue 167 SER Chi-restraints excluded: chain H residue 173 LYS Chi-restraints excluded: chain H residue 177 LYS Chi-restraints excluded: chain H residue 179 PHE Chi-restraints excluded: chain H residue 188 SER Chi-restraints excluded: chain H residue 199 LEU Chi-restraints excluded: chain H residue 203 ILE Chi-restraints excluded: chain H residue 204 ASP Chi-restraints excluded: chain H residue 208 THR Chi-restraints excluded: chain H residue 210 ARG Chi-restraints excluded: chain H residue 211 SER Chi-restraints excluded: chain H residue 218 LYS Chi-restraints excluded: chain H residue 221 ILE Chi-restraints excluded: chain H residue 230 ARG Chi-restraints excluded: chain H residue 236 PRO Chi-restraints excluded: chain H residue 239 ASN Chi-restraints excluded: chain H residue 242 LEU Chi-restraints excluded: chain H residue 245 LEU Chi-restraints excluded: chain H residue 247 VAL Chi-restraints excluded: chain H residue 249 ASN Chi-restraints excluded: chain H residue 254 ASN Chi-restraints excluded: chain H residue 256 PHE Chi-restraints excluded: chain H residue 258 LEU Chi-restraints excluded: chain H residue 266 THR Chi-restraints excluded: chain H residue 267 ARG Chi-restraints excluded: chain H residue 271 VAL Chi-restraints excluded: chain H residue 273 ASP Chi-restraints excluded: chain H residue 280 THR Chi-restraints excluded: chain H residue 281 THR Chi-restraints excluded: chain H residue 284 SER Chi-restraints excluded: chain H residue 288 HIS Chi-restraints excluded: chain H residue 290 MET Chi-restraints excluded: chain H residue 292 LEU Chi-restraints excluded: chain H residue 293 THR Chi-restraints excluded: chain H residue 297 VAL Chi-restraints excluded: chain H residue 299 SER Chi-restraints excluded: chain H residue 302 LEU Chi-restraints excluded: chain H residue 305 LEU Chi-restraints excluded: chain H residue 307 CYS Chi-restraints excluded: chain H residue 319 THR Chi-restraints excluded: chain H residue 321 PRO Chi-restraints excluded: chain H residue 322 ARG Chi-restraints excluded: chain H residue 323 ARG Chi-restraints excluded: chain H residue 324 LEU Chi-restraints excluded: chain H residue 325 SER Chi-restraints excluded: chain H residue 327 ILE Chi-restraints excluded: chain H residue 331 ILE Chi-restraints excluded: chain H residue 332 ARG Chi-restraints excluded: chain H residue 333 ASP Chi-restraints excluded: chain H residue 338 TRP Chi-restraints excluded: chain H residue 339 ASP Chi-restraints excluded: chain H residue 342 LYS Chi-restraints excluded: chain H residue 349 LEU Chi-restraints excluded: chain H residue 351 THR Chi-restraints excluded: chain H residue 352 ILE Chi-restraints excluded: chain H residue 353 ILE Chi-restraints excluded: chain H residue 359 VAL Chi-restraints excluded: chain H residue 365 TYR Chi-restraints excluded: chain H residue 370 ASP Chi-restraints excluded: chain H residue 373 SER Chi-restraints excluded: chain H residue 378 SER Chi-restraints excluded: chain H residue 381 ILE Chi-restraints excluded: chain H residue 383 THR Chi-restraints excluded: chain H residue 384 ILE Chi-restraints excluded: chain H residue 385 LEU Chi-restraints excluded: chain H residue 387 SER Chi-restraints excluded: chain H residue 397 ASP Chi-restraints excluded: chain H residue 398 VAL Chi-restraints excluded: chain H residue 406 HIS Chi-restraints excluded: chain H residue 407 LYS Chi-restraints excluded: chain H residue 408 TYR Chi-restraints excluded: chain H residue 413 LYS Chi-restraints excluded: chain H residue 419 THR Chi-restraints excluded: chain H residue 421 SER Chi-restraints excluded: chain H residue 428 GLU Chi-restraints excluded: chain H residue 431 VAL Chi-restraints excluded: chain H residue 446 HIS Chi-restraints excluded: chain H residue 447 TYR Chi-restraints excluded: chain H residue 451 LYS Chi-restraints excluded: chain H residue 452 THR Chi-restraints excluded: chain H residue 456 ASP Chi-restraints excluded: chain H residue 457 ASP Chi-restraints excluded: chain H residue 462 TYR Chi-restraints excluded: chain H residue 463 LEU Chi-restraints excluded: chain H residue 471 ILE Chi-restraints excluded: chain H residue 478 ILE Chi-restraints excluded: chain H residue 479 GLU Chi-restraints excluded: chain H residue 480 HIS Chi-restraints excluded: chain H residue 489 MET Chi-restraints excluded: chain H residue 494 PHE Chi-restraints excluded: chain H residue 497 LEU Chi-restraints excluded: chain H residue 501 ILE Chi-restraints excluded: chain H residue 526 PRO Chi-restraints excluded: chain H residue 528 ILE Chi-restraints excluded: chain H residue 535 TYR Chi-restraints excluded: chain H residue 536 GLU Chi-restraints excluded: chain H residue 539 VAL Chi-restraints excluded: chain H residue 544 ASP Chi-restraints excluded: chain H residue 549 ILE Chi-restraints excluded: chain H residue 559 THR Chi-restraints excluded: chain H residue 564 ILE Chi-restraints excluded: chain H residue 570 ASP Chi-restraints excluded: chain H residue 573 ILE Chi-restraints excluded: chain H residue 576 GLU Chi-restraints excluded: chain H residue 578 HIS Chi-restraints excluded: chain I residue 11 GLN Chi-restraints excluded: chain I residue 12 TYR Chi-restraints excluded: chain I residue 13 LYS Chi-restraints excluded: chain I residue 15 ILE Chi-restraints excluded: chain I residue 19 PHE Chi-restraints excluded: chain I residue 24 VAL Chi-restraints excluded: chain I residue 25 ASP Chi-restraints excluded: chain I residue 26 ASN Chi-restraints excluded: chain I residue 32 VAL Chi-restraints excluded: chain I residue 33 GLN Chi-restraints excluded: chain I residue 34 ASP Chi-restraints excluded: chain I residue 35 MET Chi-restraints excluded: chain I residue 38 SER Chi-restraints excluded: chain I residue 39 ILE Chi-restraints excluded: chain I residue 41 SER Chi-restraints excluded: chain I residue 44 GLU Chi-restraints excluded: chain I residue 50 MET Chi-restraints excluded: chain I residue 51 SER Chi-restraints excluded: chain I residue 58 THR Chi-restraints excluded: chain I residue 65 LEU Chi-restraints excluded: chain I residue 66 LEU Chi-restraints excluded: chain I residue 72 MET Chi-restraints excluded: chain I residue 77 VAL Chi-restraints excluded: chain I residue 80 VAL Chi-restraints excluded: chain I residue 81 LEU Chi-restraints excluded: chain I residue 82 ARG Chi-restraints excluded: chain I residue 83 ILE Chi-restraints excluded: chain I residue 85 TYR Chi-restraints excluded: chain I residue 92 ILE Chi-restraints excluded: chain I residue 94 THR Chi-restraints excluded: chain I residue 97 ARG Chi-restraints excluded: chain I residue 100 SER Chi-restraints excluded: chain I residue 104 ARG Chi-restraints excluded: chain I residue 107 ILE Chi-restraints excluded: chain I residue 110 ARG Chi-restraints excluded: chain I residue 122 LYS Chi-restraints excluded: chain I residue 127 ARG Chi-restraints excluded: chain I residue 131 TYR Chi-restraints excluded: chain I residue 135 ARG Chi-restraints excluded: chain I residue 139 LEU Chi-restraints excluded: chain I residue 140 GLU Chi-restraints excluded: chain I residue 141 LEU Chi-restraints excluded: chain I residue 150 ASP Chi-restraints excluded: chain I residue 153 LEU Chi-restraints excluded: chain I residue 157 LYS Chi-restraints excluded: chain I residue 158 THR Chi-restraints excluded: chain I residue 160 VAL Chi-restraints excluded: chain I residue 166 LEU Chi-restraints excluded: chain I residue 167 SER Chi-restraints excluded: chain I residue 188 SER Chi-restraints excluded: chain I residue 191 THR Chi-restraints excluded: chain I residue 192 VAL Chi-restraints excluded: chain I residue 199 LEU Chi-restraints excluded: chain I residue 204 ASP Chi-restraints excluded: chain I residue 208 THR Chi-restraints excluded: chain I residue 219 LEU Chi-restraints excluded: chain I residue 221 ILE Chi-restraints excluded: chain I residue 225 GLN Chi-restraints excluded: chain I residue 234 SER Chi-restraints excluded: chain I residue 246 ASN Chi-restraints excluded: chain I residue 249 ASN Chi-restraints excluded: chain I residue 258 LEU Chi-restraints excluded: chain I residue 262 ILE Chi-restraints excluded: chain I residue 266 THR Chi-restraints excluded: chain I residue 273 ASP Chi-restraints excluded: chain I residue 275 LEU Chi-restraints excluded: chain I residue 279 THR Chi-restraints excluded: chain I residue 280 THR Chi-restraints excluded: chain I residue 281 THR Chi-restraints excluded: chain I residue 284 SER Chi-restraints excluded: chain I residue 285 LEU Chi-restraints excluded: chain I residue 288 HIS Chi-restraints excluded: chain I residue 291 THR Chi-restraints excluded: chain I residue 292 LEU Chi-restraints excluded: chain I residue 293 THR Chi-restraints excluded: chain I residue 305 LEU Chi-restraints excluded: chain I residue 321 PRO Chi-restraints excluded: chain I residue 324 LEU Chi-restraints excluded: chain I residue 325 SER Chi-restraints excluded: chain I residue 326 ILE Chi-restraints excluded: chain I residue 327 ILE Chi-restraints excluded: chain I residue 329 GLU Chi-restraints excluded: chain I residue 331 ILE Chi-restraints excluded: chain I residue 333 ASP Chi-restraints excluded: chain I residue 338 TRP Chi-restraints excluded: chain I residue 339 ASP Chi-restraints excluded: chain I residue 343 HIS Chi-restraints excluded: chain I residue 349 LEU Chi-restraints excluded: chain I residue 351 THR Chi-restraints excluded: chain I residue 352 ILE Chi-restraints excluded: chain I residue 353 ILE Chi-restraints excluded: chain I residue 355 SER Chi-restraints excluded: chain I residue 359 VAL Chi-restraints excluded: chain I residue 365 TYR Chi-restraints excluded: chain I residue 371 ARG Chi-restraints excluded: chain I residue 373 SER Chi-restraints excluded: chain I residue 381 ILE Chi-restraints excluded: chain I residue 383 THR Chi-restraints excluded: chain I residue 384 ILE Chi-restraints excluded: chain I residue 385 LEU Chi-restraints excluded: chain I residue 387 SER Chi-restraints excluded: chain I residue 389 ILE Chi-restraints excluded: chain I residue 397 ASP Chi-restraints excluded: chain I residue 400 VAL Chi-restraints excluded: chain I residue 406 HIS Chi-restraints excluded: chain I residue 407 LYS Chi-restraints excluded: chain I residue 408 TYR Chi-restraints excluded: chain I residue 413 LYS Chi-restraints excluded: chain I residue 425 ILE Chi-restraints excluded: chain I residue 431 VAL Chi-restraints excluded: chain I residue 443 ILE Chi-restraints excluded: chain I residue 447 TYR Chi-restraints excluded: chain I residue 452 THR Chi-restraints excluded: chain I residue 456 ASP Chi-restraints excluded: chain I residue 457 ASP Chi-restraints excluded: chain I residue 462 TYR Chi-restraints excluded: chain I residue 463 LEU Chi-restraints excluded: chain I residue 471 ILE Chi-restraints excluded: chain I residue 475 LEU Chi-restraints excluded: chain I residue 478 ILE Chi-restraints excluded: chain I residue 479 GLU Chi-restraints excluded: chain I residue 480 HIS Chi-restraints excluded: chain I residue 485 THR Chi-restraints excluded: chain I residue 487 PHE Chi-restraints excluded: chain I residue 489 MET Chi-restraints excluded: chain I residue 494 PHE Chi-restraints excluded: chain I residue 497 LEU Chi-restraints excluded: chain I residue 499 GLN Chi-restraints excluded: chain I residue 501 ILE Chi-restraints excluded: chain I residue 516 ASN Chi-restraints excluded: chain I residue 524 TYR Chi-restraints excluded: chain I residue 528 ILE Chi-restraints excluded: chain I residue 536 GLU Chi-restraints excluded: chain I residue 539 VAL Chi-restraints excluded: chain I residue 544 ASP Chi-restraints excluded: chain I residue 564 ILE Chi-restraints excluded: chain I residue 570 ASP Chi-restraints excluded: chain I residue 576 GLU Chi-restraints excluded: chain I residue 580 GLN Chi-restraints excluded: chain J residue 11 GLN Chi-restraints excluded: chain J residue 12 TYR Chi-restraints excluded: chain J residue 13 LYS Chi-restraints excluded: chain J residue 25 ASP Chi-restraints excluded: chain J residue 33 GLN Chi-restraints excluded: chain J residue 34 ASP Chi-restraints excluded: chain J residue 38 SER Chi-restraints excluded: chain J residue 40 LEU Chi-restraints excluded: chain J residue 41 SER Chi-restraints excluded: chain J residue 44 GLU Chi-restraints excluded: chain J residue 46 ASP Chi-restraints excluded: chain J residue 51 SER Chi-restraints excluded: chain J residue 58 THR Chi-restraints excluded: chain J residue 60 ARG Chi-restraints excluded: chain J residue 76 PHE Chi-restraints excluded: chain J residue 77 VAL Chi-restraints excluded: chain J residue 80 VAL Chi-restraints excluded: chain J residue 82 ARG Chi-restraints excluded: chain J residue 89 MET Chi-restraints excluded: chain J residue 92 ILE Chi-restraints excluded: chain J residue 93 LYS Chi-restraints excluded: chain J residue 100 SER Chi-restraints excluded: chain J residue 101 MET Chi-restraints excluded: chain J residue 107 ILE Chi-restraints excluded: chain J residue 110 ARG Chi-restraints excluded: chain J residue 116 ASP Chi-restraints excluded: chain J residue 127 ARG Chi-restraints excluded: chain J residue 131 TYR Chi-restraints excluded: chain J residue 133 LYS Chi-restraints excluded: chain J residue 135 ARG Chi-restraints excluded: chain J residue 141 LEU Chi-restraints excluded: chain J residue 153 LEU Chi-restraints excluded: chain J residue 157 LYS Chi-restraints excluded: chain J residue 158 THR Chi-restraints excluded: chain J residue 162 LEU Chi-restraints excluded: chain J residue 164 VAL Chi-restraints excluded: chain J residue 166 LEU Chi-restraints excluded: chain J residue 167 SER Chi-restraints excluded: chain J residue 173 LYS Chi-restraints excluded: chain J residue 177 LYS Chi-restraints excluded: chain J residue 179 PHE Chi-restraints excluded: chain J residue 199 LEU Chi-restraints excluded: chain J residue 203 ILE Chi-restraints excluded: chain J residue 204 ASP Chi-restraints excluded: chain J residue 208 THR Chi-restraints excluded: chain J residue 210 ARG Chi-restraints excluded: chain J residue 211 SER Chi-restraints excluded: chain J residue 218 LYS Chi-restraints excluded: chain J residue 221 ILE Chi-restraints excluded: chain J residue 230 ARG Chi-restraints excluded: chain J residue 236 PRO Chi-restraints excluded: chain J residue 239 ASN Chi-restraints excluded: chain J residue 242 LEU Chi-restraints excluded: chain J residue 245 LEU Chi-restraints excluded: chain J residue 247 VAL Chi-restraints excluded: chain J residue 249 ASN Chi-restraints excluded: chain J residue 254 ASN Chi-restraints excluded: chain J residue 256 PHE Chi-restraints excluded: chain J residue 258 LEU Chi-restraints excluded: chain J residue 266 THR Chi-restraints excluded: chain J residue 267 ARG Chi-restraints excluded: chain J residue 271 VAL Chi-restraints excluded: chain J residue 273 ASP Chi-restraints excluded: chain J residue 280 THR Chi-restraints excluded: chain J residue 281 THR Chi-restraints excluded: chain J residue 285 LEU Chi-restraints excluded: chain J residue 288 HIS Chi-restraints excluded: chain J residue 290 MET Chi-restraints excluded: chain J residue 292 LEU Chi-restraints excluded: chain J residue 293 THR Chi-restraints excluded: chain J residue 297 VAL Chi-restraints excluded: chain J residue 299 SER Chi-restraints excluded: chain J residue 302 LEU Chi-restraints excluded: chain J residue 305 LEU Chi-restraints excluded: chain J residue 307 CYS Chi-restraints excluded: chain J residue 319 THR Chi-restraints excluded: chain J residue 321 PRO Chi-restraints excluded: chain J residue 322 ARG Chi-restraints excluded: chain J residue 323 ARG Chi-restraints excluded: chain J residue 324 LEU Chi-restraints excluded: chain J residue 325 SER Chi-restraints excluded: chain J residue 327 ILE Chi-restraints excluded: chain J residue 331 ILE Chi-restraints excluded: chain J residue 332 ARG Chi-restraints excluded: chain J residue 333 ASP Chi-restraints excluded: chain J residue 338 TRP Chi-restraints excluded: chain J residue 339 ASP Chi-restraints excluded: chain J residue 342 LYS Chi-restraints excluded: chain J residue 349 LEU Chi-restraints excluded: chain J residue 351 THR Chi-restraints excluded: chain J residue 352 ILE Chi-restraints excluded: chain J residue 353 ILE Chi-restraints excluded: chain J residue 359 VAL Chi-restraints excluded: chain J residue 365 TYR Chi-restraints excluded: chain J residue 370 ASP Chi-restraints excluded: chain J residue 373 SER Chi-restraints excluded: chain J residue 378 SER Chi-restraints excluded: chain J residue 381 ILE Chi-restraints excluded: chain J residue 383 THR Chi-restraints excluded: chain J residue 384 ILE Chi-restraints excluded: chain J residue 385 LEU Chi-restraints excluded: chain J residue 387 SER Chi-restraints excluded: chain J residue 397 ASP Chi-restraints excluded: chain J residue 398 VAL Chi-restraints excluded: chain J residue 406 HIS Chi-restraints excluded: chain J residue 407 LYS Chi-restraints excluded: chain J residue 408 TYR Chi-restraints excluded: chain J residue 413 LYS Chi-restraints excluded: chain J residue 419 THR Chi-restraints excluded: chain J residue 421 SER Chi-restraints excluded: chain J residue 428 GLU Chi-restraints excluded: chain J residue 431 VAL Chi-restraints excluded: chain J residue 441 ARG Chi-restraints excluded: chain J residue 447 TYR Chi-restraints excluded: chain J residue 451 LYS Chi-restraints excluded: chain J residue 452 THR Chi-restraints excluded: chain J residue 456 ASP Chi-restraints excluded: chain J residue 457 ASP Chi-restraints excluded: chain J residue 462 TYR Chi-restraints excluded: chain J residue 463 LEU Chi-restraints excluded: chain J residue 471 ILE Chi-restraints excluded: chain J residue 478 ILE Chi-restraints excluded: chain J residue 479 GLU Chi-restraints excluded: chain J residue 480 HIS Chi-restraints excluded: chain J residue 489 MET Chi-restraints excluded: chain J residue 494 PHE Chi-restraints excluded: chain J residue 497 LEU Chi-restraints excluded: chain J residue 501 ILE Chi-restraints excluded: chain J residue 522 LYS Chi-restraints excluded: chain J residue 526 PRO Chi-restraints excluded: chain J residue 528 ILE Chi-restraints excluded: chain J residue 535 TYR Chi-restraints excluded: chain J residue 536 GLU Chi-restraints excluded: chain J residue 539 VAL Chi-restraints excluded: chain J residue 544 ASP Chi-restraints excluded: chain J residue 549 ILE Chi-restraints excluded: chain J residue 559 THR Chi-restraints excluded: chain J residue 564 ILE Chi-restraints excluded: chain J residue 570 ASP Chi-restraints excluded: chain J residue 573 ILE Chi-restraints excluded: chain J residue 576 GLU Chi-restraints excluded: chain J residue 578 HIS Chi-restraints excluded: chain K residue 11 GLN Chi-restraints excluded: chain K residue 12 TYR Chi-restraints excluded: chain K residue 13 LYS Chi-restraints excluded: chain K residue 19 PHE Chi-restraints excluded: chain K residue 24 VAL Chi-restraints excluded: chain K residue 25 ASP Chi-restraints excluded: chain K residue 26 ASN Chi-restraints excluded: chain K residue 32 VAL Chi-restraints excluded: chain K residue 33 GLN Chi-restraints excluded: chain K residue 34 ASP Chi-restraints excluded: chain K residue 35 MET Chi-restraints excluded: chain K residue 38 SER Chi-restraints excluded: chain K residue 39 ILE Chi-restraints excluded: chain K residue 41 SER Chi-restraints excluded: chain K residue 44 GLU Chi-restraints excluded: chain K residue 50 MET Chi-restraints excluded: chain K residue 51 SER Chi-restraints excluded: chain K residue 58 THR Chi-restraints excluded: chain K residue 65 LEU Chi-restraints excluded: chain K residue 66 LEU Chi-restraints excluded: chain K residue 72 MET Chi-restraints excluded: chain K residue 77 VAL Chi-restraints excluded: chain K residue 80 VAL Chi-restraints excluded: chain K residue 81 LEU Chi-restraints excluded: chain K residue 82 ARG Chi-restraints excluded: chain K residue 83 ILE Chi-restraints excluded: chain K residue 85 TYR Chi-restraints excluded: chain K residue 92 ILE Chi-restraints excluded: chain K residue 94 THR Chi-restraints excluded: chain K residue 97 ARG Chi-restraints excluded: chain K residue 100 SER Chi-restraints excluded: chain K residue 107 ILE Chi-restraints excluded: chain K residue 110 ARG Chi-restraints excluded: chain K residue 122 LYS Chi-restraints excluded: chain K residue 127 ARG Chi-restraints excluded: chain K residue 131 TYR Chi-restraints excluded: chain K residue 135 ARG Chi-restraints excluded: chain K residue 139 LEU Chi-restraints excluded: chain K residue 140 GLU Chi-restraints excluded: chain K residue 141 LEU Chi-restraints excluded: chain K residue 150 ASP Chi-restraints excluded: chain K residue 153 LEU Chi-restraints excluded: chain K residue 157 LYS Chi-restraints excluded: chain K residue 158 THR Chi-restraints excluded: chain K residue 160 VAL Chi-restraints excluded: chain K residue 166 LEU Chi-restraints excluded: chain K residue 167 SER Chi-restraints excluded: chain K residue 188 SER Chi-restraints excluded: chain K residue 191 THR Chi-restraints excluded: chain K residue 193 LEU Chi-restraints excluded: chain K residue 204 ASP Chi-restraints excluded: chain K residue 208 THR Chi-restraints excluded: chain K residue 219 LEU Chi-restraints excluded: chain K residue 221 ILE Chi-restraints excluded: chain K residue 225 GLN Chi-restraints excluded: chain K residue 234 SER Chi-restraints excluded: chain K residue 241 LEU Chi-restraints excluded: chain K residue 246 ASN Chi-restraints excluded: chain K residue 258 LEU Chi-restraints excluded: chain K residue 262 ILE Chi-restraints excluded: chain K residue 264 LEU Chi-restraints excluded: chain K residue 266 THR Chi-restraints excluded: chain K residue 273 ASP Chi-restraints excluded: chain K residue 279 THR Chi-restraints excluded: chain K residue 280 THR Chi-restraints excluded: chain K residue 281 THR Chi-restraints excluded: chain K residue 284 SER Chi-restraints excluded: chain K residue 285 LEU Chi-restraints excluded: chain K residue 288 HIS Chi-restraints excluded: chain K residue 291 THR Chi-restraints excluded: chain K residue 292 LEU Chi-restraints excluded: chain K residue 293 THR Chi-restraints excluded: chain K residue 305 LEU Chi-restraints excluded: chain K residue 321 PRO Chi-restraints excluded: chain K residue 323 ARG Chi-restraints excluded: chain K residue 324 LEU Chi-restraints excluded: chain K residue 325 SER Chi-restraints excluded: chain K residue 326 ILE Chi-restraints excluded: chain K residue 327 ILE Chi-restraints excluded: chain K residue 329 GLU Chi-restraints excluded: chain K residue 331 ILE Chi-restraints excluded: chain K residue 333 ASP Chi-restraints excluded: chain K residue 338 TRP Chi-restraints excluded: chain K residue 339 ASP Chi-restraints excluded: chain K residue 343 HIS Chi-restraints excluded: chain K residue 349 LEU Chi-restraints excluded: chain K residue 351 THR Chi-restraints excluded: chain K residue 352 ILE Chi-restraints excluded: chain K residue 353 ILE Chi-restraints excluded: chain K residue 355 SER Chi-restraints excluded: chain K residue 359 VAL Chi-restraints excluded: chain K residue 365 TYR Chi-restraints excluded: chain K residue 371 ARG Chi-restraints excluded: chain K residue 373 SER Chi-restraints excluded: chain K residue 381 ILE Chi-restraints excluded: chain K residue 383 THR Chi-restraints excluded: chain K residue 384 ILE Chi-restraints excluded: chain K residue 385 LEU Chi-restraints excluded: chain K residue 387 SER Chi-restraints excluded: chain K residue 389 ILE Chi-restraints excluded: chain K residue 400 VAL Chi-restraints excluded: chain K residue 406 HIS Chi-restraints excluded: chain K residue 407 LYS Chi-restraints excluded: chain K residue 408 TYR Chi-restraints excluded: chain K residue 413 LYS Chi-restraints excluded: chain K residue 425 ILE Chi-restraints excluded: chain K residue 443 ILE Chi-restraints excluded: chain K residue 447 TYR Chi-restraints excluded: chain K residue 452 THR Chi-restraints excluded: chain K residue 456 ASP Chi-restraints excluded: chain K residue 457 ASP Chi-restraints excluded: chain K residue 462 TYR Chi-restraints excluded: chain K residue 463 LEU Chi-restraints excluded: chain K residue 471 ILE Chi-restraints excluded: chain K residue 475 LEU Chi-restraints excluded: chain K residue 478 ILE Chi-restraints excluded: chain K residue 479 GLU Chi-restraints excluded: chain K residue 480 HIS Chi-restraints excluded: chain K residue 485 THR Chi-restraints excluded: chain K residue 487 PHE Chi-restraints excluded: chain K residue 489 MET Chi-restraints excluded: chain K residue 494 PHE Chi-restraints excluded: chain K residue 497 LEU Chi-restraints excluded: chain K residue 499 GLN Chi-restraints excluded: chain K residue 501 ILE Chi-restraints excluded: chain K residue 516 ASN Chi-restraints excluded: chain K residue 524 TYR Chi-restraints excluded: chain K residue 528 ILE Chi-restraints excluded: chain K residue 536 GLU Chi-restraints excluded: chain K residue 538 LEU Chi-restraints excluded: chain K residue 539 VAL Chi-restraints excluded: chain K residue 544 ASP Chi-restraints excluded: chain K residue 564 ILE Chi-restraints excluded: chain K residue 570 ASP Chi-restraints excluded: chain K residue 576 GLU Chi-restraints excluded: chain K residue 580 GLN Chi-restraints excluded: chain L residue 12 TYR Chi-restraints excluded: chain L residue 13 LYS Chi-restraints excluded: chain L residue 19 PHE Chi-restraints excluded: chain L residue 25 ASP Chi-restraints excluded: chain L residue 33 GLN Chi-restraints excluded: chain L residue 34 ASP Chi-restraints excluded: chain L residue 35 MET Chi-restraints excluded: chain L residue 38 SER Chi-restraints excluded: chain L residue 40 LEU Chi-restraints excluded: chain L residue 41 SER Chi-restraints excluded: chain L residue 44 GLU Chi-restraints excluded: chain L residue 46 ASP Chi-restraints excluded: chain L residue 51 SER Chi-restraints excluded: chain L residue 58 THR Chi-restraints excluded: chain L residue 60 ARG Chi-restraints excluded: chain L residue 76 PHE Chi-restraints excluded: chain L residue 77 VAL Chi-restraints excluded: chain L residue 80 VAL Chi-restraints excluded: chain L residue 82 ARG Chi-restraints excluded: chain L residue 93 LYS Chi-restraints excluded: chain L residue 100 SER Chi-restraints excluded: chain L residue 101 MET Chi-restraints excluded: chain L residue 107 ILE Chi-restraints excluded: chain L residue 110 ARG Chi-restraints excluded: chain L residue 116 ASP Chi-restraints excluded: chain L residue 127 ARG Chi-restraints excluded: chain L residue 131 TYR Chi-restraints excluded: chain L residue 133 LYS Chi-restraints excluded: chain L residue 135 ARG Chi-restraints excluded: chain L residue 141 LEU Chi-restraints excluded: chain L residue 157 LYS Chi-restraints excluded: chain L residue 158 THR Chi-restraints excluded: chain L residue 162 LEU Chi-restraints excluded: chain L residue 164 VAL Chi-restraints excluded: chain L residue 166 LEU Chi-restraints excluded: chain L residue 167 SER Chi-restraints excluded: chain L residue 173 LYS Chi-restraints excluded: chain L residue 177 LYS Chi-restraints excluded: chain L residue 179 PHE Chi-restraints excluded: chain L residue 199 LEU Chi-restraints excluded: chain L residue 203 ILE Chi-restraints excluded: chain L residue 204 ASP Chi-restraints excluded: chain L residue 208 THR Chi-restraints excluded: chain L residue 210 ARG Chi-restraints excluded: chain L residue 211 SER Chi-restraints excluded: chain L residue 218 LYS Chi-restraints excluded: chain L residue 221 ILE Chi-restraints excluded: chain L residue 234 SER Chi-restraints excluded: chain L residue 236 PRO Chi-restraints excluded: chain L residue 239 ASN Chi-restraints excluded: chain L residue 242 LEU Chi-restraints excluded: chain L residue 245 LEU Chi-restraints excluded: chain L residue 247 VAL Chi-restraints excluded: chain L residue 249 ASN Chi-restraints excluded: chain L residue 254 ASN Chi-restraints excluded: chain L residue 256 PHE Chi-restraints excluded: chain L residue 258 LEU Chi-restraints excluded: chain L residue 266 THR Chi-restraints excluded: chain L residue 267 ARG Chi-restraints excluded: chain L residue 271 VAL Chi-restraints excluded: chain L residue 273 ASP Chi-restraints excluded: chain L residue 280 THR Chi-restraints excluded: chain L residue 281 THR Chi-restraints excluded: chain L residue 285 LEU Chi-restraints excluded: chain L residue 288 HIS Chi-restraints excluded: chain L residue 290 MET Chi-restraints excluded: chain L residue 292 LEU Chi-restraints excluded: chain L residue 293 THR Chi-restraints excluded: chain L residue 297 VAL Chi-restraints excluded: chain L residue 299 SER Chi-restraints excluded: chain L residue 302 LEU Chi-restraints excluded: chain L residue 305 LEU Chi-restraints excluded: chain L residue 307 CYS Chi-restraints excluded: chain L residue 319 THR Chi-restraints excluded: chain L residue 321 PRO Chi-restraints excluded: chain L residue 322 ARG Chi-restraints excluded: chain L residue 323 ARG Chi-restraints excluded: chain L residue 324 LEU Chi-restraints excluded: chain L residue 325 SER Chi-restraints excluded: chain L residue 327 ILE Chi-restraints excluded: chain L residue 331 ILE Chi-restraints excluded: chain L residue 332 ARG Chi-restraints excluded: chain L residue 333 ASP Chi-restraints excluded: chain L residue 338 TRP Chi-restraints excluded: chain L residue 339 ASP Chi-restraints excluded: chain L residue 342 LYS Chi-restraints excluded: chain L residue 349 LEU Chi-restraints excluded: chain L residue 351 THR Chi-restraints excluded: chain L residue 352 ILE Chi-restraints excluded: chain L residue 353 ILE Chi-restraints excluded: chain L residue 359 VAL Chi-restraints excluded: chain L residue 365 TYR Chi-restraints excluded: chain L residue 370 ASP Chi-restraints excluded: chain L residue 373 SER Chi-restraints excluded: chain L residue 378 SER Chi-restraints excluded: chain L residue 381 ILE Chi-restraints excluded: chain L residue 383 THR Chi-restraints excluded: chain L residue 384 ILE Chi-restraints excluded: chain L residue 385 LEU Chi-restraints excluded: chain L residue 387 SER Chi-restraints excluded: chain L residue 397 ASP Chi-restraints excluded: chain L residue 398 VAL Chi-restraints excluded: chain L residue 406 HIS Chi-restraints excluded: chain L residue 407 LYS Chi-restraints excluded: chain L residue 408 TYR Chi-restraints excluded: chain L residue 413 LYS Chi-restraints excluded: chain L residue 419 THR Chi-restraints excluded: chain L residue 421 SER Chi-restraints excluded: chain L residue 428 GLU Chi-restraints excluded: chain L residue 431 VAL Chi-restraints excluded: chain L residue 441 ARG Chi-restraints excluded: chain L residue 447 TYR Chi-restraints excluded: chain L residue 451 LYS Chi-restraints excluded: chain L residue 452 THR Chi-restraints excluded: chain L residue 456 ASP Chi-restraints excluded: chain L residue 457 ASP Chi-restraints excluded: chain L residue 462 TYR Chi-restraints excluded: chain L residue 463 LEU Chi-restraints excluded: chain L residue 471 ILE Chi-restraints excluded: chain L residue 476 LYS Chi-restraints excluded: chain L residue 478 ILE Chi-restraints excluded: chain L residue 479 GLU Chi-restraints excluded: chain L residue 480 HIS Chi-restraints excluded: chain L residue 489 MET Chi-restraints excluded: chain L residue 494 PHE Chi-restraints excluded: chain L residue 497 LEU Chi-restraints excluded: chain L residue 501 ILE Chi-restraints excluded: chain L residue 528 ILE Chi-restraints excluded: chain L residue 535 TYR Chi-restraints excluded: chain L residue 536 GLU Chi-restraints excluded: chain L residue 539 VAL Chi-restraints excluded: chain L residue 544 ASP Chi-restraints excluded: chain L residue 549 ILE Chi-restraints excluded: chain L residue 559 THR Chi-restraints excluded: chain L residue 564 ILE Chi-restraints excluded: chain L residue 570 ASP Chi-restraints excluded: chain L residue 573 ILE Chi-restraints excluded: chain L residue 576 GLU Chi-restraints excluded: chain L residue 578 HIS Chi-restraints excluded: chain M residue 11 GLN Chi-restraints excluded: chain M residue 12 TYR Chi-restraints excluded: chain M residue 13 LYS Chi-restraints excluded: chain M residue 15 ILE Chi-restraints excluded: chain M residue 19 PHE Chi-restraints excluded: chain M residue 24 VAL Chi-restraints excluded: chain M residue 25 ASP Chi-restraints excluded: chain M residue 26 ASN Chi-restraints excluded: chain M residue 32 VAL Chi-restraints excluded: chain M residue 33 GLN Chi-restraints excluded: chain M residue 34 ASP Chi-restraints excluded: chain M residue 35 MET Chi-restraints excluded: chain M residue 38 SER Chi-restraints excluded: chain M residue 39 ILE Chi-restraints excluded: chain M residue 41 SER Chi-restraints excluded: chain M residue 44 GLU Chi-restraints excluded: chain M residue 50 MET Chi-restraints excluded: chain M residue 51 SER Chi-restraints excluded: chain M residue 58 THR Chi-restraints excluded: chain M residue 65 LEU Chi-restraints excluded: chain M residue 66 LEU Chi-restraints excluded: chain M residue 77 VAL Chi-restraints excluded: chain M residue 80 VAL Chi-restraints excluded: chain M residue 81 LEU Chi-restraints excluded: chain M residue 82 ARG Chi-restraints excluded: chain M residue 83 ILE Chi-restraints excluded: chain M residue 85 TYR Chi-restraints excluded: chain M residue 92 ILE Chi-restraints excluded: chain M residue 94 THR Chi-restraints excluded: chain M residue 97 ARG Chi-restraints excluded: chain M residue 100 SER Chi-restraints excluded: chain M residue 104 ARG Chi-restraints excluded: chain M residue 107 ILE Chi-restraints excluded: chain M residue 110 ARG Chi-restraints excluded: chain M residue 122 LYS Chi-restraints excluded: chain M residue 127 ARG Chi-restraints excluded: chain M residue 131 TYR Chi-restraints excluded: chain M residue 135 ARG Chi-restraints excluded: chain M residue 139 LEU Chi-restraints excluded: chain M residue 140 GLU Chi-restraints excluded: chain M residue 141 LEU Chi-restraints excluded: chain M residue 150 ASP Chi-restraints excluded: chain M residue 153 LEU Chi-restraints excluded: chain M residue 157 LYS Chi-restraints excluded: chain M residue 158 THR Chi-restraints excluded: chain M residue 160 VAL Chi-restraints excluded: chain M residue 166 LEU Chi-restraints excluded: chain M residue 167 SER Chi-restraints excluded: chain M residue 188 SER Chi-restraints excluded: chain M residue 191 THR Chi-restraints excluded: chain M residue 192 VAL Chi-restraints excluded: chain M residue 199 LEU Chi-restraints excluded: chain M residue 204 ASP Chi-restraints excluded: chain M residue 208 THR Chi-restraints excluded: chain M residue 219 LEU Chi-restraints excluded: chain M residue 221 ILE Chi-restraints excluded: chain M residue 225 GLN Chi-restraints excluded: chain M residue 234 SER Chi-restraints excluded: chain M residue 239 ASN Chi-restraints excluded: chain M residue 246 ASN Chi-restraints excluded: chain M residue 249 ASN Chi-restraints excluded: chain M residue 258 LEU Chi-restraints excluded: chain M residue 262 ILE Chi-restraints excluded: chain M residue 266 THR Chi-restraints excluded: chain M residue 273 ASP Chi-restraints excluded: chain M residue 279 THR Chi-restraints excluded: chain M residue 280 THR Chi-restraints excluded: chain M residue 281 THR Chi-restraints excluded: chain M residue 284 SER Chi-restraints excluded: chain M residue 285 LEU Chi-restraints excluded: chain M residue 288 HIS Chi-restraints excluded: chain M residue 291 THR Chi-restraints excluded: chain M residue 292 LEU Chi-restraints excluded: chain M residue 293 THR Chi-restraints excluded: chain M residue 298 LYS Chi-restraints excluded: chain M residue 305 LEU Chi-restraints excluded: chain M residue 321 PRO Chi-restraints excluded: chain M residue 323 ARG Chi-restraints excluded: chain M residue 324 LEU Chi-restraints excluded: chain M residue 325 SER Chi-restraints excluded: chain M residue 326 ILE Chi-restraints excluded: chain M residue 327 ILE Chi-restraints excluded: chain M residue 329 GLU Chi-restraints excluded: chain M residue 331 ILE Chi-restraints excluded: chain M residue 333 ASP Chi-restraints excluded: chain M residue 338 TRP Chi-restraints excluded: chain M residue 339 ASP Chi-restraints excluded: chain M residue 343 HIS Chi-restraints excluded: chain M residue 349 LEU Chi-restraints excluded: chain M residue 351 THR Chi-restraints excluded: chain M residue 352 ILE Chi-restraints excluded: chain M residue 353 ILE Chi-restraints excluded: chain M residue 355 SER Chi-restraints excluded: chain M residue 359 VAL Chi-restraints excluded: chain M residue 365 TYR Chi-restraints excluded: chain M residue 371 ARG Chi-restraints excluded: chain M residue 373 SER Chi-restraints excluded: chain M residue 381 ILE Chi-restraints excluded: chain M residue 383 THR Chi-restraints excluded: chain M residue 384 ILE Chi-restraints excluded: chain M residue 385 LEU Chi-restraints excluded: chain M residue 387 SER Chi-restraints excluded: chain M residue 389 ILE Chi-restraints excluded: chain M residue 397 ASP Chi-restraints excluded: chain M residue 400 VAL Chi-restraints excluded: chain M residue 406 HIS Chi-restraints excluded: chain M residue 407 LYS Chi-restraints excluded: chain M residue 408 TYR Chi-restraints excluded: chain M residue 413 LYS Chi-restraints excluded: chain M residue 425 ILE Chi-restraints excluded: chain M residue 431 VAL Chi-restraints excluded: chain M residue 443 ILE Chi-restraints excluded: chain M residue 447 TYR Chi-restraints excluded: chain M residue 452 THR Chi-restraints excluded: chain M residue 456 ASP Chi-restraints excluded: chain M residue 457 ASP Chi-restraints excluded: chain M residue 462 TYR Chi-restraints excluded: chain M residue 463 LEU Chi-restraints excluded: chain M residue 471 ILE Chi-restraints excluded: chain M residue 475 LEU Chi-restraints excluded: chain M residue 478 ILE Chi-restraints excluded: chain M residue 479 GLU Chi-restraints excluded: chain M residue 480 HIS Chi-restraints excluded: chain M residue 485 THR Chi-restraints excluded: chain M residue 487 PHE Chi-restraints excluded: chain M residue 489 MET Chi-restraints excluded: chain M residue 494 PHE Chi-restraints excluded: chain M residue 497 LEU Chi-restraints excluded: chain M residue 499 GLN Chi-restraints excluded: chain M residue 501 ILE Chi-restraints excluded: chain M residue 516 ASN Chi-restraints excluded: chain M residue 524 TYR Chi-restraints excluded: chain M residue 528 ILE Chi-restraints excluded: chain M residue 536 GLU Chi-restraints excluded: chain M residue 538 LEU Chi-restraints excluded: chain M residue 539 VAL Chi-restraints excluded: chain M residue 544 ASP Chi-restraints excluded: chain M residue 564 ILE Chi-restraints excluded: chain M residue 570 ASP Chi-restraints excluded: chain M residue 576 GLU Chi-restraints excluded: chain M residue 580 GLN Chi-restraints excluded: chain N residue 12 TYR Chi-restraints excluded: chain N residue 13 LYS Chi-restraints excluded: chain N residue 19 PHE Chi-restraints excluded: chain N residue 25 ASP Chi-restraints excluded: chain N residue 33 GLN Chi-restraints excluded: chain N residue 34 ASP Chi-restraints excluded: chain N residue 35 MET Chi-restraints excluded: chain N residue 38 SER Chi-restraints excluded: chain N residue 40 LEU Chi-restraints excluded: chain N residue 41 SER Chi-restraints excluded: chain N residue 44 GLU Chi-restraints excluded: chain N residue 46 ASP Chi-restraints excluded: chain N residue 51 SER Chi-restraints excluded: chain N residue 58 THR Chi-restraints excluded: chain N residue 60 ARG Chi-restraints excluded: chain N residue 77 VAL Chi-restraints excluded: chain N residue 80 VAL Chi-restraints excluded: chain N residue 82 ARG Chi-restraints excluded: chain N residue 92 ILE Chi-restraints excluded: chain N residue 93 LYS Chi-restraints excluded: chain N residue 100 SER Chi-restraints excluded: chain N residue 101 MET Chi-restraints excluded: chain N residue 107 ILE Chi-restraints excluded: chain N residue 110 ARG Chi-restraints excluded: chain N residue 116 ASP Chi-restraints excluded: chain N residue 127 ARG Chi-restraints excluded: chain N residue 131 TYR Chi-restraints excluded: chain N residue 133 LYS Chi-restraints excluded: chain N residue 135 ARG Chi-restraints excluded: chain N residue 141 LEU Chi-restraints excluded: chain N residue 157 LYS Chi-restraints excluded: chain N residue 158 THR Chi-restraints excluded: chain N residue 162 LEU Chi-restraints excluded: chain N residue 164 VAL Chi-restraints excluded: chain N residue 166 LEU Chi-restraints excluded: chain N residue 167 SER Chi-restraints excluded: chain N residue 173 LYS Chi-restraints excluded: chain N residue 177 LYS Chi-restraints excluded: chain N residue 179 PHE Chi-restraints excluded: chain N residue 188 SER Chi-restraints excluded: chain N residue 199 LEU Chi-restraints excluded: chain N residue 203 ILE Chi-restraints excluded: chain N residue 204 ASP Chi-restraints excluded: chain N residue 208 THR Chi-restraints excluded: chain N residue 210 ARG Chi-restraints excluded: chain N residue 211 SER Chi-restraints excluded: chain N residue 218 LYS Chi-restraints excluded: chain N residue 221 ILE Chi-restraints excluded: chain N residue 230 ARG Chi-restraints excluded: chain N residue 236 PRO Chi-restraints excluded: chain N residue 239 ASN Chi-restraints excluded: chain N residue 242 LEU Chi-restraints excluded: chain N residue 245 LEU Chi-restraints excluded: chain N residue 247 VAL Chi-restraints excluded: chain N residue 249 ASN Chi-restraints excluded: chain N residue 254 ASN Chi-restraints excluded: chain N residue 256 PHE Chi-restraints excluded: chain N residue 258 LEU Chi-restraints excluded: chain N residue 266 THR Chi-restraints excluded: chain N residue 267 ARG Chi-restraints excluded: chain N residue 271 VAL Chi-restraints excluded: chain N residue 273 ASP Chi-restraints excluded: chain N residue 279 THR Chi-restraints excluded: chain N residue 280 THR Chi-restraints excluded: chain N residue 281 THR Chi-restraints excluded: chain N residue 284 SER Chi-restraints excluded: chain N residue 288 HIS Chi-restraints excluded: chain N residue 290 MET Chi-restraints excluded: chain N residue 292 LEU Chi-restraints excluded: chain N residue 293 THR Chi-restraints excluded: chain N residue 297 VAL Chi-restraints excluded: chain N residue 299 SER Chi-restraints excluded: chain N residue 302 LEU Chi-restraints excluded: chain N residue 305 LEU Chi-restraints excluded: chain N residue 307 CYS Chi-restraints excluded: chain N residue 319 THR Chi-restraints excluded: chain N residue 321 PRO Chi-restraints excluded: chain N residue 322 ARG Chi-restraints excluded: chain N residue 323 ARG Chi-restraints excluded: chain N residue 324 LEU Chi-restraints excluded: chain N residue 325 SER Chi-restraints excluded: chain N residue 327 ILE Chi-restraints excluded: chain N residue 331 ILE Chi-restraints excluded: chain N residue 332 ARG Chi-restraints excluded: chain N residue 333 ASP Chi-restraints excluded: chain N residue 338 TRP Chi-restraints excluded: chain N residue 339 ASP Chi-restraints excluded: chain N residue 342 LYS Chi-restraints excluded: chain N residue 349 LEU Chi-restraints excluded: chain N residue 351 THR Chi-restraints excluded: chain N residue 352 ILE Chi-restraints excluded: chain N residue 353 ILE Chi-restraints excluded: chain N residue 359 VAL Chi-restraints excluded: chain N residue 365 TYR Chi-restraints excluded: chain N residue 370 ASP Chi-restraints excluded: chain N residue 373 SER Chi-restraints excluded: chain N residue 378 SER Chi-restraints excluded: chain N residue 381 ILE Chi-restraints excluded: chain N residue 383 THR Chi-restraints excluded: chain N residue 384 ILE Chi-restraints excluded: chain N residue 385 LEU Chi-restraints excluded: chain N residue 387 SER Chi-restraints excluded: chain N residue 397 ASP Chi-restraints excluded: chain N residue 398 VAL Chi-restraints excluded: chain N residue 406 HIS Chi-restraints excluded: chain N residue 407 LYS Chi-restraints excluded: chain N residue 408 TYR Chi-restraints excluded: chain N residue 413 LYS Chi-restraints excluded: chain N residue 419 THR Chi-restraints excluded: chain N residue 421 SER Chi-restraints excluded: chain N residue 428 GLU Chi-restraints excluded: chain N residue 431 VAL Chi-restraints excluded: chain N residue 441 ARG Chi-restraints excluded: chain N residue 447 TYR Chi-restraints excluded: chain N residue 451 LYS Chi-restraints excluded: chain N residue 452 THR Chi-restraints excluded: chain N residue 456 ASP Chi-restraints excluded: chain N residue 457 ASP Chi-restraints excluded: chain N residue 462 TYR Chi-restraints excluded: chain N residue 463 LEU Chi-restraints excluded: chain N residue 471 ILE Chi-restraints excluded: chain N residue 478 ILE Chi-restraints excluded: chain N residue 479 GLU Chi-restraints excluded: chain N residue 480 HIS Chi-restraints excluded: chain N residue 489 MET Chi-restraints excluded: chain N residue 494 PHE Chi-restraints excluded: chain N residue 497 LEU Chi-restraints excluded: chain N residue 501 ILE Chi-restraints excluded: chain N residue 526 PRO Chi-restraints excluded: chain N residue 528 ILE Chi-restraints excluded: chain N residue 535 TYR Chi-restraints excluded: chain N residue 536 GLU Chi-restraints excluded: chain N residue 539 VAL Chi-restraints excluded: chain N residue 544 ASP Chi-restraints excluded: chain N residue 549 ILE Chi-restraints excluded: chain N residue 559 THR Chi-restraints excluded: chain N residue 564 ILE Chi-restraints excluded: chain N residue 570 ASP Chi-restraints excluded: chain N residue 573 ILE Chi-restraints excluded: chain N residue 576 GLU Chi-restraints excluded: chain N residue 578 HIS Chi-restraints excluded: chain O residue 11 GLN Chi-restraints excluded: chain O residue 12 TYR Chi-restraints excluded: chain O residue 13 LYS Chi-restraints excluded: chain O residue 15 ILE Chi-restraints excluded: chain O residue 19 PHE Chi-restraints excluded: chain O residue 24 VAL Chi-restraints excluded: chain O residue 25 ASP Chi-restraints excluded: chain O residue 26 ASN Chi-restraints excluded: chain O residue 32 VAL Chi-restraints excluded: chain O residue 33 GLN Chi-restraints excluded: chain O residue 34 ASP Chi-restraints excluded: chain O residue 35 MET Chi-restraints excluded: chain O residue 38 SER Chi-restraints excluded: chain O residue 39 ILE Chi-restraints excluded: chain O residue 41 SER Chi-restraints excluded: chain O residue 44 GLU Chi-restraints excluded: chain O residue 50 MET Chi-restraints excluded: chain O residue 51 SER Chi-restraints excluded: chain O residue 58 THR Chi-restraints excluded: chain O residue 65 LEU Chi-restraints excluded: chain O residue 66 LEU Chi-restraints excluded: chain O residue 72 MET Chi-restraints excluded: chain O residue 77 VAL Chi-restraints excluded: chain O residue 80 VAL Chi-restraints excluded: chain O residue 81 LEU Chi-restraints excluded: chain O residue 82 ARG Chi-restraints excluded: chain O residue 83 ILE Chi-restraints excluded: chain O residue 85 TYR Chi-restraints excluded: chain O residue 92 ILE Chi-restraints excluded: chain O residue 94 THR Chi-restraints excluded: chain O residue 97 ARG Chi-restraints excluded: chain O residue 100 SER Chi-restraints excluded: chain O residue 104 ARG Chi-restraints excluded: chain O residue 107 ILE Chi-restraints excluded: chain O residue 110 ARG Chi-restraints excluded: chain O residue 122 LYS Chi-restraints excluded: chain O residue 127 ARG Chi-restraints excluded: chain O residue 131 TYR Chi-restraints excluded: chain O residue 135 ARG Chi-restraints excluded: chain O residue 139 LEU Chi-restraints excluded: chain O residue 140 GLU Chi-restraints excluded: chain O residue 141 LEU Chi-restraints excluded: chain O residue 150 ASP Chi-restraints excluded: chain O residue 153 LEU Chi-restraints excluded: chain O residue 157 LYS Chi-restraints excluded: chain O residue 158 THR Chi-restraints excluded: chain O residue 160 VAL Chi-restraints excluded: chain O residue 166 LEU Chi-restraints excluded: chain O residue 188 SER Chi-restraints excluded: chain O residue 191 THR Chi-restraints excluded: chain O residue 192 VAL Chi-restraints excluded: chain O residue 199 LEU Chi-restraints excluded: chain O residue 204 ASP Chi-restraints excluded: chain O residue 208 THR Chi-restraints excluded: chain O residue 219 LEU Chi-restraints excluded: chain O residue 221 ILE Chi-restraints excluded: chain O residue 225 GLN Chi-restraints excluded: chain O residue 234 SER Chi-restraints excluded: chain O residue 239 ASN Chi-restraints excluded: chain O residue 246 ASN Chi-restraints excluded: chain O residue 258 LEU Chi-restraints excluded: chain O residue 262 ILE Chi-restraints excluded: chain O residue 266 THR Chi-restraints excluded: chain O residue 273 ASP Chi-restraints excluded: chain O residue 279 THR Chi-restraints excluded: chain O residue 280 THR Chi-restraints excluded: chain O residue 281 THR Chi-restraints excluded: chain O residue 284 SER Chi-restraints excluded: chain O residue 285 LEU Chi-restraints excluded: chain O residue 288 HIS Chi-restraints excluded: chain O residue 291 THR Chi-restraints excluded: chain O residue 292 LEU Chi-restraints excluded: chain O residue 293 THR Chi-restraints excluded: chain O residue 305 LEU Chi-restraints excluded: chain O residue 321 PRO Chi-restraints excluded: chain O residue 323 ARG Chi-restraints excluded: chain O residue 324 LEU Chi-restraints excluded: chain O residue 325 SER Chi-restraints excluded: chain O residue 326 ILE Chi-restraints excluded: chain O residue 327 ILE Chi-restraints excluded: chain O residue 329 GLU Chi-restraints excluded: chain O residue 331 ILE Chi-restraints excluded: chain O residue 333 ASP Chi-restraints excluded: chain O residue 338 TRP Chi-restraints excluded: chain O residue 339 ASP Chi-restraints excluded: chain O residue 343 HIS Chi-restraints excluded: chain O residue 349 LEU Chi-restraints excluded: chain O residue 351 THR Chi-restraints excluded: chain O residue 352 ILE Chi-restraints excluded: chain O residue 353 ILE Chi-restraints excluded: chain O residue 355 SER Chi-restraints excluded: chain O residue 359 VAL Chi-restraints excluded: chain O residue 365 TYR Chi-restraints excluded: chain O residue 371 ARG Chi-restraints excluded: chain O residue 373 SER Chi-restraints excluded: chain O residue 381 ILE Chi-restraints excluded: chain O residue 383 THR Chi-restraints excluded: chain O residue 384 ILE Chi-restraints excluded: chain O residue 385 LEU Chi-restraints excluded: chain O residue 387 SER Chi-restraints excluded: chain O residue 389 ILE Chi-restraints excluded: chain O residue 398 VAL Chi-restraints excluded: chain O residue 400 VAL Chi-restraints excluded: chain O residue 406 HIS Chi-restraints excluded: chain O residue 407 LYS Chi-restraints excluded: chain O residue 408 TYR Chi-restraints excluded: chain O residue 413 LYS Chi-restraints excluded: chain O residue 425 ILE Chi-restraints excluded: chain O residue 431 VAL Chi-restraints excluded: chain O residue 443 ILE Chi-restraints excluded: chain O residue 447 TYR Chi-restraints excluded: chain O residue 452 THR Chi-restraints excluded: chain O residue 456 ASP Chi-restraints excluded: chain O residue 457 ASP Chi-restraints excluded: chain O residue 462 TYR Chi-restraints excluded: chain O residue 463 LEU Chi-restraints excluded: chain O residue 471 ILE Chi-restraints excluded: chain O residue 475 LEU Chi-restraints excluded: chain O residue 478 ILE Chi-restraints excluded: chain O residue 479 GLU Chi-restraints excluded: chain O residue 480 HIS Chi-restraints excluded: chain O residue 485 THR Chi-restraints excluded: chain O residue 487 PHE Chi-restraints excluded: chain O residue 489 MET Chi-restraints excluded: chain O residue 494 PHE Chi-restraints excluded: chain O residue 497 LEU Chi-restraints excluded: chain O residue 499 GLN Chi-restraints excluded: chain O residue 501 ILE Chi-restraints excluded: chain O residue 516 ASN Chi-restraints excluded: chain O residue 524 TYR Chi-restraints excluded: chain O residue 528 ILE Chi-restraints excluded: chain O residue 536 GLU Chi-restraints excluded: chain O residue 538 LEU Chi-restraints excluded: chain O residue 539 VAL Chi-restraints excluded: chain O residue 544 ASP Chi-restraints excluded: chain O residue 564 ILE Chi-restraints excluded: chain O residue 570 ASP Chi-restraints excluded: chain O residue 576 GLU Chi-restraints excluded: chain O residue 580 GLN Chi-restraints excluded: chain P residue 11 GLN Chi-restraints excluded: chain P residue 12 TYR Chi-restraints excluded: chain P residue 13 LYS Chi-restraints excluded: chain P residue 19 PHE Chi-restraints excluded: chain P residue 25 ASP Chi-restraints excluded: chain P residue 33 GLN Chi-restraints excluded: chain P residue 34 ASP Chi-restraints excluded: chain P residue 35 MET Chi-restraints excluded: chain P residue 38 SER Chi-restraints excluded: chain P residue 39 ILE Chi-restraints excluded: chain P residue 40 LEU Chi-restraints excluded: chain P residue 41 SER Chi-restraints excluded: chain P residue 44 GLU Chi-restraints excluded: chain P residue 46 ASP Chi-restraints excluded: chain P residue 51 SER Chi-restraints excluded: chain P residue 58 THR Chi-restraints excluded: chain P residue 60 ARG Chi-restraints excluded: chain P residue 74 GLN Chi-restraints excluded: chain P residue 77 VAL Chi-restraints excluded: chain P residue 80 VAL Chi-restraints excluded: chain P residue 81 LEU Chi-restraints excluded: chain P residue 82 ARG Chi-restraints excluded: chain P residue 92 ILE Chi-restraints excluded: chain P residue 93 LYS Chi-restraints excluded: chain P residue 100 SER Chi-restraints excluded: chain P residue 101 MET Chi-restraints excluded: chain P residue 107 ILE Chi-restraints excluded: chain P residue 110 ARG Chi-restraints excluded: chain P residue 116 ASP Chi-restraints excluded: chain P residue 127 ARG Chi-restraints excluded: chain P residue 131 TYR Chi-restraints excluded: chain P residue 133 LYS Chi-restraints excluded: chain P residue 135 ARG Chi-restraints excluded: chain P residue 141 LEU Chi-restraints excluded: chain P residue 157 LYS Chi-restraints excluded: chain P residue 158 THR Chi-restraints excluded: chain P residue 160 VAL Chi-restraints excluded: chain P residue 162 LEU Chi-restraints excluded: chain P residue 164 VAL Chi-restraints excluded: chain P residue 166 LEU Chi-restraints excluded: chain P residue 167 SER Chi-restraints excluded: chain P residue 173 LYS Chi-restraints excluded: chain P residue 177 LYS Chi-restraints excluded: chain P residue 179 PHE Chi-restraints excluded: chain P residue 188 SER Chi-restraints excluded: chain P residue 199 LEU Chi-restraints excluded: chain P residue 203 ILE Chi-restraints excluded: chain P residue 204 ASP Chi-restraints excluded: chain P residue 208 THR Chi-restraints excluded: chain P residue 210 ARG Chi-restraints excluded: chain P residue 211 SER Chi-restraints excluded: chain P residue 218 LYS Chi-restraints excluded: chain P residue 221 ILE Chi-restraints excluded: chain P residue 230 ARG Chi-restraints excluded: chain P residue 234 SER Chi-restraints excluded: chain P residue 236 PRO Chi-restraints excluded: chain P residue 239 ASN Chi-restraints excluded: chain P residue 242 LEU Chi-restraints excluded: chain P residue 245 LEU Chi-restraints excluded: chain P residue 247 VAL Chi-restraints excluded: chain P residue 249 ASN Chi-restraints excluded: chain P residue 254 ASN Chi-restraints excluded: chain P residue 256 PHE Chi-restraints excluded: chain P residue 258 LEU Chi-restraints excluded: chain P residue 266 THR Chi-restraints excluded: chain P residue 267 ARG Chi-restraints excluded: chain P residue 271 VAL Chi-restraints excluded: chain P residue 273 ASP Chi-restraints excluded: chain P residue 280 THR Chi-restraints excluded: chain P residue 281 THR Chi-restraints excluded: chain P residue 284 SER Chi-restraints excluded: chain P residue 288 HIS Chi-restraints excluded: chain P residue 290 MET Chi-restraints excluded: chain P residue 292 LEU Chi-restraints excluded: chain P residue 293 THR Chi-restraints excluded: chain P residue 297 VAL Chi-restraints excluded: chain P residue 299 SER Chi-restraints excluded: chain P residue 300 LEU Chi-restraints excluded: chain P residue 302 LEU Chi-restraints excluded: chain P residue 305 LEU Chi-restraints excluded: chain P residue 307 CYS Chi-restraints excluded: chain P residue 319 THR Chi-restraints excluded: chain P residue 321 PRO Chi-restraints excluded: chain P residue 322 ARG Chi-restraints excluded: chain P residue 323 ARG Chi-restraints excluded: chain P residue 324 LEU Chi-restraints excluded: chain P residue 325 SER Chi-restraints excluded: chain P residue 327 ILE Chi-restraints excluded: chain P residue 331 ILE Chi-restraints excluded: chain P residue 333 ASP Chi-restraints excluded: chain P residue 338 TRP Chi-restraints excluded: chain P residue 339 ASP Chi-restraints excluded: chain P residue 342 LYS Chi-restraints excluded: chain P residue 349 LEU Chi-restraints excluded: chain P residue 351 THR Chi-restraints excluded: chain P residue 352 ILE Chi-restraints excluded: chain P residue 353 ILE Chi-restraints excluded: chain P residue 359 VAL Chi-restraints excluded: chain P residue 365 TYR Chi-restraints excluded: chain P residue 370 ASP Chi-restraints excluded: chain P residue 373 SER Chi-restraints excluded: chain P residue 378 SER Chi-restraints excluded: chain P residue 381 ILE Chi-restraints excluded: chain P residue 383 THR Chi-restraints excluded: chain P residue 384 ILE Chi-restraints excluded: chain P residue 385 LEU Chi-restraints excluded: chain P residue 387 SER Chi-restraints excluded: chain P residue 397 ASP Chi-restraints excluded: chain P residue 398 VAL Chi-restraints excluded: chain P residue 406 HIS Chi-restraints excluded: chain P residue 407 LYS Chi-restraints excluded: chain P residue 408 TYR Chi-restraints excluded: chain P residue 413 LYS Chi-restraints excluded: chain P residue 419 THR Chi-restraints excluded: chain P residue 421 SER Chi-restraints excluded: chain P residue 428 GLU Chi-restraints excluded: chain P residue 431 VAL Chi-restraints excluded: chain P residue 441 ARG Chi-restraints excluded: chain P residue 447 TYR Chi-restraints excluded: chain P residue 451 LYS Chi-restraints excluded: chain P residue 452 THR Chi-restraints excluded: chain P residue 456 ASP Chi-restraints excluded: chain P residue 457 ASP Chi-restraints excluded: chain P residue 462 TYR Chi-restraints excluded: chain P residue 463 LEU Chi-restraints excluded: chain P residue 471 ILE Chi-restraints excluded: chain P residue 478 ILE Chi-restraints excluded: chain P residue 479 GLU Chi-restraints excluded: chain P residue 480 HIS Chi-restraints excluded: chain P residue 489 MET Chi-restraints excluded: chain P residue 494 PHE Chi-restraints excluded: chain P residue 497 LEU Chi-restraints excluded: chain P residue 501 ILE Chi-restraints excluded: chain P residue 526 PRO Chi-restraints excluded: chain P residue 528 ILE Chi-restraints excluded: chain P residue 535 TYR Chi-restraints excluded: chain P residue 536 GLU Chi-restraints excluded: chain P residue 539 VAL Chi-restraints excluded: chain P residue 544 ASP Chi-restraints excluded: chain P residue 549 ILE Chi-restraints excluded: chain P residue 559 THR Chi-restraints excluded: chain P residue 564 ILE Chi-restraints excluded: chain P residue 570 ASP Chi-restraints excluded: chain P residue 573 ILE Chi-restraints excluded: chain P residue 576 GLU Chi-restraints excluded: chain P residue 578 HIS Chi-restraints excluded: chain Q residue 11 GLN Chi-restraints excluded: chain Q residue 12 TYR Chi-restraints excluded: chain Q residue 13 LYS Chi-restraints excluded: chain Q residue 15 ILE Chi-restraints excluded: chain Q residue 19 PHE Chi-restraints excluded: chain Q residue 24 VAL Chi-restraints excluded: chain Q residue 25 ASP Chi-restraints excluded: chain Q residue 26 ASN Chi-restraints excluded: chain Q residue 32 VAL Chi-restraints excluded: chain Q residue 33 GLN Chi-restraints excluded: chain Q residue 34 ASP Chi-restraints excluded: chain Q residue 35 MET Chi-restraints excluded: chain Q residue 38 SER Chi-restraints excluded: chain Q residue 39 ILE Chi-restraints excluded: chain Q residue 41 SER Chi-restraints excluded: chain Q residue 44 GLU Chi-restraints excluded: chain Q residue 50 MET Chi-restraints excluded: chain Q residue 51 SER Chi-restraints excluded: chain Q residue 58 THR Chi-restraints excluded: chain Q residue 65 LEU Chi-restraints excluded: chain Q residue 66 LEU Chi-restraints excluded: chain Q residue 72 MET Chi-restraints excluded: chain Q residue 77 VAL Chi-restraints excluded: chain Q residue 80 VAL Chi-restraints excluded: chain Q residue 81 LEU Chi-restraints excluded: chain Q residue 82 ARG Chi-restraints excluded: chain Q residue 83 ILE Chi-restraints excluded: chain Q residue 85 TYR Chi-restraints excluded: chain Q residue 92 ILE Chi-restraints excluded: chain Q residue 94 THR Chi-restraints excluded: chain Q residue 97 ARG Chi-restraints excluded: chain Q residue 100 SER Chi-restraints excluded: chain Q residue 107 ILE Chi-restraints excluded: chain Q residue 110 ARG Chi-restraints excluded: chain Q residue 122 LYS Chi-restraints excluded: chain Q residue 127 ARG Chi-restraints excluded: chain Q residue 131 TYR Chi-restraints excluded: chain Q residue 135 ARG Chi-restraints excluded: chain Q residue 139 LEU Chi-restraints excluded: chain Q residue 140 GLU Chi-restraints excluded: chain Q residue 141 LEU Chi-restraints excluded: chain Q residue 150 ASP Chi-restraints excluded: chain Q residue 153 LEU Chi-restraints excluded: chain Q residue 157 LYS Chi-restraints excluded: chain Q residue 158 THR Chi-restraints excluded: chain Q residue 160 VAL Chi-restraints excluded: chain Q residue 166 LEU Chi-restraints excluded: chain Q residue 167 SER Chi-restraints excluded: chain Q residue 188 SER Chi-restraints excluded: chain Q residue 191 THR Chi-restraints excluded: chain Q residue 192 VAL Chi-restraints excluded: chain Q residue 199 LEU Chi-restraints excluded: chain Q residue 204 ASP Chi-restraints excluded: chain Q residue 208 THR Chi-restraints excluded: chain Q residue 219 LEU Chi-restraints excluded: chain Q residue 221 ILE Chi-restraints excluded: chain Q residue 225 GLN Chi-restraints excluded: chain Q residue 234 SER Chi-restraints excluded: chain Q residue 239 ASN Chi-restraints excluded: chain Q residue 246 ASN Chi-restraints excluded: chain Q residue 249 ASN Chi-restraints excluded: chain Q residue 251 LYS Chi-restraints excluded: chain Q residue 258 LEU Chi-restraints excluded: chain Q residue 262 ILE Chi-restraints excluded: chain Q residue 266 THR Chi-restraints excluded: chain Q residue 273 ASP Chi-restraints excluded: chain Q residue 279 THR Chi-restraints excluded: chain Q residue 280 THR Chi-restraints excluded: chain Q residue 281 THR Chi-restraints excluded: chain Q residue 284 SER Chi-restraints excluded: chain Q residue 285 LEU Chi-restraints excluded: chain Q residue 288 HIS Chi-restraints excluded: chain Q residue 291 THR Chi-restraints excluded: chain Q residue 292 LEU Chi-restraints excluded: chain Q residue 293 THR Chi-restraints excluded: chain Q residue 305 LEU Chi-restraints excluded: chain Q residue 321 PRO Chi-restraints excluded: chain Q residue 323 ARG Chi-restraints excluded: chain Q residue 324 LEU Chi-restraints excluded: chain Q residue 325 SER Chi-restraints excluded: chain Q residue 326 ILE Chi-restraints excluded: chain Q residue 327 ILE Chi-restraints excluded: chain Q residue 329 GLU Chi-restraints excluded: chain Q residue 331 ILE Chi-restraints excluded: chain Q residue 333 ASP Chi-restraints excluded: chain Q residue 338 TRP Chi-restraints excluded: chain Q residue 339 ASP Chi-restraints excluded: chain Q residue 343 HIS Chi-restraints excluded: chain Q residue 349 LEU Chi-restraints excluded: chain Q residue 351 THR Chi-restraints excluded: chain Q residue 352 ILE Chi-restraints excluded: chain Q residue 353 ILE Chi-restraints excluded: chain Q residue 355 SER Chi-restraints excluded: chain Q residue 359 VAL Chi-restraints excluded: chain Q residue 365 TYR Chi-restraints excluded: chain Q residue 370 ASP Chi-restraints excluded: chain Q residue 371 ARG Chi-restraints excluded: chain Q residue 373 SER Chi-restraints excluded: chain Q residue 381 ILE Chi-restraints excluded: chain Q residue 383 THR Chi-restraints excluded: chain Q residue 384 ILE Chi-restraints excluded: chain Q residue 385 LEU Chi-restraints excluded: chain Q residue 387 SER Chi-restraints excluded: chain Q residue 389 ILE Chi-restraints excluded: chain Q residue 397 ASP Chi-restraints excluded: chain Q residue 398 VAL Chi-restraints excluded: chain Q residue 400 VAL Chi-restraints excluded: chain Q residue 406 HIS Chi-restraints excluded: chain Q residue 407 LYS Chi-restraints excluded: chain Q residue 408 TYR Chi-restraints excluded: chain Q residue 413 LYS Chi-restraints excluded: chain Q residue 425 ILE Chi-restraints excluded: chain Q residue 443 ILE Chi-restraints excluded: chain Q residue 447 TYR Chi-restraints excluded: chain Q residue 452 THR Chi-restraints excluded: chain Q residue 456 ASP Chi-restraints excluded: chain Q residue 457 ASP Chi-restraints excluded: chain Q residue 462 TYR Chi-restraints excluded: chain Q residue 463 LEU Chi-restraints excluded: chain Q residue 471 ILE Chi-restraints excluded: chain Q residue 475 LEU Chi-restraints excluded: chain Q residue 478 ILE Chi-restraints excluded: chain Q residue 479 GLU Chi-restraints excluded: chain Q residue 480 HIS Chi-restraints excluded: chain Q residue 485 THR Chi-restraints excluded: chain Q residue 487 PHE Chi-restraints excluded: chain Q residue 489 MET Chi-restraints excluded: chain Q residue 494 PHE Chi-restraints excluded: chain Q residue 497 LEU Chi-restraints excluded: chain Q residue 499 GLN Chi-restraints excluded: chain Q residue 501 ILE Chi-restraints excluded: chain Q residue 516 ASN Chi-restraints excluded: chain Q residue 524 TYR Chi-restraints excluded: chain Q residue 528 ILE Chi-restraints excluded: chain Q residue 536 GLU Chi-restraints excluded: chain Q residue 539 VAL Chi-restraints excluded: chain Q residue 544 ASP Chi-restraints excluded: chain Q residue 564 ILE Chi-restraints excluded: chain Q residue 570 ASP Chi-restraints excluded: chain Q residue 576 GLU Chi-restraints excluded: chain Q residue 580 GLN Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 8.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 47 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 47 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 345 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 74 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 47 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 47 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 47 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 47 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 345 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 47 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 414 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 47 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 109 GLN ** Q 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 414 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 1 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7974 moved from start: 1.6350 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.040 0.323 113878 Z= 2.415 Angle : 2.854 35.237 154904 Z= 1.365 Chirality : 0.115 0.610 19294 Planarity : 0.016 0.128 20033 Dihedral : 16.629 173.879 18250 Min Nonbonded Distance : 1.714 Molprobity Statistics. All-atom Clashscore : 102.18 Ramachandran Plot: Outliers : 1.29 % Allowed : 40.30 % Favored : 58.41 % Rotamer: Outliers : 32.24 % Allowed : 26.25 % Favored : 41.51 % Cbeta Deviations : 0.36 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.21 % Twisted Proline : 8.75 % Twisted General : 5.09 % 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: -7.53 (0.06), residues: 8464 helix: -4.75 (0.04), residues: 4752 sheet: -5.19 (0.12), residues: 528 loop : -5.11 (0.09), residues: 3184 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.049 0.010 TRP A 159 HIS 0.027 0.009 HIS D 470 PHE 0.115 0.010 PHE D 87 TYR 0.072 0.009 TYR C 462 ARG 0.028 0.003 ARG D 82 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 16928 Ramachandran restraints generated. 8464 Oldfield, 0 Emsley, 8464 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 16928 Ramachandran restraints generated. 8464 Oldfield, 0 Emsley, 8464 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3308 residues out of total 8256 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2579 poor density : 729 time to evaluate : 7.569 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 35 MET cc_start: 0.8132 (OUTLIER) cc_final: 0.7750 (pmm) REVERT: A 101 MET cc_start: 0.8682 (OUTLIER) cc_final: 0.8110 (tpt) REVERT: A 110 ARG cc_start: 0.9462 (OUTLIER) cc_final: 0.9046 (ttm-80) REVERT: A 131 TYR cc_start: 0.9493 (OUTLIER) cc_final: 0.8730 (t80) REVERT: A 157 LYS cc_start: 0.6541 (OUTLIER) cc_final: 0.3834 (pttm) REVERT: A 210 ARG cc_start: 0.8343 (OUTLIER) cc_final: 0.7690 (tmm160) REVERT: A 307 CYS cc_start: 0.8853 (OUTLIER) cc_final: 0.8017 (p) REVERT: A 327 ILE cc_start: 0.9454 (OUTLIER) cc_final: 0.9165 (mt) REVERT: A 439 LEU cc_start: 0.8913 (mp) cc_final: 0.8642 (tp) REVERT: A 447 TYR cc_start: 0.7456 (OUTLIER) cc_final: 0.6841 (t80) REVERT: A 479 GLU cc_start: 0.5819 (OUTLIER) cc_final: 0.4937 (tt0) REVERT: A 480 HIS cc_start: 0.8196 (OUTLIER) cc_final: 0.7856 (p-80) REVERT: C 12 TYR cc_start: 0.9315 (OUTLIER) cc_final: 0.8304 (t80) REVERT: C 33 GLN cc_start: 0.7714 (OUTLIER) cc_final: 0.6271 (pp30) REVERT: C 65 LEU cc_start: 0.9196 (OUTLIER) cc_final: 0.8719 (tp) REVERT: C 104 ARG cc_start: 0.9061 (OUTLIER) cc_final: 0.8614 (mtm110) REVERT: C 110 ARG cc_start: 0.9455 (OUTLIER) cc_final: 0.8472 (ttm-80) REVERT: C 199 LEU cc_start: 0.9726 (OUTLIER) cc_final: 0.9515 (tp) REVERT: C 249 ASN cc_start: 0.9131 (OUTLIER) cc_final: 0.8904 (p0) REVERT: C 371 ARG cc_start: 0.7538 (OUTLIER) cc_final: 0.7005 (mmm160) REVERT: C 397 ASP cc_start: 0.5748 (OUTLIER) cc_final: 0.5532 (t0) REVERT: C 451 LYS cc_start: 0.5276 (OUTLIER) cc_final: 0.4997 (tptm) REVERT: C 462 TYR cc_start: 0.6332 (OUTLIER) cc_final: 0.4832 (m-10) REVERT: C 479 GLU cc_start: 0.5430 (OUTLIER) cc_final: 0.5025 (tp30) REVERT: C 480 HIS cc_start: 0.8437 (OUTLIER) cc_final: 0.7933 (p-80) REVERT: C 487 PHE cc_start: 0.8017 (OUTLIER) cc_final: 0.7746 (t80) REVERT: C 496 PHE cc_start: 0.0287 (OUTLIER) cc_final: 0.0085 (m-80) REVERT: C 524 TYR cc_start: 0.8229 (OUTLIER) cc_final: 0.7761 (m-80) REVERT: C 580 GLN cc_start: 0.7888 (OUTLIER) cc_final: 0.7388 (mm110) REVERT: D 35 MET cc_start: 0.8211 (OUTLIER) cc_final: 0.7832 (pmm) REVERT: D 101 MET cc_start: 0.8741 (OUTLIER) cc_final: 0.8167 (tpt) REVERT: D 110 ARG cc_start: 0.9459 (OUTLIER) cc_final: 0.9056 (ttm-80) REVERT: D 127 ARG cc_start: 0.9332 (OUTLIER) cc_final: 0.8233 (mtp180) REVERT: D 131 TYR cc_start: 0.9488 (OUTLIER) cc_final: 0.8770 (t80) REVERT: D 133 LYS cc_start: 0.9119 (OUTLIER) cc_final: 0.8693 (tptt) REVERT: D 210 ARG cc_start: 0.8343 (OUTLIER) cc_final: 0.7696 (tmm160) REVERT: D 267 ARG cc_start: 0.9067 (OUTLIER) cc_final: 0.8410 (ttt180) REVERT: D 322 ARG cc_start: 0.9145 (OUTLIER) cc_final: 0.8309 (tpt170) REVERT: D 327 ILE cc_start: 0.9482 (OUTLIER) cc_final: 0.9111 (mt) REVERT: D 439 LEU cc_start: 0.8902 (mp) cc_final: 0.8633 (tp) REVERT: D 446 HIS cc_start: 0.9285 (OUTLIER) cc_final: 0.9080 (m90) REVERT: D 447 TYR cc_start: 0.7464 (OUTLIER) cc_final: 0.6849 (t80) REVERT: D 479 GLU cc_start: 0.5821 (OUTLIER) cc_final: 0.4943 (tt0) REVERT: D 480 HIS cc_start: 0.8199 (OUTLIER) cc_final: 0.7870 (p-80) REVERT: E 12 TYR cc_start: 0.9294 (OUTLIER) cc_final: 0.8298 (t80) REVERT: E 33 GLN cc_start: 0.8072 (OUTLIER) cc_final: 0.7160 (pt0) REVERT: E 65 LEU cc_start: 0.9168 (OUTLIER) cc_final: 0.8677 (tp) REVERT: E 104 ARG cc_start: 0.9059 (OUTLIER) cc_final: 0.8597 (mtm110) REVERT: E 110 ARG cc_start: 0.9451 (OUTLIER) cc_final: 0.8436 (ttm-80) REVERT: E 135 ARG cc_start: 0.9428 (OUTLIER) cc_final: 0.8388 (ttm-80) REVERT: E 249 ASN cc_start: 0.9095 (OUTLIER) cc_final: 0.8879 (p0) REVERT: E 371 ARG cc_start: 0.7539 (OUTLIER) cc_final: 0.7054 (mmm160) REVERT: E 430 LYS cc_start: 0.8823 (tttm) cc_final: 0.8580 (tttm) REVERT: E 462 TYR cc_start: 0.6332 (OUTLIER) cc_final: 0.4827 (m-10) REVERT: E 479 GLU cc_start: 0.5424 (OUTLIER) cc_final: 0.4972 (tp30) REVERT: E 480 HIS cc_start: 0.8436 (OUTLIER) cc_final: 0.7932 (p-80) REVERT: E 487 PHE cc_start: 0.8154 (OUTLIER) cc_final: 0.7711 (t80) REVERT: E 496 PHE cc_start: 0.0396 (OUTLIER) cc_final: 0.0175 (m-80) REVERT: E 580 GLN cc_start: 0.7849 (OUTLIER) cc_final: 0.7464 (mm110) REVERT: F 35 MET cc_start: 0.8366 (OUTLIER) cc_final: 0.7955 (pmm) REVERT: F 39 ILE cc_start: 0.8696 (OUTLIER) cc_final: 0.8494 (tp) REVERT: F 74 GLN cc_start: 0.9473 (OUTLIER) cc_final: 0.9069 (tp40) REVERT: F 101 MET cc_start: 0.8717 (OUTLIER) cc_final: 0.8157 (tpt) REVERT: F 110 ARG cc_start: 0.9457 (OUTLIER) cc_final: 0.9046 (ttm-80) REVERT: F 127 ARG cc_start: 0.9340 (OUTLIER) cc_final: 0.8320 (mtp180) REVERT: F 131 TYR cc_start: 0.9490 (OUTLIER) cc_final: 0.8713 (t80) REVERT: F 133 LYS cc_start: 0.9122 (OUTLIER) cc_final: 0.8698 (tptt) REVERT: F 210 ARG cc_start: 0.8323 (OUTLIER) cc_final: 0.7686 (tmm160) REVERT: F 249 ASN cc_start: 0.9072 (OUTLIER) cc_final: 0.8846 (p0) REVERT: F 267 ARG cc_start: 0.9067 (OUTLIER) cc_final: 0.8417 (ttt180) REVERT: F 322 ARG cc_start: 0.9139 (OUTLIER) cc_final: 0.8300 (tpt170) REVERT: F 327 ILE cc_start: 0.9483 (OUTLIER) cc_final: 0.9111 (mt) REVERT: F 439 LEU cc_start: 0.8906 (mp) cc_final: 0.8638 (tp) REVERT: F 447 TYR cc_start: 0.7465 (OUTLIER) cc_final: 0.6858 (t80) REVERT: F 479 GLU cc_start: 0.5814 (OUTLIER) cc_final: 0.4931 (tt0) REVERT: F 480 HIS cc_start: 0.8193 (OUTLIER) cc_final: 0.7869 (p-80) REVERT: G 12 TYR cc_start: 0.9316 (OUTLIER) cc_final: 0.8292 (t80) REVERT: G 33 GLN cc_start: 0.8079 (OUTLIER) cc_final: 0.7156 (pt0) REVERT: G 65 LEU cc_start: 0.9159 (OUTLIER) cc_final: 0.8679 (tp) REVERT: G 104 ARG cc_start: 0.9173 (OUTLIER) cc_final: 0.8769 (mtm110) REVERT: G 110 ARG cc_start: 0.9453 (OUTLIER) cc_final: 0.8461 (ttm-80) REVERT: G 135 ARG cc_start: 0.9442 (OUTLIER) cc_final: 0.8391 (ttm-80) REVERT: G 371 ARG cc_start: 0.7532 (OUTLIER) cc_final: 0.7042 (mmm160) REVERT: G 430 LYS cc_start: 0.8809 (tttm) cc_final: 0.8316 (tptm) REVERT: G 462 TYR cc_start: 0.6328 (OUTLIER) cc_final: 0.4817 (m-10) REVERT: G 479 GLU cc_start: 0.5412 (OUTLIER) cc_final: 0.4968 (tp30) REVERT: G 480 HIS cc_start: 0.8434 (OUTLIER) cc_final: 0.7927 (p-80) REVERT: G 487 PHE cc_start: 0.8141 (OUTLIER) cc_final: 0.7695 (t80) REVERT: G 496 PHE cc_start: 0.0392 (OUTLIER) cc_final: 0.0180 (m-80) REVERT: G 580 GLN cc_start: 0.7851 (OUTLIER) cc_final: 0.7465 (mm110) REVERT: H 35 MET cc_start: 0.8479 (OUTLIER) cc_final: 0.8153 (pmm) REVERT: H 101 MET cc_start: 0.8706 (OUTLIER) cc_final: 0.8147 (tpt) REVERT: H 110 ARG cc_start: 0.9460 (OUTLIER) cc_final: 0.9031 (ttm-80) REVERT: H 127 ARG cc_start: 0.9327 (OUTLIER) cc_final: 0.8301 (mtp180) REVERT: H 131 TYR cc_start: 0.9487 (OUTLIER) cc_final: 0.8701 (t80) REVERT: H 133 LYS cc_start: 0.9123 (OUTLIER) cc_final: 0.8729 (tptt) REVERT: H 210 ARG cc_start: 0.8342 (OUTLIER) cc_final: 0.7678 (tmm160) REVERT: H 249 ASN cc_start: 0.9052 (OUTLIER) cc_final: 0.8825 (p0) REVERT: H 267 ARG cc_start: 0.9088 (OUTLIER) cc_final: 0.8454 (ttt180) REVERT: H 327 ILE cc_start: 0.9511 (OUTLIER) cc_final: 0.9134 (mt) REVERT: H 332 ARG cc_start: 0.8360 (OUTLIER) cc_final: 0.8156 (tmm-80) REVERT: H 439 LEU cc_start: 0.8904 (mp) cc_final: 0.8633 (tp) REVERT: H 447 TYR cc_start: 0.7450 (OUTLIER) cc_final: 0.6883 (t80) REVERT: H 479 GLU cc_start: 0.5811 (OUTLIER) cc_final: 0.4932 (tt0) REVERT: H 480 HIS cc_start: 0.8195 (OUTLIER) cc_final: 0.7872 (p-80) REVERT: I 12 TYR cc_start: 0.9293 (OUTLIER) cc_final: 0.8304 (t80) REVERT: I 33 GLN cc_start: 0.8091 (OUTLIER) cc_final: 0.7180 (pt0) REVERT: I 65 LEU cc_start: 0.9165 (OUTLIER) cc_final: 0.8670 (tp) REVERT: I 104 ARG cc_start: 0.9093 (OUTLIER) cc_final: 0.8602 (mtm110) REVERT: I 110 ARG cc_start: 0.9459 (OUTLIER) cc_final: 0.8460 (ttm-80) REVERT: I 135 ARG cc_start: 0.9440 (OUTLIER) cc_final: 0.8404 (ttm-80) REVERT: I 199 LEU cc_start: 0.9720 (OUTLIER) cc_final: 0.9515 (tp) REVERT: I 249 ASN cc_start: 0.9135 (OUTLIER) cc_final: 0.8917 (p0) REVERT: I 371 ARG cc_start: 0.7550 (OUTLIER) cc_final: 0.7054 (mmm160) REVERT: I 397 ASP cc_start: 0.5723 (OUTLIER) cc_final: 0.5505 (t0) REVERT: I 462 TYR cc_start: 0.6333 (OUTLIER) cc_final: 0.4827 (m-10) REVERT: I 479 GLU cc_start: 0.5427 (OUTLIER) cc_final: 0.5040 (tp30) REVERT: I 480 HIS cc_start: 0.8433 (OUTLIER) cc_final: 0.7933 (p-80) REVERT: I 487 PHE cc_start: 0.8136 (OUTLIER) cc_final: 0.7705 (t80) REVERT: I 496 PHE cc_start: 0.0396 (OUTLIER) cc_final: 0.0187 (m-80) REVERT: I 580 GLN cc_start: 0.7912 (OUTLIER) cc_final: 0.7481 (mm110) REVERT: J 35 MET cc_start: 0.8490 (OUTLIER) cc_final: 0.8181 (pmm) REVERT: J 101 MET cc_start: 0.8728 (OUTLIER) cc_final: 0.8160 (tpt) REVERT: J 110 ARG cc_start: 0.9466 (OUTLIER) cc_final: 0.9064 (ttm-80) REVERT: J 127 ARG cc_start: 0.9335 (OUTLIER) cc_final: 0.8754 (mtp180) REVERT: J 131 TYR cc_start: 0.9488 (OUTLIER) cc_final: 0.8709 (t80) REVERT: J 133 LYS cc_start: 0.9109 (OUTLIER) cc_final: 0.8724 (tptt) REVERT: J 210 ARG cc_start: 0.8325 (OUTLIER) cc_final: 0.7683 (tmm160) REVERT: J 251 LYS cc_start: 0.9358 (OUTLIER) cc_final: 0.9046 (ttmt) REVERT: J 267 ARG cc_start: 0.9062 (OUTLIER) cc_final: 0.8417 (ttt180) REVERT: J 327 ILE cc_start: 0.9492 (OUTLIER) cc_final: 0.9135 (mt) REVERT: J 332 ARG cc_start: 0.8373 (OUTLIER) cc_final: 0.8157 (tmm-80) REVERT: J 439 LEU cc_start: 0.8901 (mp) cc_final: 0.8635 (tp) REVERT: J 446 HIS cc_start: 0.9286 (OUTLIER) cc_final: 0.9084 (m90) REVERT: J 447 TYR cc_start: 0.7460 (OUTLIER) cc_final: 0.6844 (t80) REVERT: J 479 GLU cc_start: 0.5806 (OUTLIER) cc_final: 0.4890 (tt0) REVERT: J 480 HIS cc_start: 0.8206 (OUTLIER) cc_final: 0.7858 (p-80) REVERT: J 488 ARG cc_start: 0.6674 (mmt180) cc_final: 0.6242 (mmt180) REVERT: J 522 LYS cc_start: 0.8877 (OUTLIER) cc_final: 0.8645 (mmmt) REVERT: K 12 TYR cc_start: 0.9316 (OUTLIER) cc_final: 0.8314 (t80) REVERT: K 33 GLN cc_start: 0.8066 (OUTLIER) cc_final: 0.7144 (pt0) REVERT: K 65 LEU cc_start: 0.9150 (OUTLIER) cc_final: 0.8679 (tp) REVERT: K 85 TYR cc_start: 0.9084 (OUTLIER) cc_final: 0.8578 (m-80) REVERT: K 104 ARG cc_start: 0.9145 (OUTLIER) cc_final: 0.8768 (mtm110) REVERT: K 110 ARG cc_start: 0.9443 (OUTLIER) cc_final: 0.8447 (ttm-80) REVERT: K 135 ARG cc_start: 0.9447 (OUTLIER) cc_final: 0.8404 (ttm-80) REVERT: K 181 LEU cc_start: 0.9470 (OUTLIER) cc_final: 0.9137 (mp) REVERT: K 371 ARG cc_start: 0.7538 (OUTLIER) cc_final: 0.7037 (mmm160) REVERT: K 430 LYS cc_start: 0.8820 (tttm) cc_final: 0.8568 (tttm) REVERT: K 462 TYR cc_start: 0.6333 (OUTLIER) cc_final: 0.4819 (m-10) REVERT: K 479 GLU cc_start: 0.5393 (OUTLIER) cc_final: 0.4938 (tp30) REVERT: K 480 HIS cc_start: 0.8436 (OUTLIER) cc_final: 0.7951 (p-80) REVERT: K 487 PHE cc_start: 0.8162 (OUTLIER) cc_final: 0.7709 (t80) REVERT: K 496 PHE cc_start: 0.0390 (OUTLIER) cc_final: 0.0181 (m-80) REVERT: K 580 GLN cc_start: 0.7918 (OUTLIER) cc_final: 0.7488 (mm110) REVERT: L 35 MET cc_start: 0.8380 (OUTLIER) cc_final: 0.7969 (pmm) REVERT: L 101 MET cc_start: 0.8699 (OUTLIER) cc_final: 0.8118 (tpt) REVERT: L 110 ARG cc_start: 0.9474 (OUTLIER) cc_final: 0.9045 (ttm-80) REVERT: L 127 ARG cc_start: 0.9341 (OUTLIER) cc_final: 0.8734 (mtp180) REVERT: L 131 TYR cc_start: 0.9491 (OUTLIER) cc_final: 0.8718 (t80) REVERT: L 133 LYS cc_start: 0.9100 (OUTLIER) cc_final: 0.8713 (tptt) REVERT: L 210 ARG cc_start: 0.8356 (OUTLIER) cc_final: 0.7698 (tmm160) REVERT: L 267 ARG cc_start: 0.9147 (OUTLIER) cc_final: 0.8621 (ttt180) REVERT: L 327 ILE cc_start: 0.9488 (OUTLIER) cc_final: 0.9129 (mt) REVERT: L 332 ARG cc_start: 0.8362 (OUTLIER) cc_final: 0.8141 (tmm-80) REVERT: L 426 TYR cc_start: 0.8683 (m-80) cc_final: 0.8430 (m-80) REVERT: L 439 LEU cc_start: 0.8908 (mp) cc_final: 0.8638 (tp) REVERT: L 447 TYR cc_start: 0.7458 (OUTLIER) cc_final: 0.6842 (t80) REVERT: L 479 GLU cc_start: 0.5808 (OUTLIER) cc_final: 0.4915 (tt0) REVERT: L 480 HIS cc_start: 0.8187 (OUTLIER) cc_final: 0.7859 (p-80) REVERT: L 488 ARG cc_start: 0.6688 (mmt180) cc_final: 0.6316 (mmt180) REVERT: M 12 TYR cc_start: 0.9326 (OUTLIER) cc_final: 0.8256 (t80) REVERT: M 33 GLN cc_start: 0.8058 (OUTLIER) cc_final: 0.7128 (pt0) REVERT: M 56 SER cc_start: 0.9615 (OUTLIER) cc_final: 0.9362 (t) REVERT: M 65 LEU cc_start: 0.9170 (OUTLIER) cc_final: 0.8668 (tp) REVERT: M 85 TYR cc_start: 0.9102 (OUTLIER) cc_final: 0.8606 (m-80) REVERT: M 110 ARG cc_start: 0.9456 (OUTLIER) cc_final: 0.8467 (ttm-80) REVERT: M 177 LYS cc_start: 0.9185 (OUTLIER) cc_final: 0.8911 (mppt) REVERT: M 199 LEU cc_start: 0.9722 (OUTLIER) cc_final: 0.9516 (tp) REVERT: M 249 ASN cc_start: 0.9088 (OUTLIER) cc_final: 0.8875 (p0) REVERT: M 371 ARG cc_start: 0.7570 (OUTLIER) cc_final: 0.7028 (mmm160) REVERT: M 397 ASP cc_start: 0.5878 (OUTLIER) cc_final: 0.5610 (t0) REVERT: M 462 TYR cc_start: 0.6334 (OUTLIER) cc_final: 0.4831 (m-10) REVERT: M 479 GLU cc_start: 0.5410 (OUTLIER) cc_final: 0.5052 (tp30) REVERT: M 480 HIS cc_start: 0.8453 (OUTLIER) cc_final: 0.7980 (p-80) REVERT: M 487 PHE cc_start: 0.8150 (OUTLIER) cc_final: 0.7679 (t80) REVERT: M 496 PHE cc_start: 0.0392 (OUTLIER) cc_final: 0.0182 (m-80) REVERT: M 580 GLN cc_start: 0.7921 (OUTLIER) cc_final: 0.7491 (mm110) REVERT: N 35 MET cc_start: 0.8394 (OUTLIER) cc_final: 0.8010 (pmm) REVERT: N 101 MET cc_start: 0.8734 (OUTLIER) cc_final: 0.8166 (tpt) REVERT: N 110 ARG cc_start: 0.9469 (OUTLIER) cc_final: 0.9025 (ttm-80) REVERT: N 131 TYR cc_start: 0.9488 (OUTLIER) cc_final: 0.8773 (t80) REVERT: N 133 LYS cc_start: 0.9121 (OUTLIER) cc_final: 0.8786 (tptt) REVERT: N 210 ARG cc_start: 0.8321 (OUTLIER) cc_final: 0.7674 (tmm160) REVERT: N 267 ARG cc_start: 0.9181 (OUTLIER) cc_final: 0.8695 (ttt180) REVERT: N 327 ILE cc_start: 0.9486 (OUTLIER) cc_final: 0.9141 (mt) REVERT: N 439 LEU cc_start: 0.8914 (mp) cc_final: 0.8634 (tp) REVERT: N 446 HIS cc_start: 0.9285 (OUTLIER) cc_final: 0.9077 (m90) REVERT: N 447 TYR cc_start: 0.7460 (OUTLIER) cc_final: 0.6845 (t80) REVERT: N 479 GLU cc_start: 0.5822 (OUTLIER) cc_final: 0.4933 (tt0) REVERT: N 480 HIS cc_start: 0.8200 (OUTLIER) cc_final: 0.7876 (p-80) REVERT: O 12 TYR cc_start: 0.9315 (OUTLIER) cc_final: 0.8267 (t80) REVERT: O 33 GLN cc_start: 0.8061 (OUTLIER) cc_final: 0.7137 (pt0) REVERT: O 56 SER cc_start: 0.9610 (OUTLIER) cc_final: 0.9364 (t) REVERT: O 65 LEU cc_start: 0.9157 (OUTLIER) cc_final: 0.8655 (tp) REVERT: O 85 TYR cc_start: 0.9105 (OUTLIER) cc_final: 0.8606 (m-80) REVERT: O 104 ARG cc_start: 0.9194 (OUTLIER) cc_final: 0.8793 (mtm110) REVERT: O 110 ARG cc_start: 0.9451 (OUTLIER) cc_final: 0.8441 (ttm-80) REVERT: O 135 ARG cc_start: 0.9458 (OUTLIER) cc_final: 0.8401 (ttm-80) REVERT: O 199 LEU cc_start: 0.9723 (OUTLIER) cc_final: 0.9517 (tp) REVERT: O 371 ARG cc_start: 0.7565 (OUTLIER) cc_final: 0.7023 (mmm160) REVERT: O 462 TYR cc_start: 0.6334 (OUTLIER) cc_final: 0.4831 (m-10) REVERT: O 479 GLU cc_start: 0.5418 (OUTLIER) cc_final: 0.4973 (tp30) REVERT: O 480 HIS cc_start: 0.8437 (OUTLIER) cc_final: 0.7933 (p-80) REVERT: O 487 PHE cc_start: 0.8135 (OUTLIER) cc_final: 0.7681 (t80) REVERT: O 496 PHE cc_start: 0.0393 (OUTLIER) cc_final: 0.0191 (m-80) REVERT: O 580 GLN cc_start: 0.7858 (OUTLIER) cc_final: 0.7470 (mm110) REVERT: P 35 MET cc_start: 0.8392 (OUTLIER) cc_final: 0.8006 (pmm) REVERT: P 39 ILE cc_start: 0.8667 (OUTLIER) cc_final: 0.8460 (tp) REVERT: P 74 GLN cc_start: 0.9473 (OUTLIER) cc_final: 0.9087 (tp40) REVERT: P 101 MET cc_start: 0.8721 (OUTLIER) cc_final: 0.8307 (tpt) REVERT: P 104 ARG cc_start: 0.9139 (OUTLIER) cc_final: 0.8838 (mtm110) REVERT: P 110 ARG cc_start: 0.9465 (OUTLIER) cc_final: 0.9044 (ttm-80) REVERT: P 127 ARG cc_start: 0.9342 (OUTLIER) cc_final: 0.8295 (mtp180) REVERT: P 131 TYR cc_start: 0.9489 (OUTLIER) cc_final: 0.8723 (t80) REVERT: P 133 LYS cc_start: 0.9127 (OUTLIER) cc_final: 0.8716 (tptt) REVERT: P 210 ARG cc_start: 0.8328 (OUTLIER) cc_final: 0.7687 (tmm160) REVERT: P 267 ARG cc_start: 0.9185 (OUTLIER) cc_final: 0.8697 (ttt180) REVERT: P 327 ILE cc_start: 0.9477 (OUTLIER) cc_final: 0.9099 (mt) REVERT: P 439 LEU cc_start: 0.8907 (mp) cc_final: 0.8634 (tp) REVERT: P 446 HIS cc_start: 0.9286 (OUTLIER) cc_final: 0.9081 (m90) REVERT: P 447 TYR cc_start: 0.7465 (OUTLIER) cc_final: 0.6852 (t80) REVERT: P 479 GLU cc_start: 0.5826 (OUTLIER) cc_final: 0.4949 (tt0) REVERT: P 480 HIS cc_start: 0.8196 (OUTLIER) cc_final: 0.7879 (p-80) REVERT: Q 12 TYR cc_start: 0.9321 (OUTLIER) cc_final: 0.8289 (t80) REVERT: Q 33 GLN cc_start: 0.8063 (OUTLIER) cc_final: 0.7109 (pt0) REVERT: Q 56 SER cc_start: 0.9597 (OUTLIER) cc_final: 0.9394 (t) REVERT: Q 65 LEU cc_start: 0.9159 (OUTLIER) cc_final: 0.8673 (tp) REVERT: Q 85 TYR cc_start: 0.9099 (OUTLIER) cc_final: 0.8596 (m-80) REVERT: Q 110 ARG cc_start: 0.9457 (OUTLIER) cc_final: 0.8445 (ttm-80) REVERT: Q 135 ARG cc_start: 0.9428 (OUTLIER) cc_final: 0.8438 (ttm-80) REVERT: Q 181 LEU cc_start: 0.9448 (OUTLIER) cc_final: 0.9143 (mp) REVERT: Q 249 ASN cc_start: 0.9121 (OUTLIER) cc_final: 0.8910 (p0) REVERT: Q 371 ARG cc_start: 0.7541 (OUTLIER) cc_final: 0.7053 (mmm160) REVERT: Q 430 LYS cc_start: 0.8802 (tttm) cc_final: 0.8546 (tttm) REVERT: Q 462 TYR cc_start: 0.6346 (OUTLIER) cc_final: 0.4845 (m-10) REVERT: Q 479 GLU cc_start: 0.5416 (OUTLIER) cc_final: 0.5029 (tp30) REVERT: Q 480 HIS cc_start: 0.8437 (OUTLIER) cc_final: 0.7932 (p-80) REVERT: Q 487 PHE cc_start: 0.8132 (OUTLIER) cc_final: 0.7683 (t80) REVERT: Q 580 GLN cc_start: 0.7848 (OUTLIER) cc_final: 0.7447 (mm110) outliers start: 2579 outliers final: 2034 residues processed: 3075 average time/residue: 0.9114 time to fit residues: 4884.7821 Evaluate side-chains 2992 residues out of total 8256 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2269 poor density : 723 time to evaluate : 7.478 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 12 TYR Chi-restraints excluded: chain A residue 13 LYS Chi-restraints excluded: chain A residue 19 PHE Chi-restraints excluded: chain A residue 25 ASP Chi-restraints excluded: chain A residue 33 GLN Chi-restraints excluded: chain A residue 34 ASP Chi-restraints excluded: chain A residue 35 MET Chi-restraints excluded: chain A residue 38 SER Chi-restraints excluded: chain A residue 40 LEU Chi-restraints excluded: chain A residue 41 SER Chi-restraints excluded: chain A residue 44 GLU Chi-restraints excluded: chain A residue 46 ASP Chi-restraints excluded: chain A residue 51 SER Chi-restraints excluded: chain A residue 58 THR Chi-restraints excluded: chain A residue 77 VAL Chi-restraints excluded: chain A residue 80 VAL Chi-restraints excluded: chain A residue 82 ARG Chi-restraints excluded: chain A residue 89 MET Chi-restraints excluded: chain A residue 92 ILE Chi-restraints excluded: chain A residue 93 LYS Chi-restraints excluded: chain A residue 100 SER Chi-restraints excluded: chain A residue 101 MET Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 110 ARG Chi-restraints excluded: chain A residue 116 ASP Chi-restraints excluded: chain A residue 124 ASN Chi-restraints excluded: chain A residue 126 SER Chi-restraints excluded: chain A residue 131 TYR Chi-restraints excluded: chain A residue 135 ARG Chi-restraints excluded: chain A residue 141 LEU Chi-restraints excluded: chain A residue 157 LYS Chi-restraints excluded: chain A residue 158 THR Chi-restraints excluded: chain A residue 162 LEU Chi-restraints excluded: chain A residue 164 VAL Chi-restraints excluded: chain A residue 166 LEU Chi-restraints excluded: chain A residue 167 SER Chi-restraints excluded: chain A residue 173 LYS Chi-restraints excluded: chain A residue 177 LYS Chi-restraints excluded: chain A residue 179 PHE Chi-restraints excluded: chain A residue 188 SER Chi-restraints excluded: chain A residue 193 LEU Chi-restraints excluded: chain A residue 199 LEU Chi-restraints excluded: chain A residue 203 ILE Chi-restraints excluded: chain A residue 204 ASP Chi-restraints excluded: chain A residue 208 THR Chi-restraints excluded: chain A residue 210 ARG Chi-restraints excluded: chain A residue 211 SER Chi-restraints excluded: chain A residue 217 ILE Chi-restraints excluded: chain A residue 218 LYS Chi-restraints excluded: chain A residue 221 ILE Chi-restraints excluded: chain A residue 230 ARG Chi-restraints excluded: chain A residue 236 PRO Chi-restraints excluded: chain A residue 239 ASN Chi-restraints excluded: chain A residue 242 LEU Chi-restraints excluded: chain A residue 245 LEU Chi-restraints excluded: chain A residue 247 VAL Chi-restraints excluded: chain A residue 249 ASN Chi-restraints excluded: chain A residue 254 ASN Chi-restraints excluded: chain A residue 256 PHE Chi-restraints excluded: chain A residue 258 LEU Chi-restraints excluded: chain A residue 266 THR Chi-restraints excluded: chain A residue 271 VAL Chi-restraints excluded: chain A residue 273 ASP Chi-restraints excluded: chain A residue 280 THR Chi-restraints excluded: chain A residue 281 THR Chi-restraints excluded: chain A residue 285 LEU Chi-restraints excluded: chain A residue 288 HIS Chi-restraints excluded: chain A residue 290 MET Chi-restraints excluded: chain A residue 292 LEU Chi-restraints excluded: chain A residue 293 THR Chi-restraints excluded: chain A residue 297 VAL Chi-restraints excluded: chain A residue 299 SER Chi-restraints excluded: chain A residue 307 CYS Chi-restraints excluded: chain A residue 319 THR Chi-restraints excluded: chain A residue 321 PRO Chi-restraints excluded: chain A residue 322 ARG Chi-restraints excluded: chain A residue 323 ARG Chi-restraints excluded: chain A residue 327 ILE Chi-restraints excluded: chain A residue 331 ILE Chi-restraints excluded: chain A residue 333 ASP Chi-restraints excluded: chain A residue 338 TRP Chi-restraints excluded: chain A residue 339 ASP Chi-restraints excluded: chain A residue 342 LYS Chi-restraints excluded: chain A residue 349 LEU Chi-restraints excluded: chain A residue 351 THR Chi-restraints excluded: chain A residue 352 ILE Chi-restraints excluded: chain A residue 353 ILE Chi-restraints excluded: chain A residue 359 VAL Chi-restraints excluded: chain A residue 370 ASP Chi-restraints excluded: chain A residue 373 SER Chi-restraints excluded: chain A residue 378 SER Chi-restraints excluded: chain A residue 381 ILE Chi-restraints excluded: chain A residue 383 THR Chi-restraints excluded: chain A residue 384 ILE Chi-restraints excluded: chain A residue 385 LEU Chi-restraints excluded: chain A residue 387 SER Chi-restraints excluded: chain A residue 397 ASP Chi-restraints excluded: chain A residue 398 VAL Chi-restraints excluded: chain A residue 406 HIS Chi-restraints excluded: chain A residue 407 LYS Chi-restraints excluded: chain A residue 408 TYR Chi-restraints excluded: chain A residue 413 LYS Chi-restraints excluded: chain A residue 419 THR Chi-restraints excluded: chain A residue 421 SER Chi-restraints excluded: chain A residue 428 GLU Chi-restraints excluded: chain A residue 430 LYS Chi-restraints excluded: chain A residue 431 VAL Chi-restraints excluded: chain A residue 441 ARG Chi-restraints excluded: chain A residue 443 ILE Chi-restraints excluded: chain A residue 447 TYR Chi-restraints excluded: chain A residue 451 LYS Chi-restraints excluded: chain A residue 452 THR Chi-restraints excluded: chain A residue 456 ASP Chi-restraints excluded: chain A residue 457 ASP Chi-restraints excluded: chain A residue 462 TYR Chi-restraints excluded: chain A residue 463 LEU Chi-restraints excluded: chain A residue 471 ILE Chi-restraints excluded: chain A residue 478 ILE Chi-restraints excluded: chain A residue 479 GLU Chi-restraints excluded: chain A residue 480 HIS Chi-restraints excluded: chain A residue 486 LEU Chi-restraints excluded: chain A residue 489 MET Chi-restraints excluded: chain A residue 490 VAL Chi-restraints excluded: chain A residue 494 PHE Chi-restraints excluded: chain A residue 497 LEU Chi-restraints excluded: chain A residue 499 GLN Chi-restraints excluded: chain A residue 501 ILE Chi-restraints excluded: chain A residue 528 ILE Chi-restraints excluded: chain A residue 533 PRO Chi-restraints excluded: chain A residue 535 TYR Chi-restraints excluded: chain A residue 536 GLU Chi-restraints excluded: chain A residue 539 VAL Chi-restraints excluded: chain A residue 544 ASP Chi-restraints excluded: chain A residue 549 ILE Chi-restraints excluded: chain A residue 559 THR Chi-restraints excluded: chain A residue 564 ILE Chi-restraints excluded: chain A residue 570 ASP Chi-restraints excluded: chain A residue 573 ILE Chi-restraints excluded: chain A residue 576 GLU Chi-restraints excluded: chain C residue 11 GLN Chi-restraints excluded: chain C residue 12 TYR Chi-restraints excluded: chain C residue 13 LYS Chi-restraints excluded: chain C residue 15 ILE Chi-restraints excluded: chain C residue 19 PHE Chi-restraints excluded: chain C residue 25 ASP Chi-restraints excluded: chain C residue 32 VAL Chi-restraints excluded: chain C residue 33 GLN Chi-restraints excluded: chain C residue 38 SER Chi-restraints excluded: chain C residue 39 ILE Chi-restraints excluded: chain C residue 41 SER Chi-restraints excluded: chain C residue 44 GLU Chi-restraints excluded: chain C residue 50 MET Chi-restraints excluded: chain C residue 51 SER Chi-restraints excluded: chain C residue 58 THR Chi-restraints excluded: chain C residue 65 LEU Chi-restraints excluded: chain C residue 66 LEU Chi-restraints excluded: chain C residue 72 MET Chi-restraints excluded: chain C residue 77 VAL Chi-restraints excluded: chain C residue 80 VAL Chi-restraints excluded: chain C residue 81 LEU Chi-restraints excluded: chain C residue 82 ARG Chi-restraints excluded: chain C residue 83 ILE Chi-restraints excluded: chain C residue 85 TYR Chi-restraints excluded: chain C residue 88 LEU Chi-restraints excluded: chain C residue 92 ILE Chi-restraints excluded: chain C residue 94 THR Chi-restraints excluded: chain C residue 97 ARG Chi-restraints excluded: chain C residue 100 SER Chi-restraints excluded: chain C residue 104 ARG Chi-restraints excluded: chain C residue 107 ILE Chi-restraints excluded: chain C residue 110 ARG Chi-restraints excluded: chain C residue 122 LYS Chi-restraints excluded: chain C residue 127 ARG Chi-restraints excluded: chain C residue 131 TYR Chi-restraints excluded: chain C residue 135 ARG Chi-restraints excluded: chain C residue 139 LEU Chi-restraints excluded: chain C residue 141 LEU Chi-restraints excluded: chain C residue 150 ASP Chi-restraints excluded: chain C residue 153 LEU Chi-restraints excluded: chain C residue 157 LYS Chi-restraints excluded: chain C residue 158 THR Chi-restraints excluded: chain C residue 160 VAL Chi-restraints excluded: chain C residue 166 LEU Chi-restraints excluded: chain C residue 167 SER Chi-restraints excluded: chain C residue 188 SER Chi-restraints excluded: chain C residue 191 THR Chi-restraints excluded: chain C residue 199 LEU Chi-restraints excluded: chain C residue 204 ASP Chi-restraints excluded: chain C residue 208 THR Chi-restraints excluded: chain C residue 219 LEU Chi-restraints excluded: chain C residue 221 ILE Chi-restraints excluded: chain C residue 225 GLN Chi-restraints excluded: chain C residue 234 SER Chi-restraints excluded: chain C residue 239 ASN Chi-restraints excluded: chain C residue 246 ASN Chi-restraints excluded: chain C residue 249 ASN Chi-restraints excluded: chain C residue 251 LYS Chi-restraints excluded: chain C residue 258 LEU Chi-restraints excluded: chain C residue 262 ILE Chi-restraints excluded: chain C residue 266 THR Chi-restraints excluded: chain C residue 273 ASP Chi-restraints excluded: chain C residue 274 PHE Chi-restraints excluded: chain C residue 279 THR Chi-restraints excluded: chain C residue 280 THR Chi-restraints excluded: chain C residue 281 THR Chi-restraints excluded: chain C residue 284 SER Chi-restraints excluded: chain C residue 285 LEU Chi-restraints excluded: chain C residue 288 HIS Chi-restraints excluded: chain C residue 291 THR Chi-restraints excluded: chain C residue 292 LEU Chi-restraints excluded: chain C residue 293 THR Chi-restraints excluded: chain C residue 305 LEU Chi-restraints excluded: chain C residue 321 PRO Chi-restraints excluded: chain C residue 324 LEU Chi-restraints excluded: chain C residue 325 SER Chi-restraints excluded: chain C residue 327 ILE Chi-restraints excluded: chain C residue 329 GLU Chi-restraints excluded: chain C residue 331 ILE Chi-restraints excluded: chain C residue 333 ASP Chi-restraints excluded: chain C residue 338 TRP Chi-restraints excluded: chain C residue 339 ASP Chi-restraints excluded: chain C residue 342 LYS Chi-restraints excluded: chain C residue 343 HIS Chi-restraints excluded: chain C residue 349 LEU Chi-restraints excluded: chain C residue 351 THR Chi-restraints excluded: chain C residue 352 ILE Chi-restraints excluded: chain C residue 353 ILE Chi-restraints excluded: chain C residue 355 SER Chi-restraints excluded: chain C residue 359 VAL Chi-restraints excluded: chain C residue 370 ASP Chi-restraints excluded: chain C residue 371 ARG Chi-restraints excluded: chain C residue 373 SER Chi-restraints excluded: chain C residue 381 ILE Chi-restraints excluded: chain C residue 384 ILE Chi-restraints excluded: chain C residue 385 LEU Chi-restraints excluded: chain C residue 387 SER Chi-restraints excluded: chain C residue 389 ILE Chi-restraints excluded: chain C residue 397 ASP Chi-restraints excluded: chain C residue 398 VAL Chi-restraints excluded: chain C residue 400 VAL Chi-restraints excluded: chain C residue 406 HIS Chi-restraints excluded: chain C residue 407 LYS Chi-restraints excluded: chain C residue 408 TYR Chi-restraints excluded: chain C residue 411 VAL Chi-restraints excluded: chain C residue 413 LYS Chi-restraints excluded: chain C residue 425 ILE Chi-restraints excluded: chain C residue 431 VAL Chi-restraints excluded: chain C residue 447 TYR Chi-restraints excluded: chain C residue 451 LYS Chi-restraints excluded: chain C residue 452 THR Chi-restraints excluded: chain C residue 456 ASP Chi-restraints excluded: chain C residue 457 ASP Chi-restraints excluded: chain C residue 462 TYR Chi-restraints excluded: chain C residue 463 LEU Chi-restraints excluded: chain C residue 471 ILE Chi-restraints excluded: chain C residue 478 ILE Chi-restraints excluded: chain C residue 479 GLU Chi-restraints excluded: chain C residue 480 HIS Chi-restraints excluded: chain C residue 485 THR Chi-restraints excluded: chain C residue 487 PHE Chi-restraints excluded: chain C residue 494 PHE Chi-restraints excluded: chain C residue 495 ARG Chi-restraints excluded: chain C residue 496 PHE Chi-restraints excluded: chain C residue 497 LEU Chi-restraints excluded: chain C residue 499 GLN Chi-restraints excluded: chain C residue 501 ILE Chi-restraints excluded: chain C residue 516 ASN Chi-restraints excluded: chain C residue 524 TYR Chi-restraints excluded: chain C residue 528 ILE Chi-restraints excluded: chain C residue 535 TYR Chi-restraints excluded: chain C residue 536 GLU Chi-restraints excluded: chain C residue 539 VAL Chi-restraints excluded: chain C residue 544 ASP Chi-restraints excluded: chain C residue 549 ILE Chi-restraints excluded: chain C residue 559 THR Chi-restraints excluded: chain C residue 576 GLU Chi-restraints excluded: chain C residue 580 GLN Chi-restraints excluded: chain D residue 12 TYR Chi-restraints excluded: chain D residue 13 LYS Chi-restraints excluded: chain D residue 19 PHE Chi-restraints excluded: chain D residue 25 ASP Chi-restraints excluded: chain D residue 33 GLN Chi-restraints excluded: chain D residue 34 ASP Chi-restraints excluded: chain D residue 35 MET Chi-restraints excluded: chain D residue 38 SER Chi-restraints excluded: chain D residue 40 LEU Chi-restraints excluded: chain D residue 41 SER Chi-restraints excluded: chain D residue 44 GLU Chi-restraints excluded: chain D residue 46 ASP Chi-restraints excluded: chain D residue 50 MET Chi-restraints excluded: chain D residue 51 SER Chi-restraints excluded: chain D residue 58 THR Chi-restraints excluded: chain D residue 60 ARG Chi-restraints excluded: chain D residue 77 VAL Chi-restraints excluded: chain D residue 80 VAL Chi-restraints excluded: chain D residue 82 ARG Chi-restraints excluded: chain D residue 89 MET Chi-restraints excluded: chain D residue 92 ILE Chi-restraints excluded: chain D residue 93 LYS Chi-restraints excluded: chain D residue 100 SER Chi-restraints excluded: chain D residue 101 MET Chi-restraints excluded: chain D residue 107 ILE Chi-restraints excluded: chain D residue 110 ARG Chi-restraints excluded: chain D residue 116 ASP Chi-restraints excluded: chain D residue 124 ASN Chi-restraints excluded: chain D residue 127 ARG Chi-restraints excluded: chain D residue 131 TYR Chi-restraints excluded: chain D residue 133 LYS Chi-restraints excluded: chain D residue 135 ARG Chi-restraints excluded: chain D residue 141 LEU Chi-restraints excluded: chain D residue 153 LEU Chi-restraints excluded: chain D residue 157 LYS Chi-restraints excluded: chain D residue 158 THR Chi-restraints excluded: chain D residue 162 LEU Chi-restraints excluded: chain D residue 164 VAL Chi-restraints excluded: chain D residue 166 LEU Chi-restraints excluded: chain D residue 167 SER Chi-restraints excluded: chain D residue 173 LYS Chi-restraints excluded: chain D residue 177 LYS Chi-restraints excluded: chain D residue 179 PHE Chi-restraints excluded: chain D residue 188 SER Chi-restraints excluded: chain D residue 193 LEU Chi-restraints excluded: chain D residue 199 LEU Chi-restraints excluded: chain D residue 203 ILE Chi-restraints excluded: chain D residue 204 ASP Chi-restraints excluded: chain D residue 208 THR Chi-restraints excluded: chain D residue 210 ARG Chi-restraints excluded: chain D residue 211 SER Chi-restraints excluded: chain D residue 217 ILE Chi-restraints excluded: chain D residue 218 LYS Chi-restraints excluded: chain D residue 221 ILE Chi-restraints excluded: chain D residue 236 PRO Chi-restraints excluded: chain D residue 239 ASN Chi-restraints excluded: chain D residue 242 LEU Chi-restraints excluded: chain D residue 245 LEU Chi-restraints excluded: chain D residue 247 VAL Chi-restraints excluded: chain D residue 249 ASN Chi-restraints excluded: chain D residue 254 ASN Chi-restraints excluded: chain D residue 256 PHE Chi-restraints excluded: chain D residue 258 LEU Chi-restraints excluded: chain D residue 266 THR Chi-restraints excluded: chain D residue 267 ARG Chi-restraints excluded: chain D residue 271 VAL Chi-restraints excluded: chain D residue 273 ASP Chi-restraints excluded: chain D residue 280 THR Chi-restraints excluded: chain D residue 281 THR Chi-restraints excluded: chain D residue 284 SER Chi-restraints excluded: chain D residue 288 HIS Chi-restraints excluded: chain D residue 290 MET Chi-restraints excluded: chain D residue 292 LEU Chi-restraints excluded: chain D residue 293 THR Chi-restraints excluded: chain D residue 297 VAL Chi-restraints excluded: chain D residue 299 SER Chi-restraints excluded: chain D residue 307 CYS Chi-restraints excluded: chain D residue 319 THR Chi-restraints excluded: chain D residue 321 PRO Chi-restraints excluded: chain D residue 322 ARG Chi-restraints excluded: chain D residue 323 ARG Chi-restraints excluded: chain D residue 324 LEU Chi-restraints excluded: chain D residue 325 SER Chi-restraints excluded: chain D residue 327 ILE Chi-restraints excluded: chain D residue 331 ILE Chi-restraints excluded: chain D residue 333 ASP Chi-restraints excluded: chain D residue 338 TRP Chi-restraints excluded: chain D residue 339 ASP Chi-restraints excluded: chain D residue 342 LYS Chi-restraints excluded: chain D residue 349 LEU Chi-restraints excluded: chain D residue 351 THR Chi-restraints excluded: chain D residue 352 ILE Chi-restraints excluded: chain D residue 353 ILE Chi-restraints excluded: chain D residue 359 VAL Chi-restraints excluded: chain D residue 370 ASP Chi-restraints excluded: chain D residue 373 SER Chi-restraints excluded: chain D residue 378 SER Chi-restraints excluded: chain D residue 381 ILE Chi-restraints excluded: chain D residue 383 THR Chi-restraints excluded: chain D residue 384 ILE Chi-restraints excluded: chain D residue 385 LEU Chi-restraints excluded: chain D residue 387 SER Chi-restraints excluded: chain D residue 397 ASP Chi-restraints excluded: chain D residue 398 VAL Chi-restraints excluded: chain D residue 406 HIS Chi-restraints excluded: chain D residue 407 LYS Chi-restraints excluded: chain D residue 408 TYR Chi-restraints excluded: chain D residue 413 LYS Chi-restraints excluded: chain D residue 419 THR Chi-restraints excluded: chain D residue 421 SER Chi-restraints excluded: chain D residue 428 GLU Chi-restraints excluded: chain D residue 431 VAL Chi-restraints excluded: chain D residue 441 ARG Chi-restraints excluded: chain D residue 443 ILE Chi-restraints excluded: chain D residue 446 HIS Chi-restraints excluded: chain D residue 447 TYR Chi-restraints excluded: chain D residue 451 LYS Chi-restraints excluded: chain D residue 452 THR Chi-restraints excluded: chain D residue 456 ASP Chi-restraints excluded: chain D residue 457 ASP Chi-restraints excluded: chain D residue 462 TYR Chi-restraints excluded: chain D residue 463 LEU Chi-restraints excluded: chain D residue 471 ILE Chi-restraints excluded: chain D residue 478 ILE Chi-restraints excluded: chain D residue 479 GLU Chi-restraints excluded: chain D residue 480 HIS Chi-restraints excluded: chain D residue 486 LEU Chi-restraints excluded: chain D residue 489 MET Chi-restraints excluded: chain D residue 490 VAL Chi-restraints excluded: chain D residue 494 PHE Chi-restraints excluded: chain D residue 497 LEU Chi-restraints excluded: chain D residue 499 GLN Chi-restraints excluded: chain D residue 501 ILE Chi-restraints excluded: chain D residue 528 ILE Chi-restraints excluded: chain D residue 533 PRO Chi-restraints excluded: chain D residue 535 TYR Chi-restraints excluded: chain D residue 536 GLU Chi-restraints excluded: chain D residue 539 VAL Chi-restraints excluded: chain D residue 544 ASP Chi-restraints excluded: chain D residue 549 ILE Chi-restraints excluded: chain D residue 559 THR Chi-restraints excluded: chain D residue 564 ILE Chi-restraints excluded: chain D residue 570 ASP Chi-restraints excluded: chain D residue 573 ILE Chi-restraints excluded: chain D residue 576 GLU Chi-restraints excluded: chain E residue 11 GLN Chi-restraints excluded: chain E residue 12 TYR Chi-restraints excluded: chain E residue 13 LYS Chi-restraints excluded: chain E residue 15 ILE Chi-restraints excluded: chain E residue 19 PHE Chi-restraints excluded: chain E residue 25 ASP Chi-restraints excluded: chain E residue 32 VAL Chi-restraints excluded: chain E residue 33 GLN Chi-restraints excluded: chain E residue 34 ASP Chi-restraints excluded: chain E residue 35 MET Chi-restraints excluded: chain E residue 38 SER Chi-restraints excluded: chain E residue 39 ILE Chi-restraints excluded: chain E residue 41 SER Chi-restraints excluded: chain E residue 44 GLU Chi-restraints excluded: chain E residue 50 MET Chi-restraints excluded: chain E residue 51 SER Chi-restraints excluded: chain E residue 58 THR Chi-restraints excluded: chain E residue 65 LEU Chi-restraints excluded: chain E residue 66 LEU Chi-restraints excluded: chain E residue 72 MET Chi-restraints excluded: chain E residue 77 VAL Chi-restraints excluded: chain E residue 79 GLU Chi-restraints excluded: chain E residue 80 VAL Chi-restraints excluded: chain E residue 81 LEU Chi-restraints excluded: chain E residue 82 ARG Chi-restraints excluded: chain E residue 83 ILE Chi-restraints excluded: chain E residue 85 TYR Chi-restraints excluded: chain E residue 92 ILE Chi-restraints excluded: chain E residue 94 THR Chi-restraints excluded: chain E residue 97 ARG Chi-restraints excluded: chain E residue 100 SER Chi-restraints excluded: chain E residue 103 THR Chi-restraints excluded: chain E residue 104 ARG Chi-restraints excluded: chain E residue 107 ILE Chi-restraints excluded: chain E residue 110 ARG Chi-restraints excluded: chain E residue 122 LYS Chi-restraints excluded: chain E residue 127 ARG Chi-restraints excluded: chain E residue 131 TYR Chi-restraints excluded: chain E residue 135 ARG Chi-restraints excluded: chain E residue 139 LEU Chi-restraints excluded: chain E residue 141 LEU Chi-restraints excluded: chain E residue 150 ASP Chi-restraints excluded: chain E residue 153 LEU Chi-restraints excluded: chain E residue 157 LYS Chi-restraints excluded: chain E residue 158 THR Chi-restraints excluded: chain E residue 160 VAL Chi-restraints excluded: chain E residue 166 LEU Chi-restraints excluded: chain E residue 167 SER Chi-restraints excluded: chain E residue 188 SER Chi-restraints excluded: chain E residue 191 THR Chi-restraints excluded: chain E residue 204 ASP Chi-restraints excluded: chain E residue 208 THR Chi-restraints excluded: chain E residue 219 LEU Chi-restraints excluded: chain E residue 221 ILE Chi-restraints excluded: chain E residue 225 GLN Chi-restraints excluded: chain E residue 234 SER Chi-restraints excluded: chain E residue 239 ASN Chi-restraints excluded: chain E residue 246 ASN Chi-restraints excluded: chain E residue 249 ASN Chi-restraints excluded: chain E residue 251 LYS Chi-restraints excluded: chain E residue 258 LEU Chi-restraints excluded: chain E residue 262 ILE Chi-restraints excluded: chain E residue 266 THR Chi-restraints excluded: chain E residue 273 ASP Chi-restraints excluded: chain E residue 279 THR Chi-restraints excluded: chain E residue 280 THR Chi-restraints excluded: chain E residue 281 THR Chi-restraints excluded: chain E residue 284 SER Chi-restraints excluded: chain E residue 285 LEU Chi-restraints excluded: chain E residue 288 HIS Chi-restraints excluded: chain E residue 291 THR Chi-restraints excluded: chain E residue 292 LEU Chi-restraints excluded: chain E residue 293 THR Chi-restraints excluded: chain E residue 305 LEU Chi-restraints excluded: chain E residue 321 PRO Chi-restraints excluded: chain E residue 323 ARG Chi-restraints excluded: chain E residue 324 LEU Chi-restraints excluded: chain E residue 325 SER Chi-restraints excluded: chain E residue 326 ILE Chi-restraints excluded: chain E residue 327 ILE Chi-restraints excluded: chain E residue 329 GLU Chi-restraints excluded: chain E residue 331 ILE Chi-restraints excluded: chain E residue 333 ASP Chi-restraints excluded: chain E residue 338 TRP Chi-restraints excluded: chain E residue 339 ASP Chi-restraints excluded: chain E residue 349 LEU Chi-restraints excluded: chain E residue 351 THR Chi-restraints excluded: chain E residue 352 ILE Chi-restraints excluded: chain E residue 353 ILE Chi-restraints excluded: chain E residue 355 SER Chi-restraints excluded: chain E residue 359 VAL Chi-restraints excluded: chain E residue 365 TYR Chi-restraints excluded: chain E residue 367 LYS Chi-restraints excluded: chain E residue 370 ASP Chi-restraints excluded: chain E residue 371 ARG Chi-restraints excluded: chain E residue 373 SER Chi-restraints excluded: chain E residue 381 ILE Chi-restraints excluded: chain E residue 384 ILE Chi-restraints excluded: chain E residue 385 LEU Chi-restraints excluded: chain E residue 387 SER Chi-restraints excluded: chain E residue 389 ILE Chi-restraints excluded: chain E residue 400 VAL Chi-restraints excluded: chain E residue 406 HIS Chi-restraints excluded: chain E residue 407 LYS Chi-restraints excluded: chain E residue 408 TYR Chi-restraints excluded: chain E residue 411 VAL Chi-restraints excluded: chain E residue 413 LYS Chi-restraints excluded: chain E residue 425 ILE Chi-restraints excluded: chain E residue 431 VAL Chi-restraints excluded: chain E residue 447 TYR Chi-restraints excluded: chain E residue 452 THR Chi-restraints excluded: chain E residue 456 ASP Chi-restraints excluded: chain E residue 462 TYR Chi-restraints excluded: chain E residue 463 LEU Chi-restraints excluded: chain E residue 471 ILE Chi-restraints excluded: chain E residue 478 ILE Chi-restraints excluded: chain E residue 479 GLU Chi-restraints excluded: chain E residue 480 HIS Chi-restraints excluded: chain E residue 485 THR Chi-restraints excluded: chain E residue 487 PHE Chi-restraints excluded: chain E residue 489 MET Chi-restraints excluded: chain E residue 494 PHE Chi-restraints excluded: chain E residue 496 PHE Chi-restraints excluded: chain E residue 497 LEU Chi-restraints excluded: chain E residue 499 GLN Chi-restraints excluded: chain E residue 501 ILE Chi-restraints excluded: chain E residue 516 ASN Chi-restraints excluded: chain E residue 524 TYR Chi-restraints excluded: chain E residue 528 ILE Chi-restraints excluded: chain E residue 535 TYR Chi-restraints excluded: chain E residue 536 GLU Chi-restraints excluded: chain E residue 539 VAL Chi-restraints excluded: chain E residue 544 ASP Chi-restraints excluded: chain E residue 549 ILE Chi-restraints excluded: chain E residue 559 THR Chi-restraints excluded: chain E residue 564 ILE Chi-restraints excluded: chain E residue 576 GLU Chi-restraints excluded: chain E residue 580 GLN Chi-restraints excluded: chain F residue 12 TYR Chi-restraints excluded: chain F residue 13 LYS Chi-restraints excluded: chain F residue 19 PHE Chi-restraints excluded: chain F residue 25 ASP Chi-restraints excluded: chain F residue 33 GLN Chi-restraints excluded: chain F residue 34 ASP Chi-restraints excluded: chain F residue 35 MET Chi-restraints excluded: chain F residue 38 SER Chi-restraints excluded: chain F residue 39 ILE Chi-restraints excluded: chain F residue 40 LEU Chi-restraints excluded: chain F residue 41 SER Chi-restraints excluded: chain F residue 44 GLU Chi-restraints excluded: chain F residue 46 ASP Chi-restraints excluded: chain F residue 51 SER Chi-restraints excluded: chain F residue 58 THR Chi-restraints excluded: chain F residue 74 GLN Chi-restraints excluded: chain F residue 77 VAL Chi-restraints excluded: chain F residue 80 VAL Chi-restraints excluded: chain F residue 81 LEU Chi-restraints excluded: chain F residue 82 ARG Chi-restraints excluded: chain F residue 87 PHE Chi-restraints excluded: chain F residue 89 MET Chi-restraints excluded: chain F residue 92 ILE Chi-restraints excluded: chain F residue 93 LYS Chi-restraints excluded: chain F residue 100 SER Chi-restraints excluded: chain F residue 101 MET Chi-restraints excluded: chain F residue 107 ILE Chi-restraints excluded: chain F residue 110 ARG Chi-restraints excluded: chain F residue 116 ASP Chi-restraints excluded: chain F residue 124 ASN Chi-restraints excluded: chain F residue 127 ARG Chi-restraints excluded: chain F residue 131 TYR Chi-restraints excluded: chain F residue 133 LYS Chi-restraints excluded: chain F residue 135 ARG Chi-restraints excluded: chain F residue 141 LEU Chi-restraints excluded: chain F residue 153 LEU Chi-restraints excluded: chain F residue 157 LYS Chi-restraints excluded: chain F residue 158 THR Chi-restraints excluded: chain F residue 162 LEU Chi-restraints excluded: chain F residue 164 VAL Chi-restraints excluded: chain F residue 166 LEU Chi-restraints excluded: chain F residue 167 SER Chi-restraints excluded: chain F residue 173 LYS Chi-restraints excluded: chain F residue 177 LYS Chi-restraints excluded: chain F residue 179 PHE Chi-restraints excluded: chain F residue 191 THR Chi-restraints excluded: chain F residue 193 LEU Chi-restraints excluded: chain F residue 199 LEU Chi-restraints excluded: chain F residue 203 ILE Chi-restraints excluded: chain F residue 204 ASP Chi-restraints excluded: chain F residue 208 THR Chi-restraints excluded: chain F residue 210 ARG Chi-restraints excluded: chain F residue 211 SER Chi-restraints excluded: chain F residue 217 ILE Chi-restraints excluded: chain F residue 218 LYS Chi-restraints excluded: chain F residue 221 ILE Chi-restraints excluded: chain F residue 230 ARG Chi-restraints excluded: chain F residue 236 PRO Chi-restraints excluded: chain F residue 239 ASN Chi-restraints excluded: chain F residue 242 LEU Chi-restraints excluded: chain F residue 245 LEU Chi-restraints excluded: chain F residue 247 VAL Chi-restraints excluded: chain F residue 249 ASN Chi-restraints excluded: chain F residue 254 ASN Chi-restraints excluded: chain F residue 256 PHE Chi-restraints excluded: chain F residue 258 LEU Chi-restraints excluded: chain F residue 266 THR Chi-restraints excluded: chain F residue 267 ARG Chi-restraints excluded: chain F residue 271 VAL Chi-restraints excluded: chain F residue 273 ASP Chi-restraints excluded: chain F residue 280 THR Chi-restraints excluded: chain F residue 281 THR Chi-restraints excluded: chain F residue 284 SER Chi-restraints excluded: chain F residue 288 HIS Chi-restraints excluded: chain F residue 290 MET Chi-restraints excluded: chain F residue 292 LEU Chi-restraints excluded: chain F residue 293 THR Chi-restraints excluded: chain F residue 297 VAL Chi-restraints excluded: chain F residue 299 SER Chi-restraints excluded: chain F residue 319 THR Chi-restraints excluded: chain F residue 321 PRO Chi-restraints excluded: chain F residue 322 ARG Chi-restraints excluded: chain F residue 323 ARG Chi-restraints excluded: chain F residue 324 LEU Chi-restraints excluded: chain F residue 325 SER Chi-restraints excluded: chain F residue 327 ILE Chi-restraints excluded: chain F residue 331 ILE Chi-restraints excluded: chain F residue 333 ASP Chi-restraints excluded: chain F residue 338 TRP Chi-restraints excluded: chain F residue 339 ASP Chi-restraints excluded: chain F residue 342 LYS Chi-restraints excluded: chain F residue 349 LEU Chi-restraints excluded: chain F residue 351 THR Chi-restraints excluded: chain F residue 352 ILE Chi-restraints excluded: chain F residue 353 ILE Chi-restraints excluded: chain F residue 359 VAL Chi-restraints excluded: chain F residue 370 ASP Chi-restraints excluded: chain F residue 373 SER Chi-restraints excluded: chain F residue 378 SER Chi-restraints excluded: chain F residue 381 ILE Chi-restraints excluded: chain F residue 383 THR Chi-restraints excluded: chain F residue 384 ILE Chi-restraints excluded: chain F residue 385 LEU Chi-restraints excluded: chain F residue 387 SER Chi-restraints excluded: chain F residue 397 ASP Chi-restraints excluded: chain F residue 398 VAL Chi-restraints excluded: chain F residue 406 HIS Chi-restraints excluded: chain F residue 407 LYS Chi-restraints excluded: chain F residue 408 TYR Chi-restraints excluded: chain F residue 413 LYS Chi-restraints excluded: chain F residue 419 THR Chi-restraints excluded: chain F residue 421 SER Chi-restraints excluded: chain F residue 431 VAL Chi-restraints excluded: chain F residue 441 ARG Chi-restraints excluded: chain F residue 443 ILE Chi-restraints excluded: chain F residue 447 TYR Chi-restraints excluded: chain F residue 452 THR Chi-restraints excluded: chain F residue 456 ASP Chi-restraints excluded: chain F residue 457 ASP Chi-restraints excluded: chain F residue 462 TYR Chi-restraints excluded: chain F residue 463 LEU Chi-restraints excluded: chain F residue 471 ILE Chi-restraints excluded: chain F residue 478 ILE Chi-restraints excluded: chain F residue 479 GLU Chi-restraints excluded: chain F residue 480 HIS Chi-restraints excluded: chain F residue 486 LEU Chi-restraints excluded: chain F residue 489 MET Chi-restraints excluded: chain F residue 490 VAL Chi-restraints excluded: chain F residue 494 PHE Chi-restraints excluded: chain F residue 497 LEU Chi-restraints excluded: chain F residue 499 GLN Chi-restraints excluded: chain F residue 501 ILE Chi-restraints excluded: chain F residue 528 ILE Chi-restraints excluded: chain F residue 533 PRO Chi-restraints excluded: chain F residue 535 TYR Chi-restraints excluded: chain F residue 536 GLU Chi-restraints excluded: chain F residue 539 VAL Chi-restraints excluded: chain F residue 544 ASP Chi-restraints excluded: chain F residue 549 ILE Chi-restraints excluded: chain F residue 564 ILE Chi-restraints excluded: chain F residue 570 ASP Chi-restraints excluded: chain F residue 573 ILE Chi-restraints excluded: chain F residue 576 GLU Chi-restraints excluded: chain G residue 11 GLN Chi-restraints excluded: chain G residue 12 TYR Chi-restraints excluded: chain G residue 13 LYS Chi-restraints excluded: chain G residue 15 ILE Chi-restraints excluded: chain G residue 19 PHE Chi-restraints excluded: chain G residue 25 ASP Chi-restraints excluded: chain G residue 32 VAL Chi-restraints excluded: chain G residue 33 GLN Chi-restraints excluded: chain G residue 34 ASP Chi-restraints excluded: chain G residue 35 MET Chi-restraints excluded: chain G residue 38 SER Chi-restraints excluded: chain G residue 39 ILE Chi-restraints excluded: chain G residue 41 SER Chi-restraints excluded: chain G residue 44 GLU Chi-restraints excluded: chain G residue 50 MET Chi-restraints excluded: chain G residue 51 SER Chi-restraints excluded: chain G residue 58 THR Chi-restraints excluded: chain G residue 65 LEU Chi-restraints excluded: chain G residue 66 LEU Chi-restraints excluded: chain G residue 77 VAL Chi-restraints excluded: chain G residue 80 VAL Chi-restraints excluded: chain G residue 81 LEU Chi-restraints excluded: chain G residue 82 ARG Chi-restraints excluded: chain G residue 83 ILE Chi-restraints excluded: chain G residue 85 TYR Chi-restraints excluded: chain G residue 92 ILE Chi-restraints excluded: chain G residue 94 THR Chi-restraints excluded: chain G residue 97 ARG Chi-restraints excluded: chain G residue 100 SER Chi-restraints excluded: chain G residue 103 THR Chi-restraints excluded: chain G residue 104 ARG Chi-restraints excluded: chain G residue 107 ILE Chi-restraints excluded: chain G residue 110 ARG Chi-restraints excluded: chain G residue 122 LYS Chi-restraints excluded: chain G residue 127 ARG Chi-restraints excluded: chain G residue 131 TYR Chi-restraints excluded: chain G residue 135 ARG Chi-restraints excluded: chain G residue 139 LEU Chi-restraints excluded: chain G residue 141 LEU Chi-restraints excluded: chain G residue 150 ASP Chi-restraints excluded: chain G residue 153 LEU Chi-restraints excluded: chain G residue 157 LYS Chi-restraints excluded: chain G residue 158 THR Chi-restraints excluded: chain G residue 160 VAL Chi-restraints excluded: chain G residue 166 LEU Chi-restraints excluded: chain G residue 167 SER Chi-restraints excluded: chain G residue 188 SER Chi-restraints excluded: chain G residue 191 THR Chi-restraints excluded: chain G residue 204 ASP Chi-restraints excluded: chain G residue 208 THR Chi-restraints excluded: chain G residue 219 LEU Chi-restraints excluded: chain G residue 221 ILE Chi-restraints excluded: chain G residue 225 GLN Chi-restraints excluded: chain G residue 234 SER Chi-restraints excluded: chain G residue 239 ASN Chi-restraints excluded: chain G residue 246 ASN Chi-restraints excluded: chain G residue 249 ASN Chi-restraints excluded: chain G residue 251 LYS Chi-restraints excluded: chain G residue 258 LEU Chi-restraints excluded: chain G residue 262 ILE Chi-restraints excluded: chain G residue 266 THR Chi-restraints excluded: chain G residue 273 ASP Chi-restraints excluded: chain G residue 279 THR Chi-restraints excluded: chain G residue 280 THR Chi-restraints excluded: chain G residue 281 THR Chi-restraints excluded: chain G residue 284 SER Chi-restraints excluded: chain G residue 285 LEU Chi-restraints excluded: chain G residue 288 HIS Chi-restraints excluded: chain G residue 291 THR Chi-restraints excluded: chain G residue 292 LEU Chi-restraints excluded: chain G residue 293 THR Chi-restraints excluded: chain G residue 305 LEU Chi-restraints excluded: chain G residue 321 PRO Chi-restraints excluded: chain G residue 323 ARG Chi-restraints excluded: chain G residue 324 LEU Chi-restraints excluded: chain G residue 325 SER Chi-restraints excluded: chain G residue 326 ILE Chi-restraints excluded: chain G residue 327 ILE Chi-restraints excluded: chain G residue 329 GLU Chi-restraints excluded: chain G residue 331 ILE Chi-restraints excluded: chain G residue 333 ASP Chi-restraints excluded: chain G residue 338 TRP Chi-restraints excluded: chain G residue 339 ASP Chi-restraints excluded: chain G residue 342 LYS Chi-restraints excluded: chain G residue 343 HIS Chi-restraints excluded: chain G residue 351 THR Chi-restraints excluded: chain G residue 352 ILE Chi-restraints excluded: chain G residue 353 ILE Chi-restraints excluded: chain G residue 355 SER Chi-restraints excluded: chain G residue 359 VAL Chi-restraints excluded: chain G residue 365 TYR Chi-restraints excluded: chain G residue 370 ASP Chi-restraints excluded: chain G residue 371 ARG Chi-restraints excluded: chain G residue 373 SER Chi-restraints excluded: chain G residue 381 ILE Chi-restraints excluded: chain G residue 384 ILE Chi-restraints excluded: chain G residue 385 LEU Chi-restraints excluded: chain G residue 387 SER Chi-restraints excluded: chain G residue 389 ILE Chi-restraints excluded: chain G residue 400 VAL Chi-restraints excluded: chain G residue 406 HIS Chi-restraints excluded: chain G residue 407 LYS Chi-restraints excluded: chain G residue 408 TYR Chi-restraints excluded: chain G residue 411 VAL Chi-restraints excluded: chain G residue 413 LYS Chi-restraints excluded: chain G residue 425 ILE Chi-restraints excluded: chain G residue 431 VAL Chi-restraints excluded: chain G residue 447 TYR Chi-restraints excluded: chain G residue 452 THR Chi-restraints excluded: chain G residue 456 ASP Chi-restraints excluded: chain G residue 457 ASP Chi-restraints excluded: chain G residue 462 TYR Chi-restraints excluded: chain G residue 463 LEU Chi-restraints excluded: chain G residue 471 ILE Chi-restraints excluded: chain G residue 478 ILE Chi-restraints excluded: chain G residue 479 GLU Chi-restraints excluded: chain G residue 480 HIS Chi-restraints excluded: chain G residue 485 THR Chi-restraints excluded: chain G residue 487 PHE Chi-restraints excluded: chain G residue 489 MET Chi-restraints excluded: chain G residue 494 PHE Chi-restraints excluded: chain G residue 496 PHE Chi-restraints excluded: chain G residue 497 LEU Chi-restraints excluded: chain G residue 499 GLN Chi-restraints excluded: chain G residue 501 ILE Chi-restraints excluded: chain G residue 516 ASN Chi-restraints excluded: chain G residue 524 TYR Chi-restraints excluded: chain G residue 528 ILE Chi-restraints excluded: chain G residue 535 TYR Chi-restraints excluded: chain G residue 536 GLU Chi-restraints excluded: chain G residue 539 VAL Chi-restraints excluded: chain G residue 544 ASP Chi-restraints excluded: chain G residue 549 ILE Chi-restraints excluded: chain G residue 559 THR Chi-restraints excluded: chain G residue 564 ILE Chi-restraints excluded: chain G residue 576 GLU Chi-restraints excluded: chain G residue 580 GLN Chi-restraints excluded: chain H residue 12 TYR Chi-restraints excluded: chain H residue 13 LYS Chi-restraints excluded: chain H residue 25 ASP Chi-restraints excluded: chain H residue 33 GLN Chi-restraints excluded: chain H residue 34 ASP Chi-restraints excluded: chain H residue 35 MET Chi-restraints excluded: chain H residue 38 SER Chi-restraints excluded: chain H residue 40 LEU Chi-restraints excluded: chain H residue 41 SER Chi-restraints excluded: chain H residue 44 GLU Chi-restraints excluded: chain H residue 46 ASP Chi-restraints excluded: chain H residue 51 SER Chi-restraints excluded: chain H residue 58 THR Chi-restraints excluded: chain H residue 77 VAL Chi-restraints excluded: chain H residue 80 VAL Chi-restraints excluded: chain H residue 81 LEU Chi-restraints excluded: chain H residue 82 ARG Chi-restraints excluded: chain H residue 89 MET Chi-restraints excluded: chain H residue 93 LYS Chi-restraints excluded: chain H residue 100 SER Chi-restraints excluded: chain H residue 101 MET Chi-restraints excluded: chain H residue 107 ILE Chi-restraints excluded: chain H residue 110 ARG Chi-restraints excluded: chain H residue 116 ASP Chi-restraints excluded: chain H residue 124 ASN Chi-restraints excluded: chain H residue 127 ARG Chi-restraints excluded: chain H residue 131 TYR Chi-restraints excluded: chain H residue 133 LYS Chi-restraints excluded: chain H residue 135 ARG Chi-restraints excluded: chain H residue 141 LEU Chi-restraints excluded: chain H residue 153 LEU Chi-restraints excluded: chain H residue 157 LYS Chi-restraints excluded: chain H residue 158 THR Chi-restraints excluded: chain H residue 162 LEU Chi-restraints excluded: chain H residue 164 VAL Chi-restraints excluded: chain H residue 166 LEU Chi-restraints excluded: chain H residue 167 SER Chi-restraints excluded: chain H residue 173 LYS Chi-restraints excluded: chain H residue 177 LYS Chi-restraints excluded: chain H residue 179 PHE Chi-restraints excluded: chain H residue 188 SER Chi-restraints excluded: chain H residue 193 LEU Chi-restraints excluded: chain H residue 199 LEU Chi-restraints excluded: chain H residue 203 ILE Chi-restraints excluded: chain H residue 204 ASP Chi-restraints excluded: chain H residue 208 THR Chi-restraints excluded: chain H residue 210 ARG Chi-restraints excluded: chain H residue 211 SER Chi-restraints excluded: chain H residue 217 ILE Chi-restraints excluded: chain H residue 218 LYS Chi-restraints excluded: chain H residue 221 ILE Chi-restraints excluded: chain H residue 230 ARG Chi-restraints excluded: chain H residue 234 SER Chi-restraints excluded: chain H residue 236 PRO Chi-restraints excluded: chain H residue 239 ASN Chi-restraints excluded: chain H residue 242 LEU Chi-restraints excluded: chain H residue 245 LEU Chi-restraints excluded: chain H residue 247 VAL Chi-restraints excluded: chain H residue 249 ASN Chi-restraints excluded: chain H residue 254 ASN Chi-restraints excluded: chain H residue 256 PHE Chi-restraints excluded: chain H residue 258 LEU Chi-restraints excluded: chain H residue 266 THR Chi-restraints excluded: chain H residue 267 ARG Chi-restraints excluded: chain H residue 271 VAL Chi-restraints excluded: chain H residue 273 ASP Chi-restraints excluded: chain H residue 280 THR Chi-restraints excluded: chain H residue 281 THR Chi-restraints excluded: chain H residue 284 SER Chi-restraints excluded: chain H residue 288 HIS Chi-restraints excluded: chain H residue 290 MET Chi-restraints excluded: chain H residue 292 LEU Chi-restraints excluded: chain H residue 293 THR Chi-restraints excluded: chain H residue 297 VAL Chi-restraints excluded: chain H residue 299 SER Chi-restraints excluded: chain H residue 319 THR Chi-restraints excluded: chain H residue 321 PRO Chi-restraints excluded: chain H residue 322 ARG Chi-restraints excluded: chain H residue 323 ARG Chi-restraints excluded: chain H residue 324 LEU Chi-restraints excluded: chain H residue 325 SER Chi-restraints excluded: chain H residue 327 ILE Chi-restraints excluded: chain H residue 331 ILE Chi-restraints excluded: chain H residue 332 ARG Chi-restraints excluded: chain H residue 333 ASP Chi-restraints excluded: chain H residue 338 TRP Chi-restraints excluded: chain H residue 339 ASP Chi-restraints excluded: chain H residue 342 LYS Chi-restraints excluded: chain H residue 349 LEU Chi-restraints excluded: chain H residue 351 THR Chi-restraints excluded: chain H residue 352 ILE Chi-restraints excluded: chain H residue 353 ILE Chi-restraints excluded: chain H residue 359 VAL Chi-restraints excluded: chain H residue 370 ASP Chi-restraints excluded: chain H residue 373 SER Chi-restraints excluded: chain H residue 378 SER Chi-restraints excluded: chain H residue 381 ILE Chi-restraints excluded: chain H residue 383 THR Chi-restraints excluded: chain H residue 384 ILE Chi-restraints excluded: chain H residue 385 LEU Chi-restraints excluded: chain H residue 387 SER Chi-restraints excluded: chain H residue 397 ASP Chi-restraints excluded: chain H residue 398 VAL Chi-restraints excluded: chain H residue 406 HIS Chi-restraints excluded: chain H residue 407 LYS Chi-restraints excluded: chain H residue 408 TYR Chi-restraints excluded: chain H residue 413 LYS Chi-restraints excluded: chain H residue 419 THR Chi-restraints excluded: chain H residue 421 SER Chi-restraints excluded: chain H residue 428 GLU Chi-restraints excluded: chain H residue 431 VAL Chi-restraints excluded: chain H residue 441 ARG Chi-restraints excluded: chain H residue 443 ILE Chi-restraints excluded: chain H residue 447 TYR Chi-restraints excluded: chain H residue 451 LYS Chi-restraints excluded: chain H residue 452 THR Chi-restraints excluded: chain H residue 456 ASP Chi-restraints excluded: chain H residue 457 ASP Chi-restraints excluded: chain H residue 462 TYR Chi-restraints excluded: chain H residue 463 LEU Chi-restraints excluded: chain H residue 471 ILE Chi-restraints excluded: chain H residue 478 ILE Chi-restraints excluded: chain H residue 479 GLU Chi-restraints excluded: chain H residue 480 HIS Chi-restraints excluded: chain H residue 486 LEU Chi-restraints excluded: chain H residue 489 MET Chi-restraints excluded: chain H residue 490 VAL Chi-restraints excluded: chain H residue 494 PHE Chi-restraints excluded: chain H residue 497 LEU Chi-restraints excluded: chain H residue 499 GLN Chi-restraints excluded: chain H residue 501 ILE Chi-restraints excluded: chain H residue 528 ILE Chi-restraints excluded: chain H residue 533 PRO Chi-restraints excluded: chain H residue 535 TYR Chi-restraints excluded: chain H residue 536 GLU Chi-restraints excluded: chain H residue 539 VAL Chi-restraints excluded: chain H residue 544 ASP Chi-restraints excluded: chain H residue 549 ILE Chi-restraints excluded: chain H residue 559 THR Chi-restraints excluded: chain H residue 564 ILE Chi-restraints excluded: chain H residue 570 ASP Chi-restraints excluded: chain H residue 573 ILE Chi-restraints excluded: chain H residue 576 GLU Chi-restraints excluded: chain I residue 11 GLN Chi-restraints excluded: chain I residue 12 TYR Chi-restraints excluded: chain I residue 13 LYS Chi-restraints excluded: chain I residue 15 ILE Chi-restraints excluded: chain I residue 19 PHE Chi-restraints excluded: chain I residue 24 VAL Chi-restraints excluded: chain I residue 25 ASP Chi-restraints excluded: chain I residue 32 VAL Chi-restraints excluded: chain I residue 33 GLN Chi-restraints excluded: chain I residue 34 ASP Chi-restraints excluded: chain I residue 35 MET Chi-restraints excluded: chain I residue 38 SER Chi-restraints excluded: chain I residue 39 ILE Chi-restraints excluded: chain I residue 41 SER Chi-restraints excluded: chain I residue 44 GLU Chi-restraints excluded: chain I residue 50 MET Chi-restraints excluded: chain I residue 51 SER Chi-restraints excluded: chain I residue 58 THR Chi-restraints excluded: chain I residue 65 LEU Chi-restraints excluded: chain I residue 66 LEU Chi-restraints excluded: chain I residue 72 MET Chi-restraints excluded: chain I residue 77 VAL Chi-restraints excluded: chain I residue 80 VAL Chi-restraints excluded: chain I residue 81 LEU Chi-restraints excluded: chain I residue 82 ARG Chi-restraints excluded: chain I residue 83 ILE Chi-restraints excluded: chain I residue 85 TYR Chi-restraints excluded: chain I residue 92 ILE Chi-restraints excluded: chain I residue 94 THR Chi-restraints excluded: chain I residue 97 ARG Chi-restraints excluded: chain I residue 100 SER Chi-restraints excluded: chain I residue 103 THR Chi-restraints excluded: chain I residue 104 ARG Chi-restraints excluded: chain I residue 107 ILE Chi-restraints excluded: chain I residue 110 ARG Chi-restraints excluded: chain I residue 122 LYS Chi-restraints excluded: chain I residue 127 ARG Chi-restraints excluded: chain I residue 131 TYR Chi-restraints excluded: chain I residue 135 ARG Chi-restraints excluded: chain I residue 139 LEU Chi-restraints excluded: chain I residue 141 LEU Chi-restraints excluded: chain I residue 150 ASP Chi-restraints excluded: chain I residue 153 LEU Chi-restraints excluded: chain I residue 157 LYS Chi-restraints excluded: chain I residue 158 THR Chi-restraints excluded: chain I residue 160 VAL Chi-restraints excluded: chain I residue 166 LEU Chi-restraints excluded: chain I residue 167 SER Chi-restraints excluded: chain I residue 188 SER Chi-restraints excluded: chain I residue 191 THR Chi-restraints excluded: chain I residue 199 LEU Chi-restraints excluded: chain I residue 204 ASP Chi-restraints excluded: chain I residue 208 THR Chi-restraints excluded: chain I residue 219 LEU Chi-restraints excluded: chain I residue 221 ILE Chi-restraints excluded: chain I residue 225 GLN Chi-restraints excluded: chain I residue 234 SER Chi-restraints excluded: chain I residue 239 ASN Chi-restraints excluded: chain I residue 246 ASN Chi-restraints excluded: chain I residue 249 ASN Chi-restraints excluded: chain I residue 258 LEU Chi-restraints excluded: chain I residue 262 ILE Chi-restraints excluded: chain I residue 266 THR Chi-restraints excluded: chain I residue 273 ASP Chi-restraints excluded: chain I residue 275 LEU Chi-restraints excluded: chain I residue 279 THR Chi-restraints excluded: chain I residue 280 THR Chi-restraints excluded: chain I residue 281 THR Chi-restraints excluded: chain I residue 284 SER Chi-restraints excluded: chain I residue 285 LEU Chi-restraints excluded: chain I residue 288 HIS Chi-restraints excluded: chain I residue 291 THR Chi-restraints excluded: chain I residue 292 LEU Chi-restraints excluded: chain I residue 293 THR Chi-restraints excluded: chain I residue 305 LEU Chi-restraints excluded: chain I residue 321 PRO Chi-restraints excluded: chain I residue 324 LEU Chi-restraints excluded: chain I residue 325 SER Chi-restraints excluded: chain I residue 326 ILE Chi-restraints excluded: chain I residue 327 ILE Chi-restraints excluded: chain I residue 329 GLU Chi-restraints excluded: chain I residue 331 ILE Chi-restraints excluded: chain I residue 333 ASP Chi-restraints excluded: chain I residue 338 TRP Chi-restraints excluded: chain I residue 339 ASP Chi-restraints excluded: chain I residue 342 LYS Chi-restraints excluded: chain I residue 343 HIS Chi-restraints excluded: chain I residue 349 LEU Chi-restraints excluded: chain I residue 351 THR Chi-restraints excluded: chain I residue 352 ILE Chi-restraints excluded: chain I residue 353 ILE Chi-restraints excluded: chain I residue 355 SER Chi-restraints excluded: chain I residue 359 VAL Chi-restraints excluded: chain I residue 365 TYR Chi-restraints excluded: chain I residue 367 LYS Chi-restraints excluded: chain I residue 370 ASP Chi-restraints excluded: chain I residue 371 ARG Chi-restraints excluded: chain I residue 373 SER Chi-restraints excluded: chain I residue 381 ILE Chi-restraints excluded: chain I residue 384 ILE Chi-restraints excluded: chain I residue 385 LEU Chi-restraints excluded: chain I residue 387 SER Chi-restraints excluded: chain I residue 389 ILE Chi-restraints excluded: chain I residue 397 ASP Chi-restraints excluded: chain I residue 398 VAL Chi-restraints excluded: chain I residue 400 VAL Chi-restraints excluded: chain I residue 406 HIS Chi-restraints excluded: chain I residue 407 LYS Chi-restraints excluded: chain I residue 408 TYR Chi-restraints excluded: chain I residue 411 VAL Chi-restraints excluded: chain I residue 413 LYS Chi-restraints excluded: chain I residue 425 ILE Chi-restraints excluded: chain I residue 431 VAL Chi-restraints excluded: chain I residue 447 TYR Chi-restraints excluded: chain I residue 452 THR Chi-restraints excluded: chain I residue 456 ASP Chi-restraints excluded: chain I residue 462 TYR Chi-restraints excluded: chain I residue 463 LEU Chi-restraints excluded: chain I residue 471 ILE Chi-restraints excluded: chain I residue 478 ILE Chi-restraints excluded: chain I residue 479 GLU Chi-restraints excluded: chain I residue 480 HIS Chi-restraints excluded: chain I residue 485 THR Chi-restraints excluded: chain I residue 487 PHE Chi-restraints excluded: chain I residue 489 MET Chi-restraints excluded: chain I residue 494 PHE Chi-restraints excluded: chain I residue 496 PHE Chi-restraints excluded: chain I residue 497 LEU Chi-restraints excluded: chain I residue 499 GLN Chi-restraints excluded: chain I residue 501 ILE Chi-restraints excluded: chain I residue 516 ASN Chi-restraints excluded: chain I residue 524 TYR Chi-restraints excluded: chain I residue 528 ILE Chi-restraints excluded: chain I residue 535 TYR Chi-restraints excluded: chain I residue 536 GLU Chi-restraints excluded: chain I residue 539 VAL Chi-restraints excluded: chain I residue 544 ASP Chi-restraints excluded: chain I residue 549 ILE Chi-restraints excluded: chain I residue 559 THR Chi-restraints excluded: chain I residue 564 ILE Chi-restraints excluded: chain I residue 576 GLU Chi-restraints excluded: chain I residue 580 GLN Chi-restraints excluded: chain J residue 12 TYR Chi-restraints excluded: chain J residue 13 LYS Chi-restraints excluded: chain J residue 25 ASP Chi-restraints excluded: chain J residue 33 GLN Chi-restraints excluded: chain J residue 34 ASP Chi-restraints excluded: chain J residue 35 MET Chi-restraints excluded: chain J residue 38 SER Chi-restraints excluded: chain J residue 40 LEU Chi-restraints excluded: chain J residue 41 SER Chi-restraints excluded: chain J residue 44 GLU Chi-restraints excluded: chain J residue 46 ASP Chi-restraints excluded: chain J residue 51 SER Chi-restraints excluded: chain J residue 58 THR Chi-restraints excluded: chain J residue 60 ARG Chi-restraints excluded: chain J residue 77 VAL Chi-restraints excluded: chain J residue 80 VAL Chi-restraints excluded: chain J residue 82 ARG Chi-restraints excluded: chain J residue 89 MET Chi-restraints excluded: chain J residue 93 LYS Chi-restraints excluded: chain J residue 100 SER Chi-restraints excluded: chain J residue 101 MET Chi-restraints excluded: chain J residue 107 ILE Chi-restraints excluded: chain J residue 110 ARG Chi-restraints excluded: chain J residue 116 ASP Chi-restraints excluded: chain J residue 127 ARG Chi-restraints excluded: chain J residue 131 TYR Chi-restraints excluded: chain J residue 133 LYS Chi-restraints excluded: chain J residue 135 ARG Chi-restraints excluded: chain J residue 141 LEU Chi-restraints excluded: chain J residue 153 LEU Chi-restraints excluded: chain J residue 157 LYS Chi-restraints excluded: chain J residue 158 THR Chi-restraints excluded: chain J residue 162 LEU Chi-restraints excluded: chain J residue 164 VAL Chi-restraints excluded: chain J residue 166 LEU Chi-restraints excluded: chain J residue 167 SER Chi-restraints excluded: chain J residue 173 LYS Chi-restraints excluded: chain J residue 177 LYS Chi-restraints excluded: chain J residue 179 PHE Chi-restraints excluded: chain J residue 193 LEU Chi-restraints excluded: chain J residue 199 LEU Chi-restraints excluded: chain J residue 203 ILE Chi-restraints excluded: chain J residue 204 ASP Chi-restraints excluded: chain J residue 208 THR Chi-restraints excluded: chain J residue 210 ARG Chi-restraints excluded: chain J residue 211 SER Chi-restraints excluded: chain J residue 217 ILE Chi-restraints excluded: chain J residue 218 LYS Chi-restraints excluded: chain J residue 221 ILE Chi-restraints excluded: chain J residue 234 SER Chi-restraints excluded: chain J residue 236 PRO Chi-restraints excluded: chain J residue 239 ASN Chi-restraints excluded: chain J residue 242 LEU Chi-restraints excluded: chain J residue 245 LEU Chi-restraints excluded: chain J residue 247 VAL Chi-restraints excluded: chain J residue 249 ASN Chi-restraints excluded: chain J residue 251 LYS Chi-restraints excluded: chain J residue 254 ASN Chi-restraints excluded: chain J residue 256 PHE Chi-restraints excluded: chain J residue 258 LEU Chi-restraints excluded: chain J residue 266 THR Chi-restraints excluded: chain J residue 267 ARG Chi-restraints excluded: chain J residue 271 VAL Chi-restraints excluded: chain J residue 273 ASP Chi-restraints excluded: chain J residue 280 THR Chi-restraints excluded: chain J residue 281 THR Chi-restraints excluded: chain J residue 285 LEU Chi-restraints excluded: chain J residue 288 HIS Chi-restraints excluded: chain J residue 290 MET Chi-restraints excluded: chain J residue 292 LEU Chi-restraints excluded: chain J residue 293 THR Chi-restraints excluded: chain J residue 297 VAL Chi-restraints excluded: chain J residue 299 SER Chi-restraints excluded: chain J residue 319 THR Chi-restraints excluded: chain J residue 321 PRO Chi-restraints excluded: chain J residue 322 ARG Chi-restraints excluded: chain J residue 323 ARG Chi-restraints excluded: chain J residue 324 LEU Chi-restraints excluded: chain J residue 325 SER Chi-restraints excluded: chain J residue 327 ILE Chi-restraints excluded: chain J residue 331 ILE Chi-restraints excluded: chain J residue 332 ARG Chi-restraints excluded: chain J residue 333 ASP Chi-restraints excluded: chain J residue 338 TRP Chi-restraints excluded: chain J residue 339 ASP Chi-restraints excluded: chain J residue 342 LYS Chi-restraints excluded: chain J residue 349 LEU Chi-restraints excluded: chain J residue 351 THR Chi-restraints excluded: chain J residue 352 ILE Chi-restraints excluded: chain J residue 353 ILE Chi-restraints excluded: chain J residue 359 VAL Chi-restraints excluded: chain J residue 370 ASP Chi-restraints excluded: chain J residue 373 SER Chi-restraints excluded: chain J residue 378 SER Chi-restraints excluded: chain J residue 381 ILE Chi-restraints excluded: chain J residue 383 THR Chi-restraints excluded: chain J residue 384 ILE Chi-restraints excluded: chain J residue 385 LEU Chi-restraints excluded: chain J residue 387 SER Chi-restraints excluded: chain J residue 397 ASP Chi-restraints excluded: chain J residue 398 VAL Chi-restraints excluded: chain J residue 402 VAL Chi-restraints excluded: chain J residue 406 HIS Chi-restraints excluded: chain J residue 407 LYS Chi-restraints excluded: chain J residue 408 TYR Chi-restraints excluded: chain J residue 413 LYS Chi-restraints excluded: chain J residue 419 THR Chi-restraints excluded: chain J residue 421 SER Chi-restraints excluded: chain J residue 431 VAL Chi-restraints excluded: chain J residue 441 ARG Chi-restraints excluded: chain J residue 443 ILE Chi-restraints excluded: chain J residue 446 HIS Chi-restraints excluded: chain J residue 447 TYR Chi-restraints excluded: chain J residue 451 LYS Chi-restraints excluded: chain J residue 452 THR Chi-restraints excluded: chain J residue 456 ASP Chi-restraints excluded: chain J residue 457 ASP Chi-restraints excluded: chain J residue 462 TYR Chi-restraints excluded: chain J residue 463 LEU Chi-restraints excluded: chain J residue 471 ILE Chi-restraints excluded: chain J residue 478 ILE Chi-restraints excluded: chain J residue 479 GLU Chi-restraints excluded: chain J residue 480 HIS Chi-restraints excluded: chain J residue 486 LEU Chi-restraints excluded: chain J residue 489 MET Chi-restraints excluded: chain J residue 490 VAL Chi-restraints excluded: chain J residue 494 PHE Chi-restraints excluded: chain J residue 497 LEU Chi-restraints excluded: chain J residue 499 GLN Chi-restraints excluded: chain J residue 501 ILE Chi-restraints excluded: chain J residue 522 LYS Chi-restraints excluded: chain J residue 528 ILE Chi-restraints excluded: chain J residue 533 PRO Chi-restraints excluded: chain J residue 535 TYR Chi-restraints excluded: chain J residue 536 GLU Chi-restraints excluded: chain J residue 539 VAL Chi-restraints excluded: chain J residue 544 ASP Chi-restraints excluded: chain J residue 549 ILE Chi-restraints excluded: chain J residue 559 THR Chi-restraints excluded: chain J residue 564 ILE Chi-restraints excluded: chain J residue 570 ASP Chi-restraints excluded: chain J residue 573 ILE Chi-restraints excluded: chain J residue 576 GLU Chi-restraints excluded: chain K residue 11 GLN Chi-restraints excluded: chain K residue 12 TYR Chi-restraints excluded: chain K residue 13 LYS Chi-restraints excluded: chain K residue 15 ILE Chi-restraints excluded: chain K residue 19 PHE Chi-restraints excluded: chain K residue 24 VAL Chi-restraints excluded: chain K residue 25 ASP Chi-restraints excluded: chain K residue 26 ASN Chi-restraints excluded: chain K residue 32 VAL Chi-restraints excluded: chain K residue 33 GLN Chi-restraints excluded: chain K residue 34 ASP Chi-restraints excluded: chain K residue 35 MET Chi-restraints excluded: chain K residue 38 SER Chi-restraints excluded: chain K residue 39 ILE Chi-restraints excluded: chain K residue 41 SER Chi-restraints excluded: chain K residue 44 GLU Chi-restraints excluded: chain K residue 50 MET Chi-restraints excluded: chain K residue 51 SER Chi-restraints excluded: chain K residue 58 THR Chi-restraints excluded: chain K residue 65 LEU Chi-restraints excluded: chain K residue 66 LEU Chi-restraints excluded: chain K residue 72 MET Chi-restraints excluded: chain K residue 77 VAL Chi-restraints excluded: chain K residue 80 VAL Chi-restraints excluded: chain K residue 81 LEU Chi-restraints excluded: chain K residue 82 ARG Chi-restraints excluded: chain K residue 83 ILE Chi-restraints excluded: chain K residue 85 TYR Chi-restraints excluded: chain K residue 92 ILE Chi-restraints excluded: chain K residue 94 THR Chi-restraints excluded: chain K residue 97 ARG Chi-restraints excluded: chain K residue 100 SER Chi-restraints excluded: chain K residue 103 THR Chi-restraints excluded: chain K residue 104 ARG Chi-restraints excluded: chain K residue 107 ILE Chi-restraints excluded: chain K residue 110 ARG Chi-restraints excluded: chain K residue 122 LYS Chi-restraints excluded: chain K residue 127 ARG Chi-restraints excluded: chain K residue 131 TYR Chi-restraints excluded: chain K residue 135 ARG Chi-restraints excluded: chain K residue 139 LEU Chi-restraints excluded: chain K residue 141 LEU Chi-restraints excluded: chain K residue 150 ASP Chi-restraints excluded: chain K residue 153 LEU Chi-restraints excluded: chain K residue 157 LYS Chi-restraints excluded: chain K residue 158 THR Chi-restraints excluded: chain K residue 160 VAL Chi-restraints excluded: chain K residue 166 LEU Chi-restraints excluded: chain K residue 167 SER Chi-restraints excluded: chain K residue 181 LEU Chi-restraints excluded: chain K residue 188 SER Chi-restraints excluded: chain K residue 191 THR Chi-restraints excluded: chain K residue 199 LEU Chi-restraints excluded: chain K residue 204 ASP Chi-restraints excluded: chain K residue 208 THR Chi-restraints excluded: chain K residue 219 LEU Chi-restraints excluded: chain K residue 221 ILE Chi-restraints excluded: chain K residue 225 GLN Chi-restraints excluded: chain K residue 234 SER Chi-restraints excluded: chain K residue 239 ASN Chi-restraints excluded: chain K residue 241 LEU Chi-restraints excluded: chain K residue 246 ASN Chi-restraints excluded: chain K residue 251 LYS Chi-restraints excluded: chain K residue 258 LEU Chi-restraints excluded: chain K residue 262 ILE Chi-restraints excluded: chain K residue 264 LEU Chi-restraints excluded: chain K residue 266 THR Chi-restraints excluded: chain K residue 273 ASP Chi-restraints excluded: chain K residue 279 THR Chi-restraints excluded: chain K residue 280 THR Chi-restraints excluded: chain K residue 281 THR Chi-restraints excluded: chain K residue 284 SER Chi-restraints excluded: chain K residue 285 LEU Chi-restraints excluded: chain K residue 288 HIS Chi-restraints excluded: chain K residue 291 THR Chi-restraints excluded: chain K residue 292 LEU Chi-restraints excluded: chain K residue 293 THR Chi-restraints excluded: chain K residue 305 LEU Chi-restraints excluded: chain K residue 321 PRO Chi-restraints excluded: chain K residue 323 ARG Chi-restraints excluded: chain K residue 324 LEU Chi-restraints excluded: chain K residue 325 SER Chi-restraints excluded: chain K residue 327 ILE Chi-restraints excluded: chain K residue 329 GLU Chi-restraints excluded: chain K residue 331 ILE Chi-restraints excluded: chain K residue 333 ASP Chi-restraints excluded: chain K residue 338 TRP Chi-restraints excluded: chain K residue 339 ASP Chi-restraints excluded: chain K residue 342 LYS Chi-restraints excluded: chain K residue 343 HIS Chi-restraints excluded: chain K residue 349 LEU Chi-restraints excluded: chain K residue 351 THR Chi-restraints excluded: chain K residue 352 ILE Chi-restraints excluded: chain K residue 353 ILE Chi-restraints excluded: chain K residue 355 SER Chi-restraints excluded: chain K residue 359 VAL Chi-restraints excluded: chain K residue 370 ASP Chi-restraints excluded: chain K residue 371 ARG Chi-restraints excluded: chain K residue 373 SER Chi-restraints excluded: chain K residue 381 ILE Chi-restraints excluded: chain K residue 384 ILE Chi-restraints excluded: chain K residue 385 LEU Chi-restraints excluded: chain K residue 387 SER Chi-restraints excluded: chain K residue 389 ILE Chi-restraints excluded: chain K residue 398 VAL Chi-restraints excluded: chain K residue 400 VAL Chi-restraints excluded: chain K residue 406 HIS Chi-restraints excluded: chain K residue 407 LYS Chi-restraints excluded: chain K residue 408 TYR Chi-restraints excluded: chain K residue 411 VAL Chi-restraints excluded: chain K residue 413 LYS Chi-restraints excluded: chain K residue 425 ILE Chi-restraints excluded: chain K residue 431 VAL Chi-restraints excluded: chain K residue 447 TYR Chi-restraints excluded: chain K residue 452 THR Chi-restraints excluded: chain K residue 456 ASP Chi-restraints excluded: chain K residue 457 ASP Chi-restraints excluded: chain K residue 462 TYR Chi-restraints excluded: chain K residue 463 LEU Chi-restraints excluded: chain K residue 471 ILE Chi-restraints excluded: chain K residue 478 ILE Chi-restraints excluded: chain K residue 479 GLU Chi-restraints excluded: chain K residue 480 HIS Chi-restraints excluded: chain K residue 485 THR Chi-restraints excluded: chain K residue 487 PHE Chi-restraints excluded: chain K residue 489 MET Chi-restraints excluded: chain K residue 494 PHE Chi-restraints excluded: chain K residue 496 PHE Chi-restraints excluded: chain K residue 497 LEU Chi-restraints excluded: chain K residue 499 GLN Chi-restraints excluded: chain K residue 501 ILE Chi-restraints excluded: chain K residue 516 ASN Chi-restraints excluded: chain K residue 524 TYR Chi-restraints excluded: chain K residue 528 ILE Chi-restraints excluded: chain K residue 535 TYR Chi-restraints excluded: chain K residue 536 GLU Chi-restraints excluded: chain K residue 539 VAL Chi-restraints excluded: chain K residue 544 ASP Chi-restraints excluded: chain K residue 549 ILE Chi-restraints excluded: chain K residue 559 THR Chi-restraints excluded: chain K residue 564 ILE Chi-restraints excluded: chain K residue 576 GLU Chi-restraints excluded: chain K residue 580 GLN Chi-restraints excluded: chain L residue 12 TYR Chi-restraints excluded: chain L residue 13 LYS Chi-restraints excluded: chain L residue 19 PHE Chi-restraints excluded: chain L residue 25 ASP Chi-restraints excluded: chain L residue 33 GLN Chi-restraints excluded: chain L residue 34 ASP Chi-restraints excluded: chain L residue 35 MET Chi-restraints excluded: chain L residue 38 SER Chi-restraints excluded: chain L residue 40 LEU Chi-restraints excluded: chain L residue 41 SER Chi-restraints excluded: chain L residue 44 GLU Chi-restraints excluded: chain L residue 46 ASP Chi-restraints excluded: chain L residue 50 MET Chi-restraints excluded: chain L residue 51 SER Chi-restraints excluded: chain L residue 58 THR Chi-restraints excluded: chain L residue 77 VAL Chi-restraints excluded: chain L residue 82 ARG Chi-restraints excluded: chain L residue 87 PHE Chi-restraints excluded: chain L residue 89 MET Chi-restraints excluded: chain L residue 92 ILE Chi-restraints excluded: chain L residue 93 LYS Chi-restraints excluded: chain L residue 100 SER Chi-restraints excluded: chain L residue 101 MET Chi-restraints excluded: chain L residue 107 ILE Chi-restraints excluded: chain L residue 110 ARG Chi-restraints excluded: chain L residue 116 ASP Chi-restraints excluded: chain L residue 127 ARG Chi-restraints excluded: chain L residue 131 TYR Chi-restraints excluded: chain L residue 133 LYS Chi-restraints excluded: chain L residue 135 ARG Chi-restraints excluded: chain L residue 141 LEU Chi-restraints excluded: chain L residue 153 LEU Chi-restraints excluded: chain L residue 157 LYS Chi-restraints excluded: chain L residue 158 THR Chi-restraints excluded: chain L residue 162 LEU Chi-restraints excluded: chain L residue 164 VAL Chi-restraints excluded: chain L residue 166 LEU Chi-restraints excluded: chain L residue 167 SER Chi-restraints excluded: chain L residue 173 LYS Chi-restraints excluded: chain L residue 177 LYS Chi-restraints excluded: chain L residue 179 PHE Chi-restraints excluded: chain L residue 193 LEU Chi-restraints excluded: chain L residue 199 LEU Chi-restraints excluded: chain L residue 203 ILE Chi-restraints excluded: chain L residue 204 ASP Chi-restraints excluded: chain L residue 208 THR Chi-restraints excluded: chain L residue 210 ARG Chi-restraints excluded: chain L residue 211 SER Chi-restraints excluded: chain L residue 217 ILE Chi-restraints excluded: chain L residue 218 LYS Chi-restraints excluded: chain L residue 221 ILE Chi-restraints excluded: chain L residue 230 ARG Chi-restraints excluded: chain L residue 234 SER Chi-restraints excluded: chain L residue 236 PRO Chi-restraints excluded: chain L residue 239 ASN Chi-restraints excluded: chain L residue 242 LEU Chi-restraints excluded: chain L residue 245 LEU Chi-restraints excluded: chain L residue 247 VAL Chi-restraints excluded: chain L residue 249 ASN Chi-restraints excluded: chain L residue 254 ASN Chi-restraints excluded: chain L residue 256 PHE Chi-restraints excluded: chain L residue 258 LEU Chi-restraints excluded: chain L residue 266 THR Chi-restraints excluded: chain L residue 267 ARG Chi-restraints excluded: chain L residue 271 VAL Chi-restraints excluded: chain L residue 273 ASP Chi-restraints excluded: chain L residue 280 THR Chi-restraints excluded: chain L residue 281 THR Chi-restraints excluded: chain L residue 285 LEU Chi-restraints excluded: chain L residue 288 HIS Chi-restraints excluded: chain L residue 290 MET Chi-restraints excluded: chain L residue 292 LEU Chi-restraints excluded: chain L residue 293 THR Chi-restraints excluded: chain L residue 297 VAL Chi-restraints excluded: chain L residue 299 SER Chi-restraints excluded: chain L residue 319 THR Chi-restraints excluded: chain L residue 321 PRO Chi-restraints excluded: chain L residue 322 ARG Chi-restraints excluded: chain L residue 323 ARG Chi-restraints excluded: chain L residue 324 LEU Chi-restraints excluded: chain L residue 325 SER Chi-restraints excluded: chain L residue 327 ILE Chi-restraints excluded: chain L residue 331 ILE Chi-restraints excluded: chain L residue 332 ARG Chi-restraints excluded: chain L residue 333 ASP Chi-restraints excluded: chain L residue 338 TRP Chi-restraints excluded: chain L residue 339 ASP Chi-restraints excluded: chain L residue 342 LYS Chi-restraints excluded: chain L residue 349 LEU Chi-restraints excluded: chain L residue 351 THR Chi-restraints excluded: chain L residue 352 ILE Chi-restraints excluded: chain L residue 353 ILE Chi-restraints excluded: chain L residue 359 VAL Chi-restraints excluded: chain L residue 370 ASP Chi-restraints excluded: chain L residue 373 SER Chi-restraints excluded: chain L residue 378 SER Chi-restraints excluded: chain L residue 381 ILE Chi-restraints excluded: chain L residue 383 THR Chi-restraints excluded: chain L residue 384 ILE Chi-restraints excluded: chain L residue 385 LEU Chi-restraints excluded: chain L residue 387 SER Chi-restraints excluded: chain L residue 397 ASP Chi-restraints excluded: chain L residue 398 VAL Chi-restraints excluded: chain L residue 406 HIS Chi-restraints excluded: chain L residue 407 LYS Chi-restraints excluded: chain L residue 408 TYR Chi-restraints excluded: chain L residue 413 LYS Chi-restraints excluded: chain L residue 419 THR Chi-restraints excluded: chain L residue 421 SER Chi-restraints excluded: chain L residue 428 GLU Chi-restraints excluded: chain L residue 431 VAL Chi-restraints excluded: chain L residue 441 ARG Chi-restraints excluded: chain L residue 443 ILE Chi-restraints excluded: chain L residue 447 TYR Chi-restraints excluded: chain L residue 451 LYS Chi-restraints excluded: chain L residue 452 THR Chi-restraints excluded: chain L residue 456 ASP Chi-restraints excluded: chain L residue 457 ASP Chi-restraints excluded: chain L residue 462 TYR Chi-restraints excluded: chain L residue 463 LEU Chi-restraints excluded: chain L residue 471 ILE Chi-restraints excluded: chain L residue 478 ILE Chi-restraints excluded: chain L residue 479 GLU Chi-restraints excluded: chain L residue 480 HIS Chi-restraints excluded: chain L residue 486 LEU Chi-restraints excluded: chain L residue 489 MET Chi-restraints excluded: chain L residue 490 VAL Chi-restraints excluded: chain L residue 494 PHE Chi-restraints excluded: chain L residue 497 LEU Chi-restraints excluded: chain L residue 499 GLN Chi-restraints excluded: chain L residue 501 ILE Chi-restraints excluded: chain L residue 528 ILE Chi-restraints excluded: chain L residue 533 PRO Chi-restraints excluded: chain L residue 535 TYR Chi-restraints excluded: chain L residue 536 GLU Chi-restraints excluded: chain L residue 539 VAL Chi-restraints excluded: chain L residue 544 ASP Chi-restraints excluded: chain L residue 549 ILE Chi-restraints excluded: chain L residue 559 THR Chi-restraints excluded: chain L residue 564 ILE Chi-restraints excluded: chain L residue 570 ASP Chi-restraints excluded: chain L residue 573 ILE Chi-restraints excluded: chain L residue 576 GLU Chi-restraints excluded: chain M residue 11 GLN Chi-restraints excluded: chain M residue 12 TYR Chi-restraints excluded: chain M residue 13 LYS Chi-restraints excluded: chain M residue 15 ILE Chi-restraints excluded: chain M residue 19 PHE Chi-restraints excluded: chain M residue 24 VAL Chi-restraints excluded: chain M residue 25 ASP Chi-restraints excluded: chain M residue 26 ASN Chi-restraints excluded: chain M residue 32 VAL Chi-restraints excluded: chain M residue 33 GLN Chi-restraints excluded: chain M residue 34 ASP Chi-restraints excluded: chain M residue 35 MET Chi-restraints excluded: chain M residue 38 SER Chi-restraints excluded: chain M residue 39 ILE Chi-restraints excluded: chain M residue 41 SER Chi-restraints excluded: chain M residue 44 GLU Chi-restraints excluded: chain M residue 50 MET Chi-restraints excluded: chain M residue 51 SER Chi-restraints excluded: chain M residue 56 SER Chi-restraints excluded: chain M residue 58 THR Chi-restraints excluded: chain M residue 65 LEU Chi-restraints excluded: chain M residue 66 LEU Chi-restraints excluded: chain M residue 72 MET Chi-restraints excluded: chain M residue 77 VAL Chi-restraints excluded: chain M residue 80 VAL Chi-restraints excluded: chain M residue 81 LEU Chi-restraints excluded: chain M residue 82 ARG Chi-restraints excluded: chain M residue 83 ILE Chi-restraints excluded: chain M residue 85 TYR Chi-restraints excluded: chain M residue 92 ILE Chi-restraints excluded: chain M residue 94 THR Chi-restraints excluded: chain M residue 97 ARG Chi-restraints excluded: chain M residue 100 SER Chi-restraints excluded: chain M residue 103 THR Chi-restraints excluded: chain M residue 107 ILE Chi-restraints excluded: chain M residue 110 ARG Chi-restraints excluded: chain M residue 122 LYS Chi-restraints excluded: chain M residue 127 ARG Chi-restraints excluded: chain M residue 131 TYR Chi-restraints excluded: chain M residue 135 ARG Chi-restraints excluded: chain M residue 139 LEU Chi-restraints excluded: chain M residue 141 LEU Chi-restraints excluded: chain M residue 150 ASP Chi-restraints excluded: chain M residue 153 LEU Chi-restraints excluded: chain M residue 157 LYS Chi-restraints excluded: chain M residue 158 THR Chi-restraints excluded: chain M residue 160 VAL Chi-restraints excluded: chain M residue 166 LEU Chi-restraints excluded: chain M residue 167 SER Chi-restraints excluded: chain M residue 177 LYS Chi-restraints excluded: chain M residue 188 SER Chi-restraints excluded: chain M residue 191 THR Chi-restraints excluded: chain M residue 199 LEU Chi-restraints excluded: chain M residue 204 ASP Chi-restraints excluded: chain M residue 208 THR Chi-restraints excluded: chain M residue 219 LEU Chi-restraints excluded: chain M residue 221 ILE Chi-restraints excluded: chain M residue 225 GLN Chi-restraints excluded: chain M residue 234 SER Chi-restraints excluded: chain M residue 239 ASN Chi-restraints excluded: chain M residue 246 ASN Chi-restraints excluded: chain M residue 249 ASN Chi-restraints excluded: chain M residue 251 LYS Chi-restraints excluded: chain M residue 258 LEU Chi-restraints excluded: chain M residue 262 ILE Chi-restraints excluded: chain M residue 266 THR Chi-restraints excluded: chain M residue 273 ASP Chi-restraints excluded: chain M residue 274 PHE Chi-restraints excluded: chain M residue 279 THR Chi-restraints excluded: chain M residue 280 THR Chi-restraints excluded: chain M residue 281 THR Chi-restraints excluded: chain M residue 284 SER Chi-restraints excluded: chain M residue 285 LEU Chi-restraints excluded: chain M residue 288 HIS Chi-restraints excluded: chain M residue 291 THR Chi-restraints excluded: chain M residue 292 LEU Chi-restraints excluded: chain M residue 293 THR Chi-restraints excluded: chain M residue 298 LYS Chi-restraints excluded: chain M residue 305 LEU Chi-restraints excluded: chain M residue 321 PRO Chi-restraints excluded: chain M residue 323 ARG Chi-restraints excluded: chain M residue 324 LEU Chi-restraints excluded: chain M residue 325 SER Chi-restraints excluded: chain M residue 327 ILE Chi-restraints excluded: chain M residue 329 GLU Chi-restraints excluded: chain M residue 331 ILE Chi-restraints excluded: chain M residue 333 ASP Chi-restraints excluded: chain M residue 338 TRP Chi-restraints excluded: chain M residue 339 ASP Chi-restraints excluded: chain M residue 342 LYS Chi-restraints excluded: chain M residue 343 HIS Chi-restraints excluded: chain M residue 349 LEU Chi-restraints excluded: chain M residue 351 THR Chi-restraints excluded: chain M residue 352 ILE Chi-restraints excluded: chain M residue 353 ILE Chi-restraints excluded: chain M residue 355 SER Chi-restraints excluded: chain M residue 359 VAL Chi-restraints excluded: chain M residue 365 TYR Chi-restraints excluded: chain M residue 370 ASP Chi-restraints excluded: chain M residue 371 ARG Chi-restraints excluded: chain M residue 373 SER Chi-restraints excluded: chain M residue 381 ILE Chi-restraints excluded: chain M residue 384 ILE Chi-restraints excluded: chain M residue 385 LEU Chi-restraints excluded: chain M residue 387 SER Chi-restraints excluded: chain M residue 389 ILE Chi-restraints excluded: chain M residue 397 ASP Chi-restraints excluded: chain M residue 398 VAL Chi-restraints excluded: chain M residue 400 VAL Chi-restraints excluded: chain M residue 406 HIS Chi-restraints excluded: chain M residue 407 LYS Chi-restraints excluded: chain M residue 408 TYR Chi-restraints excluded: chain M residue 411 VAL Chi-restraints excluded: chain M residue 413 LYS Chi-restraints excluded: chain M residue 425 ILE Chi-restraints excluded: chain M residue 431 VAL Chi-restraints excluded: chain M residue 447 TYR Chi-restraints excluded: chain M residue 452 THR Chi-restraints excluded: chain M residue 456 ASP Chi-restraints excluded: chain M residue 462 TYR Chi-restraints excluded: chain M residue 463 LEU Chi-restraints excluded: chain M residue 471 ILE Chi-restraints excluded: chain M residue 478 ILE Chi-restraints excluded: chain M residue 479 GLU Chi-restraints excluded: chain M residue 480 HIS Chi-restraints excluded: chain M residue 485 THR Chi-restraints excluded: chain M residue 487 PHE Chi-restraints excluded: chain M residue 489 MET Chi-restraints excluded: chain M residue 494 PHE Chi-restraints excluded: chain M residue 496 PHE Chi-restraints excluded: chain M residue 497 LEU Chi-restraints excluded: chain M residue 499 GLN Chi-restraints excluded: chain M residue 501 ILE Chi-restraints excluded: chain M residue 516 ASN Chi-restraints excluded: chain M residue 524 TYR Chi-restraints excluded: chain M residue 528 ILE Chi-restraints excluded: chain M residue 535 TYR Chi-restraints excluded: chain M residue 536 GLU Chi-restraints excluded: chain M residue 539 VAL Chi-restraints excluded: chain M residue 544 ASP Chi-restraints excluded: chain M residue 549 ILE Chi-restraints excluded: chain M residue 559 THR Chi-restraints excluded: chain M residue 564 ILE Chi-restraints excluded: chain M residue 576 GLU Chi-restraints excluded: chain M residue 580 GLN Chi-restraints excluded: chain N residue 12 TYR Chi-restraints excluded: chain N residue 13 LYS Chi-restraints excluded: chain N residue 19 PHE Chi-restraints excluded: chain N residue 25 ASP Chi-restraints excluded: chain N residue 33 GLN Chi-restraints excluded: chain N residue 34 ASP Chi-restraints excluded: chain N residue 35 MET Chi-restraints excluded: chain N residue 38 SER Chi-restraints excluded: chain N residue 40 LEU Chi-restraints excluded: chain N residue 41 SER Chi-restraints excluded: chain N residue 44 GLU Chi-restraints excluded: chain N residue 46 ASP Chi-restraints excluded: chain N residue 51 SER Chi-restraints excluded: chain N residue 58 THR Chi-restraints excluded: chain N residue 60 ARG Chi-restraints excluded: chain N residue 77 VAL Chi-restraints excluded: chain N residue 80 VAL Chi-restraints excluded: chain N residue 82 ARG Chi-restraints excluded: chain N residue 87 PHE Chi-restraints excluded: chain N residue 89 MET Chi-restraints excluded: chain N residue 93 LYS Chi-restraints excluded: chain N residue 100 SER Chi-restraints excluded: chain N residue 101 MET Chi-restraints excluded: chain N residue 107 ILE Chi-restraints excluded: chain N residue 110 ARG Chi-restraints excluded: chain N residue 116 ASP Chi-restraints excluded: chain N residue 127 ARG Chi-restraints excluded: chain N residue 131 TYR Chi-restraints excluded: chain N residue 133 LYS Chi-restraints excluded: chain N residue 135 ARG Chi-restraints excluded: chain N residue 141 LEU Chi-restraints excluded: chain N residue 157 LYS Chi-restraints excluded: chain N residue 158 THR Chi-restraints excluded: chain N residue 162 LEU Chi-restraints excluded: chain N residue 164 VAL Chi-restraints excluded: chain N residue 166 LEU Chi-restraints excluded: chain N residue 167 SER Chi-restraints excluded: chain N residue 173 LYS Chi-restraints excluded: chain N residue 177 LYS Chi-restraints excluded: chain N residue 179 PHE Chi-restraints excluded: chain N residue 188 SER Chi-restraints excluded: chain N residue 193 LEU Chi-restraints excluded: chain N residue 199 LEU Chi-restraints excluded: chain N residue 203 ILE Chi-restraints excluded: chain N residue 204 ASP Chi-restraints excluded: chain N residue 208 THR Chi-restraints excluded: chain N residue 210 ARG Chi-restraints excluded: chain N residue 211 SER Chi-restraints excluded: chain N residue 217 ILE Chi-restraints excluded: chain N residue 218 LYS Chi-restraints excluded: chain N residue 221 ILE Chi-restraints excluded: chain N residue 230 ARG Chi-restraints excluded: chain N residue 234 SER Chi-restraints excluded: chain N residue 236 PRO Chi-restraints excluded: chain N residue 239 ASN Chi-restraints excluded: chain N residue 242 LEU Chi-restraints excluded: chain N residue 245 LEU Chi-restraints excluded: chain N residue 247 VAL Chi-restraints excluded: chain N residue 249 ASN Chi-restraints excluded: chain N residue 254 ASN Chi-restraints excluded: chain N residue 256 PHE Chi-restraints excluded: chain N residue 258 LEU Chi-restraints excluded: chain N residue 266 THR Chi-restraints excluded: chain N residue 267 ARG Chi-restraints excluded: chain N residue 271 VAL Chi-restraints excluded: chain N residue 273 ASP Chi-restraints excluded: chain N residue 280 THR Chi-restraints excluded: chain N residue 281 THR Chi-restraints excluded: chain N residue 284 SER Chi-restraints excluded: chain N residue 288 HIS Chi-restraints excluded: chain N residue 290 MET Chi-restraints excluded: chain N residue 292 LEU Chi-restraints excluded: chain N residue 293 THR Chi-restraints excluded: chain N residue 297 VAL Chi-restraints excluded: chain N residue 299 SER Chi-restraints excluded: chain N residue 319 THR Chi-restraints excluded: chain N residue 321 PRO Chi-restraints excluded: chain N residue 322 ARG Chi-restraints excluded: chain N residue 323 ARG Chi-restraints excluded: chain N residue 324 LEU Chi-restraints excluded: chain N residue 325 SER Chi-restraints excluded: chain N residue 327 ILE Chi-restraints excluded: chain N residue 331 ILE Chi-restraints excluded: chain N residue 333 ASP Chi-restraints excluded: chain N residue 338 TRP Chi-restraints excluded: chain N residue 339 ASP Chi-restraints excluded: chain N residue 342 LYS Chi-restraints excluded: chain N residue 349 LEU Chi-restraints excluded: chain N residue 351 THR Chi-restraints excluded: chain N residue 352 ILE Chi-restraints excluded: chain N residue 353 ILE Chi-restraints excluded: chain N residue 359 VAL Chi-restraints excluded: chain N residue 370 ASP Chi-restraints excluded: chain N residue 373 SER Chi-restraints excluded: chain N residue 378 SER Chi-restraints excluded: chain N residue 381 ILE Chi-restraints excluded: chain N residue 383 THR Chi-restraints excluded: chain N residue 384 ILE Chi-restraints excluded: chain N residue 385 LEU Chi-restraints excluded: chain N residue 387 SER Chi-restraints excluded: chain N residue 397 ASP Chi-restraints excluded: chain N residue 398 VAL Chi-restraints excluded: chain N residue 406 HIS Chi-restraints excluded: chain N residue 407 LYS Chi-restraints excluded: chain N residue 408 TYR Chi-restraints excluded: chain N residue 413 LYS Chi-restraints excluded: chain N residue 419 THR Chi-restraints excluded: chain N residue 421 SER Chi-restraints excluded: chain N residue 428 GLU Chi-restraints excluded: chain N residue 431 VAL Chi-restraints excluded: chain N residue 441 ARG Chi-restraints excluded: chain N residue 443 ILE Chi-restraints excluded: chain N residue 446 HIS Chi-restraints excluded: chain N residue 447 TYR Chi-restraints excluded: chain N residue 451 LYS Chi-restraints excluded: chain N residue 452 THR Chi-restraints excluded: chain N residue 456 ASP Chi-restraints excluded: chain N residue 457 ASP Chi-restraints excluded: chain N residue 462 TYR Chi-restraints excluded: chain N residue 463 LEU Chi-restraints excluded: chain N residue 471 ILE Chi-restraints excluded: chain N residue 478 ILE Chi-restraints excluded: chain N residue 479 GLU Chi-restraints excluded: chain N residue 480 HIS Chi-restraints excluded: chain N residue 486 LEU Chi-restraints excluded: chain N residue 489 MET Chi-restraints excluded: chain N residue 490 VAL Chi-restraints excluded: chain N residue 494 PHE Chi-restraints excluded: chain N residue 497 LEU Chi-restraints excluded: chain N residue 499 GLN Chi-restraints excluded: chain N residue 501 ILE Chi-restraints excluded: chain N residue 528 ILE Chi-restraints excluded: chain N residue 533 PRO Chi-restraints excluded: chain N residue 535 TYR Chi-restraints excluded: chain N residue 536 GLU Chi-restraints excluded: chain N residue 539 VAL Chi-restraints excluded: chain N residue 544 ASP Chi-restraints excluded: chain N residue 549 ILE Chi-restraints excluded: chain N residue 559 THR Chi-restraints excluded: chain N residue 564 ILE Chi-restraints excluded: chain N residue 570 ASP Chi-restraints excluded: chain N residue 573 ILE Chi-restraints excluded: chain N residue 576 GLU Chi-restraints excluded: chain O residue 11 GLN Chi-restraints excluded: chain O residue 12 TYR Chi-restraints excluded: chain O residue 13 LYS Chi-restraints excluded: chain O residue 15 ILE Chi-restraints excluded: chain O residue 19 PHE Chi-restraints excluded: chain O residue 24 VAL Chi-restraints excluded: chain O residue 25 ASP Chi-restraints excluded: chain O residue 26 ASN Chi-restraints excluded: chain O residue 32 VAL Chi-restraints excluded: chain O residue 33 GLN Chi-restraints excluded: chain O residue 34 ASP Chi-restraints excluded: chain O residue 35 MET Chi-restraints excluded: chain O residue 38 SER Chi-restraints excluded: chain O residue 39 ILE Chi-restraints excluded: chain O residue 41 SER Chi-restraints excluded: chain O residue 44 GLU Chi-restraints excluded: chain O residue 50 MET Chi-restraints excluded: chain O residue 51 SER Chi-restraints excluded: chain O residue 56 SER Chi-restraints excluded: chain O residue 58 THR Chi-restraints excluded: chain O residue 65 LEU Chi-restraints excluded: chain O residue 66 LEU Chi-restraints excluded: chain O residue 72 MET Chi-restraints excluded: chain O residue 77 VAL Chi-restraints excluded: chain O residue 80 VAL Chi-restraints excluded: chain O residue 81 LEU Chi-restraints excluded: chain O residue 82 ARG Chi-restraints excluded: chain O residue 83 ILE Chi-restraints excluded: chain O residue 85 TYR Chi-restraints excluded: chain O residue 92 ILE Chi-restraints excluded: chain O residue 94 THR Chi-restraints excluded: chain O residue 97 ARG Chi-restraints excluded: chain O residue 100 SER Chi-restraints excluded: chain O residue 103 THR Chi-restraints excluded: chain O residue 104 ARG Chi-restraints excluded: chain O residue 107 ILE Chi-restraints excluded: chain O residue 110 ARG Chi-restraints excluded: chain O residue 122 LYS Chi-restraints excluded: chain O residue 127 ARG Chi-restraints excluded: chain O residue 131 TYR Chi-restraints excluded: chain O residue 135 ARG Chi-restraints excluded: chain O residue 139 LEU Chi-restraints excluded: chain O residue 141 LEU Chi-restraints excluded: chain O residue 150 ASP Chi-restraints excluded: chain O residue 153 LEU Chi-restraints excluded: chain O residue 157 LYS Chi-restraints excluded: chain O residue 158 THR Chi-restraints excluded: chain O residue 160 VAL Chi-restraints excluded: chain O residue 166 LEU Chi-restraints excluded: chain O residue 167 SER Chi-restraints excluded: chain O residue 188 SER Chi-restraints excluded: chain O residue 191 THR Chi-restraints excluded: chain O residue 199 LEU Chi-restraints excluded: chain O residue 204 ASP Chi-restraints excluded: chain O residue 208 THR Chi-restraints excluded: chain O residue 219 LEU Chi-restraints excluded: chain O residue 221 ILE Chi-restraints excluded: chain O residue 225 GLN Chi-restraints excluded: chain O residue 234 SER Chi-restraints excluded: chain O residue 239 ASN Chi-restraints excluded: chain O residue 246 ASN Chi-restraints excluded: chain O residue 251 LYS Chi-restraints excluded: chain O residue 258 LEU Chi-restraints excluded: chain O residue 262 ILE Chi-restraints excluded: chain O residue 266 THR Chi-restraints excluded: chain O residue 273 ASP Chi-restraints excluded: chain O residue 279 THR Chi-restraints excluded: chain O residue 280 THR Chi-restraints excluded: chain O residue 281 THR Chi-restraints excluded: chain O residue 284 SER Chi-restraints excluded: chain O residue 285 LEU Chi-restraints excluded: chain O residue 288 HIS Chi-restraints excluded: chain O residue 291 THR Chi-restraints excluded: chain O residue 292 LEU Chi-restraints excluded: chain O residue 293 THR Chi-restraints excluded: chain O residue 305 LEU Chi-restraints excluded: chain O residue 321 PRO Chi-restraints excluded: chain O residue 323 ARG Chi-restraints excluded: chain O residue 324 LEU Chi-restraints excluded: chain O residue 325 SER Chi-restraints excluded: chain O residue 327 ILE Chi-restraints excluded: chain O residue 329 GLU Chi-restraints excluded: chain O residue 331 ILE Chi-restraints excluded: chain O residue 333 ASP Chi-restraints excluded: chain O residue 338 TRP Chi-restraints excluded: chain O residue 339 ASP Chi-restraints excluded: chain O residue 342 LYS Chi-restraints excluded: chain O residue 343 HIS Chi-restraints excluded: chain O residue 349 LEU Chi-restraints excluded: chain O residue 351 THR Chi-restraints excluded: chain O residue 352 ILE Chi-restraints excluded: chain O residue 353 ILE Chi-restraints excluded: chain O residue 355 SER Chi-restraints excluded: chain O residue 359 VAL Chi-restraints excluded: chain O residue 365 TYR Chi-restraints excluded: chain O residue 370 ASP Chi-restraints excluded: chain O residue 371 ARG Chi-restraints excluded: chain O residue 373 SER Chi-restraints excluded: chain O residue 381 ILE Chi-restraints excluded: chain O residue 384 ILE Chi-restraints excluded: chain O residue 385 LEU Chi-restraints excluded: chain O residue 387 SER Chi-restraints excluded: chain O residue 389 ILE Chi-restraints excluded: chain O residue 400 VAL Chi-restraints excluded: chain O residue 406 HIS Chi-restraints excluded: chain O residue 407 LYS Chi-restraints excluded: chain O residue 408 TYR Chi-restraints excluded: chain O residue 411 VAL Chi-restraints excluded: chain O residue 413 LYS Chi-restraints excluded: chain O residue 414 GLN Chi-restraints excluded: chain O residue 425 ILE Chi-restraints excluded: chain O residue 431 VAL Chi-restraints excluded: chain O residue 447 TYR Chi-restraints excluded: chain O residue 452 THR Chi-restraints excluded: chain O residue 456 ASP Chi-restraints excluded: chain O residue 457 ASP Chi-restraints excluded: chain O residue 462 TYR Chi-restraints excluded: chain O residue 463 LEU Chi-restraints excluded: chain O residue 471 ILE Chi-restraints excluded: chain O residue 478 ILE Chi-restraints excluded: chain O residue 479 GLU Chi-restraints excluded: chain O residue 480 HIS Chi-restraints excluded: chain O residue 485 THR Chi-restraints excluded: chain O residue 487 PHE Chi-restraints excluded: chain O residue 489 MET Chi-restraints excluded: chain O residue 494 PHE Chi-restraints excluded: chain O residue 496 PHE Chi-restraints excluded: chain O residue 497 LEU Chi-restraints excluded: chain O residue 499 GLN Chi-restraints excluded: chain O residue 501 ILE Chi-restraints excluded: chain O residue 516 ASN Chi-restraints excluded: chain O residue 524 TYR Chi-restraints excluded: chain O residue 528 ILE Chi-restraints excluded: chain O residue 535 TYR Chi-restraints excluded: chain O residue 536 GLU Chi-restraints excluded: chain O residue 539 VAL Chi-restraints excluded: chain O residue 544 ASP Chi-restraints excluded: chain O residue 549 ILE Chi-restraints excluded: chain O residue 559 THR Chi-restraints excluded: chain O residue 564 ILE Chi-restraints excluded: chain O residue 576 GLU Chi-restraints excluded: chain O residue 580 GLN Chi-restraints excluded: chain P residue 12 TYR Chi-restraints excluded: chain P residue 13 LYS Chi-restraints excluded: chain P residue 19 PHE Chi-restraints excluded: chain P residue 25 ASP Chi-restraints excluded: chain P residue 33 GLN Chi-restraints excluded: chain P residue 34 ASP Chi-restraints excluded: chain P residue 35 MET Chi-restraints excluded: chain P residue 38 SER Chi-restraints excluded: chain P residue 39 ILE Chi-restraints excluded: chain P residue 40 LEU Chi-restraints excluded: chain P residue 41 SER Chi-restraints excluded: chain P residue 44 GLU Chi-restraints excluded: chain P residue 46 ASP Chi-restraints excluded: chain P residue 51 SER Chi-restraints excluded: chain P residue 58 THR Chi-restraints excluded: chain P residue 74 GLN Chi-restraints excluded: chain P residue 77 VAL Chi-restraints excluded: chain P residue 81 LEU Chi-restraints excluded: chain P residue 82 ARG Chi-restraints excluded: chain P residue 87 PHE Chi-restraints excluded: chain P residue 89 MET Chi-restraints excluded: chain P residue 92 ILE Chi-restraints excluded: chain P residue 93 LYS Chi-restraints excluded: chain P residue 100 SER Chi-restraints excluded: chain P residue 101 MET Chi-restraints excluded: chain P residue 104 ARG Chi-restraints excluded: chain P residue 107 ILE Chi-restraints excluded: chain P residue 110 ARG Chi-restraints excluded: chain P residue 116 ASP Chi-restraints excluded: chain P residue 127 ARG Chi-restraints excluded: chain P residue 131 TYR Chi-restraints excluded: chain P residue 133 LYS Chi-restraints excluded: chain P residue 135 ARG Chi-restraints excluded: chain P residue 141 LEU Chi-restraints excluded: chain P residue 157 LYS Chi-restraints excluded: chain P residue 158 THR Chi-restraints excluded: chain P residue 160 VAL Chi-restraints excluded: chain P residue 162 LEU Chi-restraints excluded: chain P residue 164 VAL Chi-restraints excluded: chain P residue 166 LEU Chi-restraints excluded: chain P residue 167 SER Chi-restraints excluded: chain P residue 173 LYS Chi-restraints excluded: chain P residue 177 LYS Chi-restraints excluded: chain P residue 179 PHE Chi-restraints excluded: chain P residue 188 SER Chi-restraints excluded: chain P residue 193 LEU Chi-restraints excluded: chain P residue 199 LEU Chi-restraints excluded: chain P residue 203 ILE Chi-restraints excluded: chain P residue 204 ASP Chi-restraints excluded: chain P residue 208 THR Chi-restraints excluded: chain P residue 210 ARG Chi-restraints excluded: chain P residue 211 SER Chi-restraints excluded: chain P residue 217 ILE Chi-restraints excluded: chain P residue 218 LYS Chi-restraints excluded: chain P residue 221 ILE Chi-restraints excluded: chain P residue 236 PRO Chi-restraints excluded: chain P residue 239 ASN Chi-restraints excluded: chain P residue 242 LEU Chi-restraints excluded: chain P residue 245 LEU Chi-restraints excluded: chain P residue 247 VAL Chi-restraints excluded: chain P residue 249 ASN Chi-restraints excluded: chain P residue 254 ASN Chi-restraints excluded: chain P residue 256 PHE Chi-restraints excluded: chain P residue 258 LEU Chi-restraints excluded: chain P residue 266 THR Chi-restraints excluded: chain P residue 267 ARG Chi-restraints excluded: chain P residue 271 VAL Chi-restraints excluded: chain P residue 273 ASP Chi-restraints excluded: chain P residue 280 THR Chi-restraints excluded: chain P residue 281 THR Chi-restraints excluded: chain P residue 284 SER Chi-restraints excluded: chain P residue 288 HIS Chi-restraints excluded: chain P residue 290 MET Chi-restraints excluded: chain P residue 292 LEU Chi-restraints excluded: chain P residue 293 THR Chi-restraints excluded: chain P residue 297 VAL Chi-restraints excluded: chain P residue 299 SER Chi-restraints excluded: chain P residue 319 THR Chi-restraints excluded: chain P residue 321 PRO Chi-restraints excluded: chain P residue 322 ARG Chi-restraints excluded: chain P residue 323 ARG Chi-restraints excluded: chain P residue 324 LEU Chi-restraints excluded: chain P residue 325 SER Chi-restraints excluded: chain P residue 327 ILE Chi-restraints excluded: chain P residue 331 ILE Chi-restraints excluded: chain P residue 333 ASP Chi-restraints excluded: chain P residue 338 TRP Chi-restraints excluded: chain P residue 339 ASP Chi-restraints excluded: chain P residue 342 LYS Chi-restraints excluded: chain P residue 349 LEU Chi-restraints excluded: chain P residue 351 THR Chi-restraints excluded: chain P residue 352 ILE Chi-restraints excluded: chain P residue 353 ILE Chi-restraints excluded: chain P residue 359 VAL Chi-restraints excluded: chain P residue 370 ASP Chi-restraints excluded: chain P residue 373 SER Chi-restraints excluded: chain P residue 378 SER Chi-restraints excluded: chain P residue 381 ILE Chi-restraints excluded: chain P residue 383 THR Chi-restraints excluded: chain P residue 384 ILE Chi-restraints excluded: chain P residue 385 LEU Chi-restraints excluded: chain P residue 387 SER Chi-restraints excluded: chain P residue 397 ASP Chi-restraints excluded: chain P residue 398 VAL Chi-restraints excluded: chain P residue 406 HIS Chi-restraints excluded: chain P residue 407 LYS Chi-restraints excluded: chain P residue 408 TYR Chi-restraints excluded: chain P residue 413 LYS Chi-restraints excluded: chain P residue 419 THR Chi-restraints excluded: chain P residue 421 SER Chi-restraints excluded: chain P residue 428 GLU Chi-restraints excluded: chain P residue 431 VAL Chi-restraints excluded: chain P residue 441 ARG Chi-restraints excluded: chain P residue 443 ILE Chi-restraints excluded: chain P residue 446 HIS Chi-restraints excluded: chain P residue 447 TYR Chi-restraints excluded: chain P residue 452 THR Chi-restraints excluded: chain P residue 456 ASP Chi-restraints excluded: chain P residue 457 ASP Chi-restraints excluded: chain P residue 462 TYR Chi-restraints excluded: chain P residue 463 LEU Chi-restraints excluded: chain P residue 471 ILE Chi-restraints excluded: chain P residue 478 ILE Chi-restraints excluded: chain P residue 479 GLU Chi-restraints excluded: chain P residue 480 HIS Chi-restraints excluded: chain P residue 486 LEU Chi-restraints excluded: chain P residue 489 MET Chi-restraints excluded: chain P residue 490 VAL Chi-restraints excluded: chain P residue 494 PHE Chi-restraints excluded: chain P residue 497 LEU Chi-restraints excluded: chain P residue 499 GLN Chi-restraints excluded: chain P residue 501 ILE Chi-restraints excluded: chain P residue 528 ILE Chi-restraints excluded: chain P residue 533 PRO Chi-restraints excluded: chain P residue 535 TYR Chi-restraints excluded: chain P residue 536 GLU Chi-restraints excluded: chain P residue 539 VAL Chi-restraints excluded: chain P residue 544 ASP Chi-restraints excluded: chain P residue 549 ILE Chi-restraints excluded: chain P residue 559 THR Chi-restraints excluded: chain P residue 564 ILE Chi-restraints excluded: chain P residue 570 ASP Chi-restraints excluded: chain P residue 573 ILE Chi-restraints excluded: chain P residue 576 GLU Chi-restraints excluded: chain Q residue 11 GLN Chi-restraints excluded: chain Q residue 12 TYR Chi-restraints excluded: chain Q residue 13 LYS Chi-restraints excluded: chain Q residue 14 ASP Chi-restraints excluded: chain Q residue 15 ILE Chi-restraints excluded: chain Q residue 19 PHE Chi-restraints excluded: chain Q residue 24 VAL Chi-restraints excluded: chain Q residue 25 ASP Chi-restraints excluded: chain Q residue 26 ASN Chi-restraints excluded: chain Q residue 32 VAL Chi-restraints excluded: chain Q residue 33 GLN Chi-restraints excluded: chain Q residue 34 ASP Chi-restraints excluded: chain Q residue 35 MET Chi-restraints excluded: chain Q residue 38 SER Chi-restraints excluded: chain Q residue 39 ILE Chi-restraints excluded: chain Q residue 41 SER Chi-restraints excluded: chain Q residue 44 GLU Chi-restraints excluded: chain Q residue 50 MET Chi-restraints excluded: chain Q residue 51 SER Chi-restraints excluded: chain Q residue 56 SER Chi-restraints excluded: chain Q residue 58 THR Chi-restraints excluded: chain Q residue 65 LEU Chi-restraints excluded: chain Q residue 66 LEU Chi-restraints excluded: chain Q residue 72 MET Chi-restraints excluded: chain Q residue 77 VAL Chi-restraints excluded: chain Q residue 80 VAL Chi-restraints excluded: chain Q residue 81 LEU Chi-restraints excluded: chain Q residue 82 ARG Chi-restraints excluded: chain Q residue 83 ILE Chi-restraints excluded: chain Q residue 85 TYR Chi-restraints excluded: chain Q residue 92 ILE Chi-restraints excluded: chain Q residue 94 THR Chi-restraints excluded: chain Q residue 97 ARG Chi-restraints excluded: chain Q residue 100 SER Chi-restraints excluded: chain Q residue 107 ILE Chi-restraints excluded: chain Q residue 110 ARG Chi-restraints excluded: chain Q residue 122 LYS Chi-restraints excluded: chain Q residue 127 ARG Chi-restraints excluded: chain Q residue 131 TYR Chi-restraints excluded: chain Q residue 135 ARG Chi-restraints excluded: chain Q residue 139 LEU Chi-restraints excluded: chain Q residue 141 LEU Chi-restraints excluded: chain Q residue 150 ASP Chi-restraints excluded: chain Q residue 153 LEU Chi-restraints excluded: chain Q residue 157 LYS Chi-restraints excluded: chain Q residue 158 THR Chi-restraints excluded: chain Q residue 160 VAL Chi-restraints excluded: chain Q residue 166 LEU Chi-restraints excluded: chain Q residue 167 SER Chi-restraints excluded: chain Q residue 181 LEU Chi-restraints excluded: chain Q residue 188 SER Chi-restraints excluded: chain Q residue 191 THR Chi-restraints excluded: chain Q residue 204 ASP Chi-restraints excluded: chain Q residue 208 THR Chi-restraints excluded: chain Q residue 221 ILE Chi-restraints excluded: chain Q residue 225 GLN Chi-restraints excluded: chain Q residue 234 SER Chi-restraints excluded: chain Q residue 239 ASN Chi-restraints excluded: chain Q residue 246 ASN Chi-restraints excluded: chain Q residue 249 ASN Chi-restraints excluded: chain Q residue 251 LYS Chi-restraints excluded: chain Q residue 258 LEU Chi-restraints excluded: chain Q residue 262 ILE Chi-restraints excluded: chain Q residue 266 THR Chi-restraints excluded: chain Q residue 273 ASP Chi-restraints excluded: chain Q residue 274 PHE Chi-restraints excluded: chain Q residue 275 LEU Chi-restraints excluded: chain Q residue 276 SER Chi-restraints excluded: chain Q residue 279 THR Chi-restraints excluded: chain Q residue 280 THR Chi-restraints excluded: chain Q residue 281 THR Chi-restraints excluded: chain Q residue 284 SER Chi-restraints excluded: chain Q residue 285 LEU Chi-restraints excluded: chain Q residue 288 HIS Chi-restraints excluded: chain Q residue 291 THR Chi-restraints excluded: chain Q residue 292 LEU Chi-restraints excluded: chain Q residue 293 THR Chi-restraints excluded: chain Q residue 305 LEU Chi-restraints excluded: chain Q residue 321 PRO Chi-restraints excluded: chain Q residue 323 ARG Chi-restraints excluded: chain Q residue 324 LEU Chi-restraints excluded: chain Q residue 325 SER Chi-restraints excluded: chain Q residue 326 ILE Chi-restraints excluded: chain Q residue 327 ILE Chi-restraints excluded: chain Q residue 329 GLU Chi-restraints excluded: chain Q residue 331 ILE Chi-restraints excluded: chain Q residue 333 ASP Chi-restraints excluded: chain Q residue 338 TRP Chi-restraints excluded: chain Q residue 339 ASP Chi-restraints excluded: chain Q residue 349 LEU Chi-restraints excluded: chain Q residue 351 THR Chi-restraints excluded: chain Q residue 352 ILE Chi-restraints excluded: chain Q residue 353 ILE Chi-restraints excluded: chain Q residue 355 SER Chi-restraints excluded: chain Q residue 359 VAL Chi-restraints excluded: chain Q residue 367 LYS Chi-restraints excluded: chain Q residue 370 ASP Chi-restraints excluded: chain Q residue 371 ARG Chi-restraints excluded: chain Q residue 373 SER Chi-restraints excluded: chain Q residue 381 ILE Chi-restraints excluded: chain Q residue 384 ILE Chi-restraints excluded: chain Q residue 385 LEU Chi-restraints excluded: chain Q residue 387 SER Chi-restraints excluded: chain Q residue 389 ILE Chi-restraints excluded: chain Q residue 400 VAL Chi-restraints excluded: chain Q residue 406 HIS Chi-restraints excluded: chain Q residue 407 LYS Chi-restraints excluded: chain Q residue 408 TYR Chi-restraints excluded: chain Q residue 411 VAL Chi-restraints excluded: chain Q residue 413 LYS Chi-restraints excluded: chain Q residue 414 GLN Chi-restraints excluded: chain Q residue 425 ILE Chi-restraints excluded: chain Q residue 431 VAL Chi-restraints excluded: chain Q residue 447 TYR Chi-restraints excluded: chain Q residue 452 THR Chi-restraints excluded: chain Q residue 456 ASP Chi-restraints excluded: chain Q residue 462 TYR Chi-restraints excluded: chain Q residue 463 LEU Chi-restraints excluded: chain Q residue 471 ILE Chi-restraints excluded: chain Q residue 478 ILE Chi-restraints excluded: chain Q residue 479 GLU Chi-restraints excluded: chain Q residue 480 HIS Chi-restraints excluded: chain Q residue 485 THR Chi-restraints excluded: chain Q residue 487 PHE Chi-restraints excluded: chain Q residue 489 MET Chi-restraints excluded: chain Q residue 494 PHE Chi-restraints excluded: chain Q residue 497 LEU Chi-restraints excluded: chain Q residue 499 GLN Chi-restraints excluded: chain Q residue 501 ILE Chi-restraints excluded: chain Q residue 516 ASN Chi-restraints excluded: chain Q residue 524 TYR Chi-restraints excluded: chain Q residue 528 ILE Chi-restraints excluded: chain Q residue 535 TYR Chi-restraints excluded: chain Q residue 536 GLU Chi-restraints excluded: chain Q residue 539 VAL Chi-restraints excluded: chain Q residue 544 ASP Chi-restraints excluded: chain Q residue 549 ILE Chi-restraints excluded: chain Q residue 559 THR Chi-restraints excluded: chain Q residue 564 ILE Chi-restraints excluded: chain Q residue 576 GLU Chi-restraints excluded: chain Q residue 580 GLN Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 8.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 239 ASN ** C 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 345 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 69 GLN ** F 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 109 GLN ** G 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 239 ASN ** G 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 239 ASN ** M 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 239 ASN ** O 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 414 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 239 ASN ** Q 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 414 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 7 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7984 moved from start: 1.6834 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.040 0.322 113878 Z= 2.415 Angle : 2.874 34.736 154904 Z= 1.373 Chirality : 0.115 0.587 19294 Planarity : 0.016 0.130 20033 Dihedral : 16.582 172.664 18240 Min Nonbonded Distance : 1.859 Molprobity Statistics. All-atom Clashscore : 101.51 Ramachandran Plot: Outliers : 1.75 % Allowed : 39.77 % Favored : 58.48 % Rotamer: Outliers : 31.97 % Allowed : 26.48 % Favored : 41.55 % Cbeta Deviations : 0.35 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.21 % Twisted Proline : 7.50 % Twisted General : 5.08 % 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: -7.58 (0.06), residues: 8464 helix: -4.81 (0.03), residues: 4800 sheet: -5.21 (0.12), residues: 528 loop : -5.08 (0.09), residues: 3136 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.049 0.010 TRP F 159 HIS 0.027 0.009 HIS H 440 PHE 0.086 0.010 PHE Q 496 TYR 0.073 0.009 TYR C 462 ARG 0.030 0.004 ARG N 82 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 16928 Ramachandran restraints generated. 8464 Oldfield, 0 Emsley, 8464 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 16928 Ramachandran restraints generated. 8464 Oldfield, 0 Emsley, 8464 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3281 residues out of total 8256 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2558 poor density : 723 time to evaluate : 6.882 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 35 MET cc_start: 0.8338 (OUTLIER) cc_final: 0.8029 (pmm) REVERT: A 101 MET cc_start: 0.8691 (OUTLIER) cc_final: 0.8254 (tpt) REVERT: A 104 ARG cc_start: 0.9155 (OUTLIER) cc_final: 0.8853 (mtm110) REVERT: A 110 ARG cc_start: 0.9454 (OUTLIER) cc_final: 0.9023 (ttm-80) REVERT: A 131 TYR cc_start: 0.9478 (OUTLIER) cc_final: 0.8721 (t80) REVERT: A 157 LYS cc_start: 0.6556 (OUTLIER) cc_final: 0.4058 (pttm) REVERT: A 210 ARG cc_start: 0.8437 (OUTLIER) cc_final: 0.7550 (tmm-80) REVERT: A 327 ILE cc_start: 0.9425 (OUTLIER) cc_final: 0.9066 (mt) REVERT: A 447 TYR cc_start: 0.7477 (OUTLIER) cc_final: 0.6871 (t80) REVERT: A 479 GLU cc_start: 0.6140 (OUTLIER) cc_final: 0.4808 (tt0) REVERT: A 496 PHE cc_start: -0.0388 (OUTLIER) cc_final: -0.0638 (m-80) REVERT: C 12 TYR cc_start: 0.9329 (OUTLIER) cc_final: 0.8307 (t80) REVERT: C 33 GLN cc_start: 0.7578 (OUTLIER) cc_final: 0.6267 (pp30) REVERT: C 65 LEU cc_start: 0.9164 (OUTLIER) cc_final: 0.8681 (tp) REVERT: C 110 ARG cc_start: 0.9449 (OUTLIER) cc_final: 0.8439 (ttm-80) REVERT: C 117 ASN cc_start: 0.9263 (OUTLIER) cc_final: 0.9060 (m-40) REVERT: C 181 LEU cc_start: 0.9497 (OUTLIER) cc_final: 0.9166 (mp) REVERT: C 249 ASN cc_start: 0.9133 (OUTLIER) cc_final: 0.8916 (p0) REVERT: C 371 ARG cc_start: 0.7527 (OUTLIER) cc_final: 0.7013 (mmm160) REVERT: C 430 LYS cc_start: 0.8534 (tttm) cc_final: 0.8189 (tptp) REVERT: C 462 TYR cc_start: 0.6367 (OUTLIER) cc_final: 0.4829 (m-10) REVERT: C 480 HIS cc_start: 0.8416 (OUTLIER) cc_final: 0.7913 (p-80) REVERT: C 487 PHE cc_start: 0.7858 (OUTLIER) cc_final: 0.7440 (t80) REVERT: C 524 TYR cc_start: 0.8336 (OUTLIER) cc_final: 0.7897 (m-80) REVERT: C 580 GLN cc_start: 0.7989 (OUTLIER) cc_final: 0.7441 (mm110) REVERT: D 35 MET cc_start: 0.8499 (OUTLIER) cc_final: 0.8203 (pmm) REVERT: D 101 MET cc_start: 0.8672 (OUTLIER) cc_final: 0.8259 (tpt) REVERT: D 104 ARG cc_start: 0.9072 (OUTLIER) cc_final: 0.8796 (mtm110) REVERT: D 110 ARG cc_start: 0.9455 (OUTLIER) cc_final: 0.9047 (ttm-80) REVERT: D 131 TYR cc_start: 0.9486 (OUTLIER) cc_final: 0.8693 (t80) REVERT: D 210 ARG cc_start: 0.8444 (OUTLIER) cc_final: 0.7555 (tmm-80) REVERT: D 267 ARG cc_start: 0.9088 (OUTLIER) cc_final: 0.8458 (ttt180) REVERT: D 327 ILE cc_start: 0.9485 (OUTLIER) cc_final: 0.9109 (mt) REVERT: D 447 TYR cc_start: 0.7556 (OUTLIER) cc_final: 0.6929 (t80) REVERT: D 479 GLU cc_start: 0.6145 (OUTLIER) cc_final: 0.4815 (tt0) REVERT: D 496 PHE cc_start: -0.0351 (OUTLIER) cc_final: -0.0616 (m-80) REVERT: E 12 TYR cc_start: 0.9322 (OUTLIER) cc_final: 0.8335 (t80) REVERT: E 33 GLN cc_start: 0.7874 (OUTLIER) cc_final: 0.6442 (pp30) REVERT: E 65 LEU cc_start: 0.9169 (OUTLIER) cc_final: 0.8684 (tp) REVERT: E 110 ARG cc_start: 0.9451 (OUTLIER) cc_final: 0.8447 (ttm-80) REVERT: E 117 ASN cc_start: 0.9262 (OUTLIER) cc_final: 0.9058 (m-40) REVERT: E 169 LYS cc_start: 0.9369 (OUTLIER) cc_final: 0.9001 (ttmm) REVERT: E 181 LEU cc_start: 0.9483 (OUTLIER) cc_final: 0.9177 (mp) REVERT: E 249 ASN cc_start: 0.9100 (OUTLIER) cc_final: 0.8900 (p0) REVERT: E 371 ARG cc_start: 0.7415 (OUTLIER) cc_final: 0.6195 (mmm160) REVERT: E 480 HIS cc_start: 0.8492 (OUTLIER) cc_final: 0.8018 (p-80) REVERT: E 487 PHE cc_start: 0.8132 (OUTLIER) cc_final: 0.7738 (t80) REVERT: E 494 PHE cc_start: 0.6287 (OUTLIER) cc_final: 0.5512 (m-10) REVERT: E 580 GLN cc_start: 0.8104 (OUTLIER) cc_final: 0.7633 (mm-40) REVERT: F 35 MET cc_start: 0.8472 (OUTLIER) cc_final: 0.8177 (pmm) REVERT: F 74 GLN cc_start: 0.9401 (OUTLIER) cc_final: 0.9111 (tp40) REVERT: F 101 MET cc_start: 0.8720 (OUTLIER) cc_final: 0.8291 (tpt) REVERT: F 104 ARG cc_start: 0.9147 (OUTLIER) cc_final: 0.8860 (mtm110) REVERT: F 110 ARG cc_start: 0.9454 (OUTLIER) cc_final: 0.9052 (ttm-80) REVERT: F 131 TYR cc_start: 0.9484 (OUTLIER) cc_final: 0.8698 (t80) REVERT: F 210 ARG cc_start: 0.8440 (OUTLIER) cc_final: 0.7544 (tmm-80) REVERT: F 249 ASN cc_start: 0.9084 (OUTLIER) cc_final: 0.8841 (p0) REVERT: F 267 ARG cc_start: 0.9086 (OUTLIER) cc_final: 0.8464 (ttt180) REVERT: F 327 ILE cc_start: 0.9486 (OUTLIER) cc_final: 0.9106 (mt) REVERT: F 447 TYR cc_start: 0.7510 (OUTLIER) cc_final: 0.6895 (t80) REVERT: F 479 GLU cc_start: 0.6140 (OUTLIER) cc_final: 0.4800 (tt0) REVERT: F 496 PHE cc_start: -0.0353 (OUTLIER) cc_final: -0.0608 (m-80) REVERT: G 12 TYR cc_start: 0.9332 (OUTLIER) cc_final: 0.8312 (t80) REVERT: G 33 GLN cc_start: 0.7860 (OUTLIER) cc_final: 0.6432 (pp30) REVERT: G 65 LEU cc_start: 0.9161 (OUTLIER) cc_final: 0.8688 (tp) REVERT: G 104 ARG cc_start: 0.9155 (OUTLIER) cc_final: 0.8817 (mtm110) REVERT: G 110 ARG cc_start: 0.9469 (OUTLIER) cc_final: 0.8488 (ttm-80) REVERT: G 249 ASN cc_start: 0.9131 (OUTLIER) cc_final: 0.8899 (p0) REVERT: G 371 ARG cc_start: 0.7433 (OUTLIER) cc_final: 0.6188 (mmm160) REVERT: G 430 LYS cc_start: 0.8750 (tttm) cc_final: 0.8324 (tptm) REVERT: G 480 HIS cc_start: 0.8485 (OUTLIER) cc_final: 0.8019 (p-80) REVERT: G 487 PHE cc_start: 0.8133 (OUTLIER) cc_final: 0.7710 (t80) REVERT: G 494 PHE cc_start: 0.6303 (OUTLIER) cc_final: 0.5558 (m-10) REVERT: G 524 TYR cc_start: 0.8325 (OUTLIER) cc_final: 0.8027 (m-10) REVERT: G 535 TYR cc_start: 0.8393 (OUTLIER) cc_final: 0.8167 (t80) REVERT: G 580 GLN cc_start: 0.8106 (OUTLIER) cc_final: 0.7630 (mm110) REVERT: H 35 MET cc_start: 0.8378 (OUTLIER) cc_final: 0.8078 (pmm) REVERT: H 101 MET cc_start: 0.8714 (OUTLIER) cc_final: 0.8282 (tpt) REVERT: H 104 ARG cc_start: 0.9144 (OUTLIER) cc_final: 0.8854 (mtm110) REVERT: H 110 ARG cc_start: 0.9460 (OUTLIER) cc_final: 0.9053 (ttm-80) REVERT: H 127 ARG cc_start: 0.9341 (OUTLIER) cc_final: 0.7747 (mtp180) REVERT: H 131 TYR cc_start: 0.9481 (OUTLIER) cc_final: 0.8700 (t80) REVERT: H 133 LYS cc_start: 0.9117 (OUTLIER) cc_final: 0.8699 (tptt) REVERT: H 210 ARG cc_start: 0.8448 (OUTLIER) cc_final: 0.7553 (tmm-80) REVERT: H 249 ASN cc_start: 0.9070 (OUTLIER) cc_final: 0.8827 (p0) REVERT: H 267 ARG cc_start: 0.9090 (OUTLIER) cc_final: 0.8446 (ttt180) REVERT: H 327 ILE cc_start: 0.9510 (OUTLIER) cc_final: 0.9098 (mt) REVERT: H 447 TYR cc_start: 0.7610 (OUTLIER) cc_final: 0.6973 (t80) REVERT: H 479 GLU cc_start: 0.6128 (OUTLIER) cc_final: 0.4785 (tt0) REVERT: H 488 ARG cc_start: 0.7058 (mmt180) cc_final: 0.6804 (mmt180) REVERT: H 496 PHE cc_start: -0.0337 (OUTLIER) cc_final: -0.0599 (m-80) REVERT: I 12 TYR cc_start: 0.9311 (OUTLIER) cc_final: 0.8312 (t80) REVERT: I 33 GLN cc_start: 0.7875 (OUTLIER) cc_final: 0.6851 (pt0) REVERT: I 65 LEU cc_start: 0.9164 (OUTLIER) cc_final: 0.8681 (tp) REVERT: I 110 ARG cc_start: 0.9457 (OUTLIER) cc_final: 0.8460 (ttm-80) REVERT: I 181 LEU cc_start: 0.9498 (OUTLIER) cc_final: 0.9138 (mp) REVERT: I 249 ASN cc_start: 0.9160 (OUTLIER) cc_final: 0.8932 (p0) REVERT: I 371 ARG cc_start: 0.7499 (OUTLIER) cc_final: 0.6253 (mmm160) REVERT: I 480 HIS cc_start: 0.8485 (OUTLIER) cc_final: 0.8025 (p-80) REVERT: I 487 PHE cc_start: 0.8121 (OUTLIER) cc_final: 0.7719 (t80) REVERT: I 494 PHE cc_start: 0.6296 (OUTLIER) cc_final: 0.5519 (m-10) REVERT: I 580 GLN cc_start: 0.8101 (OUTLIER) cc_final: 0.7637 (mm110) REVERT: J 35 MET cc_start: 0.8411 (OUTLIER) cc_final: 0.8099 (pmm) REVERT: J 101 MET cc_start: 0.8652 (OUTLIER) cc_final: 0.8257 (tpt) REVERT: J 104 ARG cc_start: 0.9105 (OUTLIER) cc_final: 0.8804 (mtm110) REVERT: J 110 ARG cc_start: 0.9463 (OUTLIER) cc_final: 0.9042 (ttm-80) REVERT: J 127 ARG cc_start: 0.9342 (OUTLIER) cc_final: 0.8772 (mtp180) REVERT: J 131 TYR cc_start: 0.9490 (OUTLIER) cc_final: 0.8713 (t80) REVERT: J 133 LYS cc_start: 0.9119 (OUTLIER) cc_final: 0.8723 (tptt) REVERT: J 251 LYS cc_start: 0.9362 (OUTLIER) cc_final: 0.9054 (ttmt) REVERT: J 267 ARG cc_start: 0.9092 (OUTLIER) cc_final: 0.8436 (ttt180) REVERT: J 327 ILE cc_start: 0.9481 (OUTLIER) cc_final: 0.9086 (mt) REVERT: J 446 HIS cc_start: 0.9318 (OUTLIER) cc_final: 0.9105 (m90) REVERT: J 447 TYR cc_start: 0.7531 (OUTLIER) cc_final: 0.6926 (t80) REVERT: J 476 LYS cc_start: 0.8232 (OUTLIER) cc_final: 0.7860 (mmtm) REVERT: J 479 GLU cc_start: 0.6128 (OUTLIER) cc_final: 0.4794 (tt0) REVERT: J 496 PHE cc_start: -0.0349 (OUTLIER) cc_final: -0.0604 (m-80) REVERT: J 522 LYS cc_start: 0.8816 (OUTLIER) cc_final: 0.8387 (mmmt) REVERT: K 12 TYR cc_start: 0.9333 (OUTLIER) cc_final: 0.8323 (t80) REVERT: K 33 GLN cc_start: 0.7830 (OUTLIER) cc_final: 0.6399 (pp30) REVERT: K 65 LEU cc_start: 0.9159 (OUTLIER) cc_final: 0.8686 (tp) REVERT: K 85 TYR cc_start: 0.9082 (OUTLIER) cc_final: 0.8606 (m-80) REVERT: K 110 ARG cc_start: 0.9443 (OUTLIER) cc_final: 0.8426 (ttm-80) REVERT: K 135 ARG cc_start: 0.9432 (OUTLIER) cc_final: 0.8396 (ttm-80) REVERT: K 169 LYS cc_start: 0.9366 (OUTLIER) cc_final: 0.9006 (ttmm) REVERT: K 181 LEU cc_start: 0.9464 (OUTLIER) cc_final: 0.9205 (mp) REVERT: K 371 ARG cc_start: 0.7427 (OUTLIER) cc_final: 0.6215 (mmm160) REVERT: K 480 HIS cc_start: 0.8465 (OUTLIER) cc_final: 0.7982 (p-80) REVERT: K 487 PHE cc_start: 0.8156 (OUTLIER) cc_final: 0.7795 (t80) REVERT: K 494 PHE cc_start: 0.6281 (OUTLIER) cc_final: 0.5528 (m-10) REVERT: K 524 TYR cc_start: 0.8308 (OUTLIER) cc_final: 0.8060 (m-10) REVERT: K 535 TYR cc_start: 0.8402 (OUTLIER) cc_final: 0.8159 (t80) REVERT: K 580 GLN cc_start: 0.8107 (OUTLIER) cc_final: 0.7642 (mm-40) REVERT: L 101 MET cc_start: 0.8725 (OUTLIER) cc_final: 0.8292 (tpt) REVERT: L 104 ARG cc_start: 0.9159 (OUTLIER) cc_final: 0.8868 (mtm110) REVERT: L 110 ARG cc_start: 0.9475 (OUTLIER) cc_final: 0.9031 (ttm-80) REVERT: L 127 ARG cc_start: 0.9340 (OUTLIER) cc_final: 0.8745 (mtp180) REVERT: L 131 TYR cc_start: 0.9485 (OUTLIER) cc_final: 0.8764 (t80) REVERT: L 133 LYS cc_start: 0.9124 (OUTLIER) cc_final: 0.8734 (tptt) REVERT: L 210 ARG cc_start: 0.8460 (OUTLIER) cc_final: 0.7546 (tmm-80) REVERT: L 267 ARG cc_start: 0.9135 (OUTLIER) cc_final: 0.8549 (ttt180) REVERT: L 327 ILE cc_start: 0.9479 (OUTLIER) cc_final: 0.9081 (mt) REVERT: L 426 TYR cc_start: 0.8676 (m-80) cc_final: 0.8463 (m-80) REVERT: L 447 TYR cc_start: 0.7482 (OUTLIER) cc_final: 0.6879 (t80) REVERT: L 479 GLU cc_start: 0.6114 (OUTLIER) cc_final: 0.4786 (tt0) REVERT: L 496 PHE cc_start: -0.0371 (OUTLIER) cc_final: -0.0624 (m-80) REVERT: M 12 TYR cc_start: 0.9345 (OUTLIER) cc_final: 0.8299 (t80) REVERT: M 33 GLN cc_start: 0.7859 (OUTLIER) cc_final: 0.6804 (pt0) REVERT: M 65 LEU cc_start: 0.9169 (OUTLIER) cc_final: 0.8673 (tp) REVERT: M 85 TYR cc_start: 0.9091 (OUTLIER) cc_final: 0.8621 (m-80) REVERT: M 110 ARG cc_start: 0.9465 (OUTLIER) cc_final: 0.8494 (ttm-80) REVERT: M 371 ARG cc_start: 0.7573 (OUTLIER) cc_final: 0.7085 (mmm160) REVERT: M 397 ASP cc_start: 0.5864 (OUTLIER) cc_final: 0.5630 (t0) REVERT: M 480 HIS cc_start: 0.8464 (OUTLIER) cc_final: 0.8010 (p-80) REVERT: M 487 PHE cc_start: 0.8131 (OUTLIER) cc_final: 0.7725 (t80) REVERT: M 494 PHE cc_start: 0.6286 (OUTLIER) cc_final: 0.5521 (m-10) REVERT: M 535 TYR cc_start: 0.8391 (OUTLIER) cc_final: 0.8162 (t80) REVERT: M 580 GLN cc_start: 0.8104 (OUTLIER) cc_final: 0.7642 (mm110) REVERT: N 35 MET cc_start: 0.8490 (OUTLIER) cc_final: 0.8161 (pmm) REVERT: N 101 MET cc_start: 0.8663 (OUTLIER) cc_final: 0.8242 (tpt) REVERT: N 104 ARG cc_start: 0.9104 (OUTLIER) cc_final: 0.8819 (mtm110) REVERT: N 110 ARG cc_start: 0.9462 (OUTLIER) cc_final: 0.9061 (ttm-80) REVERT: N 131 TYR cc_start: 0.9489 (OUTLIER) cc_final: 0.8703 (t80) REVERT: N 133 LYS cc_start: 0.9111 (OUTLIER) cc_final: 0.8784 (tptt) REVERT: N 210 ARG cc_start: 0.8432 (OUTLIER) cc_final: 0.7540 (tmm-80) REVERT: N 267 ARG cc_start: 0.9183 (OUTLIER) cc_final: 0.8676 (ttt180) REVERT: N 327 ILE cc_start: 0.9477 (OUTLIER) cc_final: 0.9084 (mt) REVERT: N 447 TYR cc_start: 0.7548 (OUTLIER) cc_final: 0.6926 (t80) REVERT: N 479 GLU cc_start: 0.6148 (OUTLIER) cc_final: 0.4799 (tt0) REVERT: N 488 ARG cc_start: 0.7039 (mmt180) cc_final: 0.6798 (mmt180) REVERT: N 496 PHE cc_start: -0.0366 (OUTLIER) cc_final: -0.0626 (m-80) REVERT: O 12 TYR cc_start: 0.9346 (OUTLIER) cc_final: 0.8432 (t80) REVERT: O 33 GLN cc_start: 0.7856 (OUTLIER) cc_final: 0.6472 (pp30) REVERT: O 56 SER cc_start: 0.9638 (OUTLIER) cc_final: 0.9416 (t) REVERT: O 65 LEU cc_start: 0.9165 (OUTLIER) cc_final: 0.8655 (tp) REVERT: O 85 TYR cc_start: 0.9075 (OUTLIER) cc_final: 0.8601 (m-80) REVERT: O 87 PHE cc_start: 0.5287 (OUTLIER) cc_final: 0.4987 (m-80) REVERT: O 110 ARG cc_start: 0.9457 (OUTLIER) cc_final: 0.8440 (ttm-80) REVERT: O 135 ARG cc_start: 0.9430 (OUTLIER) cc_final: 0.8405 (ttm-80) REVERT: O 181 LEU cc_start: 0.9479 (OUTLIER) cc_final: 0.9172 (mp) REVERT: O 371 ARG cc_start: 0.7512 (OUTLIER) cc_final: 0.6994 (mmm160) REVERT: O 480 HIS cc_start: 0.8489 (OUTLIER) cc_final: 0.8014 (p-80) REVERT: O 487 PHE cc_start: 0.8116 (OUTLIER) cc_final: 0.7717 (t80) REVERT: O 494 PHE cc_start: 0.6301 (OUTLIER) cc_final: 0.5546 (m-10) REVERT: O 524 TYR cc_start: 0.8323 (OUTLIER) cc_final: 0.8019 (m-10) REVERT: O 535 TYR cc_start: 0.8395 (OUTLIER) cc_final: 0.8167 (t80) REVERT: O 580 GLN cc_start: 0.8114 (OUTLIER) cc_final: 0.7639 (mm110) REVERT: P 74 GLN cc_start: 0.9400 (OUTLIER) cc_final: 0.9120 (tp40) REVERT: P 101 MET cc_start: 0.8731 (OUTLIER) cc_final: 0.8314 (tpt) REVERT: P 104 ARG cc_start: 0.9121 (OUTLIER) cc_final: 0.8789 (mtm110) REVERT: P 110 ARG cc_start: 0.9462 (OUTLIER) cc_final: 0.9029 (ttm-80) REVERT: P 131 TYR cc_start: 0.9488 (OUTLIER) cc_final: 0.8712 (t80) REVERT: P 133 LYS cc_start: 0.9123 (OUTLIER) cc_final: 0.8768 (tptt) REVERT: P 267 ARG cc_start: 0.9194 (OUTLIER) cc_final: 0.8703 (ttt180) REVERT: P 327 ILE cc_start: 0.9481 (OUTLIER) cc_final: 0.9094 (mt) REVERT: P 447 TYR cc_start: 0.7548 (OUTLIER) cc_final: 0.6930 (t80) REVERT: P 479 GLU cc_start: 0.6156 (OUTLIER) cc_final: 0.4821 (tt0) REVERT: P 496 PHE cc_start: -0.0357 (OUTLIER) cc_final: -0.0622 (m-80) REVERT: Q 12 TYR cc_start: 0.9335 (OUTLIER) cc_final: 0.8268 (t80) REVERT: Q 33 GLN cc_start: 0.7861 (OUTLIER) cc_final: 0.6483 (pp30) REVERT: Q 65 LEU cc_start: 0.9163 (OUTLIER) cc_final: 0.8691 (tp) REVERT: Q 85 TYR cc_start: 0.9085 (OUTLIER) cc_final: 0.8618 (m-80) REVERT: Q 98 GLN cc_start: 0.8753 (mm-40) cc_final: 0.8497 (mm-40) REVERT: Q 110 ARG cc_start: 0.9468 (OUTLIER) cc_final: 0.8501 (ttm-80) REVERT: Q 249 ASN cc_start: 0.9121 (OUTLIER) cc_final: 0.8917 (p0) REVERT: Q 371 ARG cc_start: 0.7413 (OUTLIER) cc_final: 0.6121 (mmm160) REVERT: Q 480 HIS cc_start: 0.8480 (OUTLIER) cc_final: 0.8021 (p-80) REVERT: Q 487 PHE cc_start: 0.8087 (OUTLIER) cc_final: 0.7673 (t80) REVERT: Q 494 PHE cc_start: 0.6363 (OUTLIER) cc_final: 0.5632 (m-10) REVERT: Q 580 GLN cc_start: 0.8095 (OUTLIER) cc_final: 0.7634 (mm-40) outliers start: 2558 outliers final: 2078 residues processed: 3053 average time/residue: 0.9008 time to fit residues: 4800.9244 Evaluate side-chains 2972 residues out of total 8256 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2282 poor density : 690 time to evaluate : 7.451 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 12 TYR Chi-restraints excluded: chain A residue 13 LYS Chi-restraints excluded: chain A residue 19 PHE Chi-restraints excluded: chain A residue 25 ASP Chi-restraints excluded: chain A residue 33 GLN Chi-restraints excluded: chain A residue 34 ASP Chi-restraints excluded: chain A residue 35 MET Chi-restraints excluded: chain A residue 38 SER Chi-restraints excluded: chain A residue 40 LEU Chi-restraints excluded: chain A residue 41 SER Chi-restraints excluded: chain A residue 44 GLU Chi-restraints excluded: chain A residue 46 ASP Chi-restraints excluded: chain A residue 51 SER Chi-restraints excluded: chain A residue 58 THR Chi-restraints excluded: chain A residue 71 GLU Chi-restraints excluded: chain A residue 77 VAL Chi-restraints excluded: chain A residue 80 VAL Chi-restraints excluded: chain A residue 82 ARG Chi-restraints excluded: chain A residue 89 MET Chi-restraints excluded: chain A residue 92 ILE Chi-restraints excluded: chain A residue 93 LYS Chi-restraints excluded: chain A residue 100 SER Chi-restraints excluded: chain A residue 101 MET Chi-restraints excluded: chain A residue 104 ARG Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 110 ARG Chi-restraints excluded: chain A residue 116 ASP Chi-restraints excluded: chain A residue 124 ASN Chi-restraints excluded: chain A residue 126 SER Chi-restraints excluded: chain A residue 131 TYR Chi-restraints excluded: chain A residue 135 ARG Chi-restraints excluded: chain A residue 141 LEU Chi-restraints excluded: chain A residue 157 LYS Chi-restraints excluded: chain A residue 158 THR Chi-restraints excluded: chain A residue 162 LEU Chi-restraints excluded: chain A residue 164 VAL Chi-restraints excluded: chain A residue 166 LEU Chi-restraints excluded: chain A residue 167 SER Chi-restraints excluded: chain A residue 173 LYS Chi-restraints excluded: chain A residue 177 LYS Chi-restraints excluded: chain A residue 179 PHE Chi-restraints excluded: chain A residue 188 SER Chi-restraints excluded: chain A residue 193 LEU Chi-restraints excluded: chain A residue 199 LEU Chi-restraints excluded: chain A residue 203 ILE Chi-restraints excluded: chain A residue 204 ASP Chi-restraints excluded: chain A residue 208 THR Chi-restraints excluded: chain A residue 210 ARG Chi-restraints excluded: chain A residue 211 SER Chi-restraints excluded: chain A residue 217 ILE Chi-restraints excluded: chain A residue 218 LYS Chi-restraints excluded: chain A residue 219 LEU Chi-restraints excluded: chain A residue 221 ILE Chi-restraints excluded: chain A residue 230 ARG Chi-restraints excluded: chain A residue 239 ASN Chi-restraints excluded: chain A residue 242 LEU Chi-restraints excluded: chain A residue 247 VAL Chi-restraints excluded: chain A residue 249 ASN Chi-restraints excluded: chain A residue 254 ASN Chi-restraints excluded: chain A residue 256 PHE Chi-restraints excluded: chain A residue 258 LEU Chi-restraints excluded: chain A residue 266 THR Chi-restraints excluded: chain A residue 271 VAL Chi-restraints excluded: chain A residue 273 ASP Chi-restraints excluded: chain A residue 280 THR Chi-restraints excluded: chain A residue 281 THR Chi-restraints excluded: chain A residue 285 LEU Chi-restraints excluded: chain A residue 288 HIS Chi-restraints excluded: chain A residue 290 MET Chi-restraints excluded: chain A residue 292 LEU Chi-restraints excluded: chain A residue 293 THR Chi-restraints excluded: chain A residue 297 VAL Chi-restraints excluded: chain A residue 307 CYS Chi-restraints excluded: chain A residue 319 THR Chi-restraints excluded: chain A residue 321 PRO Chi-restraints excluded: chain A residue 322 ARG Chi-restraints excluded: chain A residue 323 ARG Chi-restraints excluded: chain A residue 327 ILE Chi-restraints excluded: chain A residue 331 ILE Chi-restraints excluded: chain A residue 333 ASP Chi-restraints excluded: chain A residue 338 TRP Chi-restraints excluded: chain A residue 339 ASP Chi-restraints excluded: chain A residue 342 LYS Chi-restraints excluded: chain A residue 349 LEU Chi-restraints excluded: chain A residue 351 THR Chi-restraints excluded: chain A residue 352 ILE Chi-restraints excluded: chain A residue 353 ILE Chi-restraints excluded: chain A residue 367 LYS Chi-restraints excluded: chain A residue 370 ASP Chi-restraints excluded: chain A residue 373 SER Chi-restraints excluded: chain A residue 378 SER Chi-restraints excluded: chain A residue 381 ILE Chi-restraints excluded: chain A residue 383 THR Chi-restraints excluded: chain A residue 384 ILE Chi-restraints excluded: chain A residue 385 LEU Chi-restraints excluded: chain A residue 387 SER Chi-restraints excluded: chain A residue 397 ASP Chi-restraints excluded: chain A residue 398 VAL Chi-restraints excluded: chain A residue 406 HIS Chi-restraints excluded: chain A residue 407 LYS Chi-restraints excluded: chain A residue 408 TYR Chi-restraints excluded: chain A residue 413 LYS Chi-restraints excluded: chain A residue 419 THR Chi-restraints excluded: chain A residue 421 SER Chi-restraints excluded: chain A residue 428 GLU Chi-restraints excluded: chain A residue 431 VAL Chi-restraints excluded: chain A residue 441 ARG Chi-restraints excluded: chain A residue 443 ILE Chi-restraints excluded: chain A residue 447 TYR Chi-restraints excluded: chain A residue 451 LYS Chi-restraints excluded: chain A residue 452 THR Chi-restraints excluded: chain A residue 456 ASP Chi-restraints excluded: chain A residue 457 ASP Chi-restraints excluded: chain A residue 463 LEU Chi-restraints excluded: chain A residue 471 ILE Chi-restraints excluded: chain A residue 478 ILE Chi-restraints excluded: chain A residue 479 GLU Chi-restraints excluded: chain A residue 480 HIS Chi-restraints excluded: chain A residue 485 THR Chi-restraints excluded: chain A residue 489 MET Chi-restraints excluded: chain A residue 490 VAL Chi-restraints excluded: chain A residue 494 PHE Chi-restraints excluded: chain A residue 496 PHE Chi-restraints excluded: chain A residue 497 LEU Chi-restraints excluded: chain A residue 499 GLN Chi-restraints excluded: chain A residue 501 ILE Chi-restraints excluded: chain A residue 526 PRO Chi-restraints excluded: chain A residue 528 ILE Chi-restraints excluded: chain A residue 533 PRO Chi-restraints excluded: chain A residue 535 TYR Chi-restraints excluded: chain A residue 536 GLU Chi-restraints excluded: chain A residue 539 VAL Chi-restraints excluded: chain A residue 544 ASP Chi-restraints excluded: chain A residue 549 ILE Chi-restraints excluded: chain A residue 559 THR Chi-restraints excluded: chain A residue 564 ILE Chi-restraints excluded: chain A residue 570 ASP Chi-restraints excluded: chain A residue 573 ILE Chi-restraints excluded: chain A residue 576 GLU Chi-restraints excluded: chain C residue 11 GLN Chi-restraints excluded: chain C residue 12 TYR Chi-restraints excluded: chain C residue 13 LYS Chi-restraints excluded: chain C residue 15 ILE Chi-restraints excluded: chain C residue 19 PHE Chi-restraints excluded: chain C residue 25 ASP Chi-restraints excluded: chain C residue 32 VAL Chi-restraints excluded: chain C residue 33 GLN Chi-restraints excluded: chain C residue 38 SER Chi-restraints excluded: chain C residue 39 ILE Chi-restraints excluded: chain C residue 41 SER Chi-restraints excluded: chain C residue 44 GLU Chi-restraints excluded: chain C residue 50 MET Chi-restraints excluded: chain C residue 51 SER Chi-restraints excluded: chain C residue 58 THR Chi-restraints excluded: chain C residue 65 LEU Chi-restraints excluded: chain C residue 66 LEU Chi-restraints excluded: chain C residue 72 MET Chi-restraints excluded: chain C residue 77 VAL Chi-restraints excluded: chain C residue 80 VAL Chi-restraints excluded: chain C residue 81 LEU Chi-restraints excluded: chain C residue 82 ARG Chi-restraints excluded: chain C residue 83 ILE Chi-restraints excluded: chain C residue 85 TYR Chi-restraints excluded: chain C residue 92 ILE Chi-restraints excluded: chain C residue 94 THR Chi-restraints excluded: chain C residue 97 ARG Chi-restraints excluded: chain C residue 100 SER Chi-restraints excluded: chain C residue 103 THR Chi-restraints excluded: chain C residue 107 ILE Chi-restraints excluded: chain C residue 110 ARG Chi-restraints excluded: chain C residue 117 ASN Chi-restraints excluded: chain C residue 122 LYS Chi-restraints excluded: chain C residue 127 ARG Chi-restraints excluded: chain C residue 131 TYR Chi-restraints excluded: chain C residue 135 ARG Chi-restraints excluded: chain C residue 139 LEU Chi-restraints excluded: chain C residue 140 GLU Chi-restraints excluded: chain C residue 141 LEU Chi-restraints excluded: chain C residue 150 ASP Chi-restraints excluded: chain C residue 153 LEU Chi-restraints excluded: chain C residue 157 LYS Chi-restraints excluded: chain C residue 158 THR Chi-restraints excluded: chain C residue 160 VAL Chi-restraints excluded: chain C residue 166 LEU Chi-restraints excluded: chain C residue 167 SER Chi-restraints excluded: chain C residue 181 LEU Chi-restraints excluded: chain C residue 188 SER Chi-restraints excluded: chain C residue 191 THR Chi-restraints excluded: chain C residue 193 LEU Chi-restraints excluded: chain C residue 204 ASP Chi-restraints excluded: chain C residue 208 THR Chi-restraints excluded: chain C residue 221 ILE Chi-restraints excluded: chain C residue 225 GLN Chi-restraints excluded: chain C residue 234 SER Chi-restraints excluded: chain C residue 246 ASN Chi-restraints excluded: chain C residue 249 ASN Chi-restraints excluded: chain C residue 251 LYS Chi-restraints excluded: chain C residue 258 LEU Chi-restraints excluded: chain C residue 262 ILE Chi-restraints excluded: chain C residue 264 LEU Chi-restraints excluded: chain C residue 266 THR Chi-restraints excluded: chain C residue 273 ASP Chi-restraints excluded: chain C residue 274 PHE Chi-restraints excluded: chain C residue 279 THR Chi-restraints excluded: chain C residue 280 THR Chi-restraints excluded: chain C residue 281 THR Chi-restraints excluded: chain C residue 284 SER Chi-restraints excluded: chain C residue 285 LEU Chi-restraints excluded: chain C residue 288 HIS Chi-restraints excluded: chain C residue 291 THR Chi-restraints excluded: chain C residue 292 LEU Chi-restraints excluded: chain C residue 293 THR Chi-restraints excluded: chain C residue 305 LEU Chi-restraints excluded: chain C residue 321 PRO Chi-restraints excluded: chain C residue 324 LEU Chi-restraints excluded: chain C residue 325 SER Chi-restraints excluded: chain C residue 326 ILE Chi-restraints excluded: chain C residue 327 ILE Chi-restraints excluded: chain C residue 329 GLU Chi-restraints excluded: chain C residue 331 ILE Chi-restraints excluded: chain C residue 333 ASP Chi-restraints excluded: chain C residue 338 TRP Chi-restraints excluded: chain C residue 339 ASP Chi-restraints excluded: chain C residue 342 LYS Chi-restraints excluded: chain C residue 343 HIS Chi-restraints excluded: chain C residue 351 THR Chi-restraints excluded: chain C residue 352 ILE Chi-restraints excluded: chain C residue 353 ILE Chi-restraints excluded: chain C residue 359 VAL Chi-restraints excluded: chain C residue 367 LYS Chi-restraints excluded: chain C residue 370 ASP Chi-restraints excluded: chain C residue 371 ARG Chi-restraints excluded: chain C residue 373 SER Chi-restraints excluded: chain C residue 381 ILE Chi-restraints excluded: chain C residue 383 THR Chi-restraints excluded: chain C residue 384 ILE Chi-restraints excluded: chain C residue 385 LEU Chi-restraints excluded: chain C residue 387 SER Chi-restraints excluded: chain C residue 389 ILE Chi-restraints excluded: chain C residue 398 VAL Chi-restraints excluded: chain C residue 400 VAL Chi-restraints excluded: chain C residue 406 HIS Chi-restraints excluded: chain C residue 407 LYS Chi-restraints excluded: chain C residue 408 TYR Chi-restraints excluded: chain C residue 411 VAL Chi-restraints excluded: chain C residue 413 LYS Chi-restraints excluded: chain C residue 425 ILE Chi-restraints excluded: chain C residue 431 VAL Chi-restraints excluded: chain C residue 443 ILE Chi-restraints excluded: chain C residue 447 TYR Chi-restraints excluded: chain C residue 452 THR Chi-restraints excluded: chain C residue 456 ASP Chi-restraints excluded: chain C residue 462 TYR Chi-restraints excluded: chain C residue 463 LEU Chi-restraints excluded: chain C residue 471 ILE Chi-restraints excluded: chain C residue 475 LEU Chi-restraints excluded: chain C residue 478 ILE Chi-restraints excluded: chain C residue 480 HIS Chi-restraints excluded: chain C residue 485 THR Chi-restraints excluded: chain C residue 487 PHE Chi-restraints excluded: chain C residue 489 MET Chi-restraints excluded: chain C residue 497 LEU Chi-restraints excluded: chain C residue 499 GLN Chi-restraints excluded: chain C residue 501 ILE Chi-restraints excluded: chain C residue 516 ASN Chi-restraints excluded: chain C residue 524 TYR Chi-restraints excluded: chain C residue 528 ILE Chi-restraints excluded: chain C residue 533 PRO Chi-restraints excluded: chain C residue 536 GLU Chi-restraints excluded: chain C residue 539 VAL Chi-restraints excluded: chain C residue 544 ASP Chi-restraints excluded: chain C residue 549 ILE Chi-restraints excluded: chain C residue 559 THR Chi-restraints excluded: chain C residue 576 GLU Chi-restraints excluded: chain C residue 580 GLN Chi-restraints excluded: chain D residue 12 TYR Chi-restraints excluded: chain D residue 13 LYS Chi-restraints excluded: chain D residue 19 PHE Chi-restraints excluded: chain D residue 25 ASP Chi-restraints excluded: chain D residue 33 GLN Chi-restraints excluded: chain D residue 34 ASP Chi-restraints excluded: chain D residue 35 MET Chi-restraints excluded: chain D residue 38 SER Chi-restraints excluded: chain D residue 40 LEU Chi-restraints excluded: chain D residue 41 SER Chi-restraints excluded: chain D residue 44 GLU Chi-restraints excluded: chain D residue 46 ASP Chi-restraints excluded: chain D residue 50 MET Chi-restraints excluded: chain D residue 51 SER Chi-restraints excluded: chain D residue 58 THR Chi-restraints excluded: chain D residue 60 ARG Chi-restraints excluded: chain D residue 77 VAL Chi-restraints excluded: chain D residue 80 VAL Chi-restraints excluded: chain D residue 82 ARG Chi-restraints excluded: chain D residue 89 MET Chi-restraints excluded: chain D residue 92 ILE Chi-restraints excluded: chain D residue 93 LYS Chi-restraints excluded: chain D residue 101 MET Chi-restraints excluded: chain D residue 104 ARG Chi-restraints excluded: chain D residue 107 ILE Chi-restraints excluded: chain D residue 110 ARG Chi-restraints excluded: chain D residue 116 ASP Chi-restraints excluded: chain D residue 124 ASN Chi-restraints excluded: chain D residue 127 ARG Chi-restraints excluded: chain D residue 131 TYR Chi-restraints excluded: chain D residue 135 ARG Chi-restraints excluded: chain D residue 141 LEU Chi-restraints excluded: chain D residue 153 LEU Chi-restraints excluded: chain D residue 157 LYS Chi-restraints excluded: chain D residue 158 THR Chi-restraints excluded: chain D residue 162 LEU Chi-restraints excluded: chain D residue 164 VAL Chi-restraints excluded: chain D residue 166 LEU Chi-restraints excluded: chain D residue 167 SER Chi-restraints excluded: chain D residue 173 LYS Chi-restraints excluded: chain D residue 177 LYS Chi-restraints excluded: chain D residue 188 SER Chi-restraints excluded: chain D residue 193 LEU Chi-restraints excluded: chain D residue 199 LEU Chi-restraints excluded: chain D residue 203 ILE Chi-restraints excluded: chain D residue 204 ASP Chi-restraints excluded: chain D residue 208 THR Chi-restraints excluded: chain D residue 210 ARG Chi-restraints excluded: chain D residue 211 SER Chi-restraints excluded: chain D residue 217 ILE Chi-restraints excluded: chain D residue 218 LYS Chi-restraints excluded: chain D residue 219 LEU Chi-restraints excluded: chain D residue 221 ILE Chi-restraints excluded: chain D residue 230 ARG Chi-restraints excluded: chain D residue 236 PRO Chi-restraints excluded: chain D residue 239 ASN Chi-restraints excluded: chain D residue 242 LEU Chi-restraints excluded: chain D residue 245 LEU Chi-restraints excluded: chain D residue 247 VAL Chi-restraints excluded: chain D residue 249 ASN Chi-restraints excluded: chain D residue 254 ASN Chi-restraints excluded: chain D residue 256 PHE Chi-restraints excluded: chain D residue 258 LEU Chi-restraints excluded: chain D residue 266 THR Chi-restraints excluded: chain D residue 267 ARG Chi-restraints excluded: chain D residue 271 VAL Chi-restraints excluded: chain D residue 273 ASP Chi-restraints excluded: chain D residue 280 THR Chi-restraints excluded: chain D residue 281 THR Chi-restraints excluded: chain D residue 284 SER Chi-restraints excluded: chain D residue 288 HIS Chi-restraints excluded: chain D residue 290 MET Chi-restraints excluded: chain D residue 292 LEU Chi-restraints excluded: chain D residue 293 THR Chi-restraints excluded: chain D residue 297 VAL Chi-restraints excluded: chain D residue 299 SER Chi-restraints excluded: chain D residue 307 CYS Chi-restraints excluded: chain D residue 319 THR Chi-restraints excluded: chain D residue 321 PRO Chi-restraints excluded: chain D residue 322 ARG Chi-restraints excluded: chain D residue 323 ARG Chi-restraints excluded: chain D residue 324 LEU Chi-restraints excluded: chain D residue 325 SER Chi-restraints excluded: chain D residue 327 ILE Chi-restraints excluded: chain D residue 331 ILE Chi-restraints excluded: chain D residue 333 ASP Chi-restraints excluded: chain D residue 338 TRP Chi-restraints excluded: chain D residue 339 ASP Chi-restraints excluded: chain D residue 342 LYS Chi-restraints excluded: chain D residue 349 LEU Chi-restraints excluded: chain D residue 351 THR Chi-restraints excluded: chain D residue 352 ILE Chi-restraints excluded: chain D residue 353 ILE Chi-restraints excluded: chain D residue 360 LEU Chi-restraints excluded: chain D residue 370 ASP Chi-restraints excluded: chain D residue 373 SER Chi-restraints excluded: chain D residue 378 SER Chi-restraints excluded: chain D residue 381 ILE Chi-restraints excluded: chain D residue 383 THR Chi-restraints excluded: chain D residue 384 ILE Chi-restraints excluded: chain D residue 385 LEU Chi-restraints excluded: chain D residue 387 SER Chi-restraints excluded: chain D residue 397 ASP Chi-restraints excluded: chain D residue 398 VAL Chi-restraints excluded: chain D residue 406 HIS Chi-restraints excluded: chain D residue 407 LYS Chi-restraints excluded: chain D residue 408 TYR Chi-restraints excluded: chain D residue 413 LYS Chi-restraints excluded: chain D residue 419 THR Chi-restraints excluded: chain D residue 421 SER Chi-restraints excluded: chain D residue 428 GLU Chi-restraints excluded: chain D residue 431 VAL Chi-restraints excluded: chain D residue 441 ARG Chi-restraints excluded: chain D residue 443 ILE Chi-restraints excluded: chain D residue 447 TYR Chi-restraints excluded: chain D residue 451 LYS Chi-restraints excluded: chain D residue 452 THR Chi-restraints excluded: chain D residue 456 ASP Chi-restraints excluded: chain D residue 457 ASP Chi-restraints excluded: chain D residue 463 LEU Chi-restraints excluded: chain D residue 471 ILE Chi-restraints excluded: chain D residue 478 ILE Chi-restraints excluded: chain D residue 479 GLU Chi-restraints excluded: chain D residue 480 HIS Chi-restraints excluded: chain D residue 485 THR Chi-restraints excluded: chain D residue 489 MET Chi-restraints excluded: chain D residue 490 VAL Chi-restraints excluded: chain D residue 494 PHE Chi-restraints excluded: chain D residue 496 PHE Chi-restraints excluded: chain D residue 497 LEU Chi-restraints excluded: chain D residue 499 GLN Chi-restraints excluded: chain D residue 501 ILE Chi-restraints excluded: chain D residue 526 PRO Chi-restraints excluded: chain D residue 528 ILE Chi-restraints excluded: chain D residue 533 PRO Chi-restraints excluded: chain D residue 535 TYR Chi-restraints excluded: chain D residue 536 GLU Chi-restraints excluded: chain D residue 539 VAL Chi-restraints excluded: chain D residue 544 ASP Chi-restraints excluded: chain D residue 549 ILE Chi-restraints excluded: chain D residue 559 THR Chi-restraints excluded: chain D residue 564 ILE Chi-restraints excluded: chain D residue 570 ASP Chi-restraints excluded: chain D residue 573 ILE Chi-restraints excluded: chain D residue 576 GLU Chi-restraints excluded: chain E residue 11 GLN Chi-restraints excluded: chain E residue 12 TYR Chi-restraints excluded: chain E residue 13 LYS Chi-restraints excluded: chain E residue 14 ASP Chi-restraints excluded: chain E residue 15 ILE Chi-restraints excluded: chain E residue 19 PHE Chi-restraints excluded: chain E residue 25 ASP Chi-restraints excluded: chain E residue 32 VAL Chi-restraints excluded: chain E residue 33 GLN Chi-restraints excluded: chain E residue 34 ASP Chi-restraints excluded: chain E residue 35 MET Chi-restraints excluded: chain E residue 38 SER Chi-restraints excluded: chain E residue 39 ILE Chi-restraints excluded: chain E residue 41 SER Chi-restraints excluded: chain E residue 44 GLU Chi-restraints excluded: chain E residue 50 MET Chi-restraints excluded: chain E residue 51 SER Chi-restraints excluded: chain E residue 58 THR Chi-restraints excluded: chain E residue 65 LEU Chi-restraints excluded: chain E residue 66 LEU Chi-restraints excluded: chain E residue 72 MET Chi-restraints excluded: chain E residue 77 VAL Chi-restraints excluded: chain E residue 80 VAL Chi-restraints excluded: chain E residue 81 LEU Chi-restraints excluded: chain E residue 82 ARG Chi-restraints excluded: chain E residue 83 ILE Chi-restraints excluded: chain E residue 85 TYR Chi-restraints excluded: chain E residue 92 ILE Chi-restraints excluded: chain E residue 94 THR Chi-restraints excluded: chain E residue 97 ARG Chi-restraints excluded: chain E residue 100 SER Chi-restraints excluded: chain E residue 103 THR Chi-restraints excluded: chain E residue 107 ILE Chi-restraints excluded: chain E residue 110 ARG Chi-restraints excluded: chain E residue 117 ASN Chi-restraints excluded: chain E residue 122 LYS Chi-restraints excluded: chain E residue 127 ARG Chi-restraints excluded: chain E residue 131 TYR Chi-restraints excluded: chain E residue 135 ARG Chi-restraints excluded: chain E residue 139 LEU Chi-restraints excluded: chain E residue 140 GLU Chi-restraints excluded: chain E residue 141 LEU Chi-restraints excluded: chain E residue 150 ASP Chi-restraints excluded: chain E residue 153 LEU Chi-restraints excluded: chain E residue 157 LYS Chi-restraints excluded: chain E residue 158 THR Chi-restraints excluded: chain E residue 160 VAL Chi-restraints excluded: chain E residue 166 LEU Chi-restraints excluded: chain E residue 167 SER Chi-restraints excluded: chain E residue 169 LYS Chi-restraints excluded: chain E residue 181 LEU Chi-restraints excluded: chain E residue 188 SER Chi-restraints excluded: chain E residue 191 THR Chi-restraints excluded: chain E residue 193 LEU Chi-restraints excluded: chain E residue 199 LEU Chi-restraints excluded: chain E residue 204 ASP Chi-restraints excluded: chain E residue 208 THR Chi-restraints excluded: chain E residue 217 ILE Chi-restraints excluded: chain E residue 221 ILE Chi-restraints excluded: chain E residue 225 GLN Chi-restraints excluded: chain E residue 234 SER Chi-restraints excluded: chain E residue 239 ASN Chi-restraints excluded: chain E residue 246 ASN Chi-restraints excluded: chain E residue 249 ASN Chi-restraints excluded: chain E residue 258 LEU Chi-restraints excluded: chain E residue 262 ILE Chi-restraints excluded: chain E residue 266 THR Chi-restraints excluded: chain E residue 273 ASP Chi-restraints excluded: chain E residue 279 THR Chi-restraints excluded: chain E residue 280 THR Chi-restraints excluded: chain E residue 281 THR Chi-restraints excluded: chain E residue 284 SER Chi-restraints excluded: chain E residue 285 LEU Chi-restraints excluded: chain E residue 288 HIS Chi-restraints excluded: chain E residue 291 THR Chi-restraints excluded: chain E residue 292 LEU Chi-restraints excluded: chain E residue 293 THR Chi-restraints excluded: chain E residue 305 LEU Chi-restraints excluded: chain E residue 321 PRO Chi-restraints excluded: chain E residue 323 ARG Chi-restraints excluded: chain E residue 324 LEU Chi-restraints excluded: chain E residue 325 SER Chi-restraints excluded: chain E residue 326 ILE Chi-restraints excluded: chain E residue 327 ILE Chi-restraints excluded: chain E residue 329 GLU Chi-restraints excluded: chain E residue 331 ILE Chi-restraints excluded: chain E residue 333 ASP Chi-restraints excluded: chain E residue 338 TRP Chi-restraints excluded: chain E residue 339 ASP Chi-restraints excluded: chain E residue 351 THR Chi-restraints excluded: chain E residue 352 ILE Chi-restraints excluded: chain E residue 353 ILE Chi-restraints excluded: chain E residue 355 SER Chi-restraints excluded: chain E residue 359 VAL Chi-restraints excluded: chain E residue 371 ARG Chi-restraints excluded: chain E residue 373 SER Chi-restraints excluded: chain E residue 381 ILE Chi-restraints excluded: chain E residue 383 THR Chi-restraints excluded: chain E residue 384 ILE Chi-restraints excluded: chain E residue 385 LEU Chi-restraints excluded: chain E residue 387 SER Chi-restraints excluded: chain E residue 389 ILE Chi-restraints excluded: chain E residue 398 VAL Chi-restraints excluded: chain E residue 400 VAL Chi-restraints excluded: chain E residue 406 HIS Chi-restraints excluded: chain E residue 407 LYS Chi-restraints excluded: chain E residue 408 TYR Chi-restraints excluded: chain E residue 411 VAL Chi-restraints excluded: chain E residue 413 LYS Chi-restraints excluded: chain E residue 425 ILE Chi-restraints excluded: chain E residue 431 VAL Chi-restraints excluded: chain E residue 443 ILE Chi-restraints excluded: chain E residue 447 TYR Chi-restraints excluded: chain E residue 456 ASP Chi-restraints excluded: chain E residue 457 ASP Chi-restraints excluded: chain E residue 462 TYR Chi-restraints excluded: chain E residue 463 LEU Chi-restraints excluded: chain E residue 471 ILE Chi-restraints excluded: chain E residue 478 ILE Chi-restraints excluded: chain E residue 480 HIS Chi-restraints excluded: chain E residue 485 THR Chi-restraints excluded: chain E residue 487 PHE Chi-restraints excluded: chain E residue 489 MET Chi-restraints excluded: chain E residue 492 LEU Chi-restraints excluded: chain E residue 494 PHE Chi-restraints excluded: chain E residue 497 LEU Chi-restraints excluded: chain E residue 499 GLN Chi-restraints excluded: chain E residue 501 ILE Chi-restraints excluded: chain E residue 516 ASN Chi-restraints excluded: chain E residue 524 TYR Chi-restraints excluded: chain E residue 528 ILE Chi-restraints excluded: chain E residue 536 GLU Chi-restraints excluded: chain E residue 539 VAL Chi-restraints excluded: chain E residue 544 ASP Chi-restraints excluded: chain E residue 549 ILE Chi-restraints excluded: chain E residue 559 THR Chi-restraints excluded: chain E residue 564 ILE Chi-restraints excluded: chain E residue 576 GLU Chi-restraints excluded: chain E residue 580 GLN Chi-restraints excluded: chain F residue 12 TYR Chi-restraints excluded: chain F residue 13 LYS Chi-restraints excluded: chain F residue 19 PHE Chi-restraints excluded: chain F residue 25 ASP Chi-restraints excluded: chain F residue 33 GLN Chi-restraints excluded: chain F residue 34 ASP Chi-restraints excluded: chain F residue 35 MET Chi-restraints excluded: chain F residue 38 SER Chi-restraints excluded: chain F residue 40 LEU Chi-restraints excluded: chain F residue 41 SER Chi-restraints excluded: chain F residue 44 GLU Chi-restraints excluded: chain F residue 46 ASP Chi-restraints excluded: chain F residue 51 SER Chi-restraints excluded: chain F residue 58 THR Chi-restraints excluded: chain F residue 74 GLN Chi-restraints excluded: chain F residue 77 VAL Chi-restraints excluded: chain F residue 80 VAL Chi-restraints excluded: chain F residue 81 LEU Chi-restraints excluded: chain F residue 82 ARG Chi-restraints excluded: chain F residue 87 PHE Chi-restraints excluded: chain F residue 93 LYS Chi-restraints excluded: chain F residue 100 SER Chi-restraints excluded: chain F residue 101 MET Chi-restraints excluded: chain F residue 104 ARG Chi-restraints excluded: chain F residue 107 ILE Chi-restraints excluded: chain F residue 110 ARG Chi-restraints excluded: chain F residue 116 ASP Chi-restraints excluded: chain F residue 124 ASN Chi-restraints excluded: chain F residue 127 ARG Chi-restraints excluded: chain F residue 131 TYR Chi-restraints excluded: chain F residue 135 ARG Chi-restraints excluded: chain F residue 141 LEU Chi-restraints excluded: chain F residue 153 LEU Chi-restraints excluded: chain F residue 157 LYS Chi-restraints excluded: chain F residue 158 THR Chi-restraints excluded: chain F residue 162 LEU Chi-restraints excluded: chain F residue 164 VAL Chi-restraints excluded: chain F residue 166 LEU Chi-restraints excluded: chain F residue 167 SER Chi-restraints excluded: chain F residue 173 LYS Chi-restraints excluded: chain F residue 177 LYS Chi-restraints excluded: chain F residue 179 PHE Chi-restraints excluded: chain F residue 191 THR Chi-restraints excluded: chain F residue 193 LEU Chi-restraints excluded: chain F residue 199 LEU Chi-restraints excluded: chain F residue 203 ILE Chi-restraints excluded: chain F residue 204 ASP Chi-restraints excluded: chain F residue 208 THR Chi-restraints excluded: chain F residue 210 ARG Chi-restraints excluded: chain F residue 211 SER Chi-restraints excluded: chain F residue 217 ILE Chi-restraints excluded: chain F residue 218 LYS Chi-restraints excluded: chain F residue 219 LEU Chi-restraints excluded: chain F residue 221 ILE Chi-restraints excluded: chain F residue 228 LEU Chi-restraints excluded: chain F residue 230 ARG Chi-restraints excluded: chain F residue 236 PRO Chi-restraints excluded: chain F residue 239 ASN Chi-restraints excluded: chain F residue 242 LEU Chi-restraints excluded: chain F residue 245 LEU Chi-restraints excluded: chain F residue 247 VAL Chi-restraints excluded: chain F residue 249 ASN Chi-restraints excluded: chain F residue 254 ASN Chi-restraints excluded: chain F residue 256 PHE Chi-restraints excluded: chain F residue 258 LEU Chi-restraints excluded: chain F residue 266 THR Chi-restraints excluded: chain F residue 267 ARG Chi-restraints excluded: chain F residue 271 VAL Chi-restraints excluded: chain F residue 273 ASP Chi-restraints excluded: chain F residue 280 THR Chi-restraints excluded: chain F residue 281 THR Chi-restraints excluded: chain F residue 284 SER Chi-restraints excluded: chain F residue 288 HIS Chi-restraints excluded: chain F residue 290 MET Chi-restraints excluded: chain F residue 292 LEU Chi-restraints excluded: chain F residue 293 THR Chi-restraints excluded: chain F residue 297 VAL Chi-restraints excluded: chain F residue 299 SER Chi-restraints excluded: chain F residue 307 CYS Chi-restraints excluded: chain F residue 319 THR Chi-restraints excluded: chain F residue 321 PRO Chi-restraints excluded: chain F residue 322 ARG Chi-restraints excluded: chain F residue 323 ARG Chi-restraints excluded: chain F residue 324 LEU Chi-restraints excluded: chain F residue 325 SER Chi-restraints excluded: chain F residue 327 ILE Chi-restraints excluded: chain F residue 331 ILE Chi-restraints excluded: chain F residue 333 ASP Chi-restraints excluded: chain F residue 338 TRP Chi-restraints excluded: chain F residue 339 ASP Chi-restraints excluded: chain F residue 342 LYS Chi-restraints excluded: chain F residue 349 LEU Chi-restraints excluded: chain F residue 351 THR Chi-restraints excluded: chain F residue 352 ILE Chi-restraints excluded: chain F residue 353 ILE Chi-restraints excluded: chain F residue 360 LEU Chi-restraints excluded: chain F residue 370 ASP Chi-restraints excluded: chain F residue 373 SER Chi-restraints excluded: chain F residue 378 SER Chi-restraints excluded: chain F residue 381 ILE Chi-restraints excluded: chain F residue 383 THR Chi-restraints excluded: chain F residue 384 ILE Chi-restraints excluded: chain F residue 385 LEU Chi-restraints excluded: chain F residue 387 SER Chi-restraints excluded: chain F residue 397 ASP Chi-restraints excluded: chain F residue 398 VAL Chi-restraints excluded: chain F residue 406 HIS Chi-restraints excluded: chain F residue 407 LYS Chi-restraints excluded: chain F residue 408 TYR Chi-restraints excluded: chain F residue 413 LYS Chi-restraints excluded: chain F residue 419 THR Chi-restraints excluded: chain F residue 421 SER Chi-restraints excluded: chain F residue 428 GLU Chi-restraints excluded: chain F residue 431 VAL Chi-restraints excluded: chain F residue 441 ARG Chi-restraints excluded: chain F residue 443 ILE Chi-restraints excluded: chain F residue 447 TYR Chi-restraints excluded: chain F residue 452 THR Chi-restraints excluded: chain F residue 456 ASP Chi-restraints excluded: chain F residue 457 ASP Chi-restraints excluded: chain F residue 463 LEU Chi-restraints excluded: chain F residue 471 ILE Chi-restraints excluded: chain F residue 478 ILE Chi-restraints excluded: chain F residue 479 GLU Chi-restraints excluded: chain F residue 480 HIS Chi-restraints excluded: chain F residue 485 THR Chi-restraints excluded: chain F residue 489 MET Chi-restraints excluded: chain F residue 490 VAL Chi-restraints excluded: chain F residue 494 PHE Chi-restraints excluded: chain F residue 496 PHE Chi-restraints excluded: chain F residue 497 LEU Chi-restraints excluded: chain F residue 499 GLN Chi-restraints excluded: chain F residue 501 ILE Chi-restraints excluded: chain F residue 526 PRO Chi-restraints excluded: chain F residue 528 ILE Chi-restraints excluded: chain F residue 533 PRO Chi-restraints excluded: chain F residue 535 TYR Chi-restraints excluded: chain F residue 536 GLU Chi-restraints excluded: chain F residue 539 VAL Chi-restraints excluded: chain F residue 544 ASP Chi-restraints excluded: chain F residue 549 ILE Chi-restraints excluded: chain F residue 559 THR Chi-restraints excluded: chain F residue 564 ILE Chi-restraints excluded: chain F residue 570 ASP Chi-restraints excluded: chain F residue 573 ILE Chi-restraints excluded: chain F residue 576 GLU Chi-restraints excluded: chain G residue 11 GLN Chi-restraints excluded: chain G residue 12 TYR Chi-restraints excluded: chain G residue 13 LYS Chi-restraints excluded: chain G residue 14 ASP Chi-restraints excluded: chain G residue 15 ILE Chi-restraints excluded: chain G residue 19 PHE Chi-restraints excluded: chain G residue 25 ASP Chi-restraints excluded: chain G residue 32 VAL Chi-restraints excluded: chain G residue 33 GLN Chi-restraints excluded: chain G residue 34 ASP Chi-restraints excluded: chain G residue 35 MET Chi-restraints excluded: chain G residue 38 SER Chi-restraints excluded: chain G residue 39 ILE Chi-restraints excluded: chain G residue 41 SER Chi-restraints excluded: chain G residue 44 GLU Chi-restraints excluded: chain G residue 50 MET Chi-restraints excluded: chain G residue 51 SER Chi-restraints excluded: chain G residue 58 THR Chi-restraints excluded: chain G residue 65 LEU Chi-restraints excluded: chain G residue 66 LEU Chi-restraints excluded: chain G residue 77 VAL Chi-restraints excluded: chain G residue 79 GLU Chi-restraints excluded: chain G residue 80 VAL Chi-restraints excluded: chain G residue 81 LEU Chi-restraints excluded: chain G residue 82 ARG Chi-restraints excluded: chain G residue 83 ILE Chi-restraints excluded: chain G residue 85 TYR Chi-restraints excluded: chain G residue 88 LEU Chi-restraints excluded: chain G residue 92 ILE Chi-restraints excluded: chain G residue 94 THR Chi-restraints excluded: chain G residue 97 ARG Chi-restraints excluded: chain G residue 100 SER Chi-restraints excluded: chain G residue 103 THR Chi-restraints excluded: chain G residue 104 ARG Chi-restraints excluded: chain G residue 107 ILE Chi-restraints excluded: chain G residue 110 ARG Chi-restraints excluded: chain G residue 122 LYS Chi-restraints excluded: chain G residue 127 ARG Chi-restraints excluded: chain G residue 131 TYR Chi-restraints excluded: chain G residue 135 ARG Chi-restraints excluded: chain G residue 139 LEU Chi-restraints excluded: chain G residue 140 GLU Chi-restraints excluded: chain G residue 141 LEU Chi-restraints excluded: chain G residue 150 ASP Chi-restraints excluded: chain G residue 153 LEU Chi-restraints excluded: chain G residue 157 LYS Chi-restraints excluded: chain G residue 158 THR Chi-restraints excluded: chain G residue 160 VAL Chi-restraints excluded: chain G residue 166 LEU Chi-restraints excluded: chain G residue 167 SER Chi-restraints excluded: chain G residue 188 SER Chi-restraints excluded: chain G residue 191 THR Chi-restraints excluded: chain G residue 193 LEU Chi-restraints excluded: chain G residue 204 ASP Chi-restraints excluded: chain G residue 208 THR Chi-restraints excluded: chain G residue 217 ILE Chi-restraints excluded: chain G residue 221 ILE Chi-restraints excluded: chain G residue 225 GLN Chi-restraints excluded: chain G residue 234 SER Chi-restraints excluded: chain G residue 239 ASN Chi-restraints excluded: chain G residue 246 ASN Chi-restraints excluded: chain G residue 249 ASN Chi-restraints excluded: chain G residue 251 LYS Chi-restraints excluded: chain G residue 258 LEU Chi-restraints excluded: chain G residue 262 ILE Chi-restraints excluded: chain G residue 266 THR Chi-restraints excluded: chain G residue 273 ASP Chi-restraints excluded: chain G residue 274 PHE Chi-restraints excluded: chain G residue 279 THR Chi-restraints excluded: chain G residue 280 THR Chi-restraints excluded: chain G residue 281 THR Chi-restraints excluded: chain G residue 284 SER Chi-restraints excluded: chain G residue 285 LEU Chi-restraints excluded: chain G residue 288 HIS Chi-restraints excluded: chain G residue 291 THR Chi-restraints excluded: chain G residue 292 LEU Chi-restraints excluded: chain G residue 293 THR Chi-restraints excluded: chain G residue 305 LEU Chi-restraints excluded: chain G residue 321 PRO Chi-restraints excluded: chain G residue 323 ARG Chi-restraints excluded: chain G residue 324 LEU Chi-restraints excluded: chain G residue 325 SER Chi-restraints excluded: chain G residue 327 ILE Chi-restraints excluded: chain G residue 329 GLU Chi-restraints excluded: chain G residue 331 ILE Chi-restraints excluded: chain G residue 333 ASP Chi-restraints excluded: chain G residue 338 TRP Chi-restraints excluded: chain G residue 339 ASP Chi-restraints excluded: chain G residue 342 LYS Chi-restraints excluded: chain G residue 343 HIS Chi-restraints excluded: chain G residue 351 THR Chi-restraints excluded: chain G residue 352 ILE Chi-restraints excluded: chain G residue 353 ILE Chi-restraints excluded: chain G residue 359 VAL Chi-restraints excluded: chain G residue 371 ARG Chi-restraints excluded: chain G residue 373 SER Chi-restraints excluded: chain G residue 381 ILE Chi-restraints excluded: chain G residue 383 THR Chi-restraints excluded: chain G residue 384 ILE Chi-restraints excluded: chain G residue 385 LEU Chi-restraints excluded: chain G residue 387 SER Chi-restraints excluded: chain G residue 389 ILE Chi-restraints excluded: chain G residue 398 VAL Chi-restraints excluded: chain G residue 400 VAL Chi-restraints excluded: chain G residue 406 HIS Chi-restraints excluded: chain G residue 407 LYS Chi-restraints excluded: chain G residue 408 TYR Chi-restraints excluded: chain G residue 411 VAL Chi-restraints excluded: chain G residue 413 LYS Chi-restraints excluded: chain G residue 425 ILE Chi-restraints excluded: chain G residue 431 VAL Chi-restraints excluded: chain G residue 443 ILE Chi-restraints excluded: chain G residue 447 TYR Chi-restraints excluded: chain G residue 452 THR Chi-restraints excluded: chain G residue 456 ASP Chi-restraints excluded: chain G residue 462 TYR Chi-restraints excluded: chain G residue 463 LEU Chi-restraints excluded: chain G residue 471 ILE Chi-restraints excluded: chain G residue 475 LEU Chi-restraints excluded: chain G residue 478 ILE Chi-restraints excluded: chain G residue 480 HIS Chi-restraints excluded: chain G residue 485 THR Chi-restraints excluded: chain G residue 487 PHE Chi-restraints excluded: chain G residue 489 MET Chi-restraints excluded: chain G residue 492 LEU Chi-restraints excluded: chain G residue 494 PHE Chi-restraints excluded: chain G residue 497 LEU Chi-restraints excluded: chain G residue 499 GLN Chi-restraints excluded: chain G residue 501 ILE Chi-restraints excluded: chain G residue 516 ASN Chi-restraints excluded: chain G residue 524 TYR Chi-restraints excluded: chain G residue 528 ILE Chi-restraints excluded: chain G residue 535 TYR Chi-restraints excluded: chain G residue 536 GLU Chi-restraints excluded: chain G residue 539 VAL Chi-restraints excluded: chain G residue 544 ASP Chi-restraints excluded: chain G residue 549 ILE Chi-restraints excluded: chain G residue 559 THR Chi-restraints excluded: chain G residue 564 ILE Chi-restraints excluded: chain G residue 576 GLU Chi-restraints excluded: chain G residue 580 GLN Chi-restraints excluded: chain H residue 12 TYR Chi-restraints excluded: chain H residue 13 LYS Chi-restraints excluded: chain H residue 25 ASP Chi-restraints excluded: chain H residue 33 GLN Chi-restraints excluded: chain H residue 34 ASP Chi-restraints excluded: chain H residue 35 MET Chi-restraints excluded: chain H residue 38 SER Chi-restraints excluded: chain H residue 40 LEU Chi-restraints excluded: chain H residue 41 SER Chi-restraints excluded: chain H residue 44 GLU Chi-restraints excluded: chain H residue 46 ASP Chi-restraints excluded: chain H residue 51 SER Chi-restraints excluded: chain H residue 58 THR Chi-restraints excluded: chain H residue 60 ARG Chi-restraints excluded: chain H residue 77 VAL Chi-restraints excluded: chain H residue 80 VAL Chi-restraints excluded: chain H residue 81 LEU Chi-restraints excluded: chain H residue 82 ARG Chi-restraints excluded: chain H residue 89 MET Chi-restraints excluded: chain H residue 92 ILE Chi-restraints excluded: chain H residue 93 LYS Chi-restraints excluded: chain H residue 100 SER Chi-restraints excluded: chain H residue 101 MET Chi-restraints excluded: chain H residue 104 ARG Chi-restraints excluded: chain H residue 107 ILE Chi-restraints excluded: chain H residue 110 ARG Chi-restraints excluded: chain H residue 116 ASP Chi-restraints excluded: chain H residue 124 ASN Chi-restraints excluded: chain H residue 127 ARG Chi-restraints excluded: chain H residue 131 TYR Chi-restraints excluded: chain H residue 133 LYS Chi-restraints excluded: chain H residue 135 ARG Chi-restraints excluded: chain H residue 141 LEU Chi-restraints excluded: chain H residue 153 LEU Chi-restraints excluded: chain H residue 157 LYS Chi-restraints excluded: chain H residue 158 THR Chi-restraints excluded: chain H residue 162 LEU Chi-restraints excluded: chain H residue 164 VAL Chi-restraints excluded: chain H residue 166 LEU Chi-restraints excluded: chain H residue 167 SER Chi-restraints excluded: chain H residue 173 LYS Chi-restraints excluded: chain H residue 177 LYS Chi-restraints excluded: chain H residue 179 PHE Chi-restraints excluded: chain H residue 188 SER Chi-restraints excluded: chain H residue 193 LEU Chi-restraints excluded: chain H residue 199 LEU Chi-restraints excluded: chain H residue 203 ILE Chi-restraints excluded: chain H residue 204 ASP Chi-restraints excluded: chain H residue 208 THR Chi-restraints excluded: chain H residue 210 ARG Chi-restraints excluded: chain H residue 211 SER Chi-restraints excluded: chain H residue 217 ILE Chi-restraints excluded: chain H residue 218 LYS Chi-restraints excluded: chain H residue 219 LEU Chi-restraints excluded: chain H residue 221 ILE Chi-restraints excluded: chain H residue 230 ARG Chi-restraints excluded: chain H residue 234 SER Chi-restraints excluded: chain H residue 236 PRO Chi-restraints excluded: chain H residue 239 ASN Chi-restraints excluded: chain H residue 242 LEU Chi-restraints excluded: chain H residue 245 LEU Chi-restraints excluded: chain H residue 247 VAL Chi-restraints excluded: chain H residue 249 ASN Chi-restraints excluded: chain H residue 254 ASN Chi-restraints excluded: chain H residue 256 PHE Chi-restraints excluded: chain H residue 258 LEU Chi-restraints excluded: chain H residue 266 THR Chi-restraints excluded: chain H residue 267 ARG Chi-restraints excluded: chain H residue 271 VAL Chi-restraints excluded: chain H residue 273 ASP Chi-restraints excluded: chain H residue 279 THR Chi-restraints excluded: chain H residue 280 THR Chi-restraints excluded: chain H residue 281 THR Chi-restraints excluded: chain H residue 284 SER Chi-restraints excluded: chain H residue 288 HIS Chi-restraints excluded: chain H residue 290 MET Chi-restraints excluded: chain H residue 292 LEU Chi-restraints excluded: chain H residue 293 THR Chi-restraints excluded: chain H residue 297 VAL Chi-restraints excluded: chain H residue 299 SER Chi-restraints excluded: chain H residue 307 CYS Chi-restraints excluded: chain H residue 319 THR Chi-restraints excluded: chain H residue 321 PRO Chi-restraints excluded: chain H residue 322 ARG Chi-restraints excluded: chain H residue 323 ARG Chi-restraints excluded: chain H residue 324 LEU Chi-restraints excluded: chain H residue 325 SER Chi-restraints excluded: chain H residue 327 ILE Chi-restraints excluded: chain H residue 331 ILE Chi-restraints excluded: chain H residue 333 ASP Chi-restraints excluded: chain H residue 338 TRP Chi-restraints excluded: chain H residue 339 ASP Chi-restraints excluded: chain H residue 342 LYS Chi-restraints excluded: chain H residue 349 LEU Chi-restraints excluded: chain H residue 351 THR Chi-restraints excluded: chain H residue 352 ILE Chi-restraints excluded: chain H residue 353 ILE Chi-restraints excluded: chain H residue 360 LEU Chi-restraints excluded: chain H residue 370 ASP Chi-restraints excluded: chain H residue 373 SER Chi-restraints excluded: chain H residue 378 SER Chi-restraints excluded: chain H residue 381 ILE Chi-restraints excluded: chain H residue 383 THR Chi-restraints excluded: chain H residue 384 ILE Chi-restraints excluded: chain H residue 385 LEU Chi-restraints excluded: chain H residue 387 SER Chi-restraints excluded: chain H residue 397 ASP Chi-restraints excluded: chain H residue 398 VAL Chi-restraints excluded: chain H residue 406 HIS Chi-restraints excluded: chain H residue 407 LYS Chi-restraints excluded: chain H residue 408 TYR Chi-restraints excluded: chain H residue 413 LYS Chi-restraints excluded: chain H residue 419 THR Chi-restraints excluded: chain H residue 421 SER Chi-restraints excluded: chain H residue 428 GLU Chi-restraints excluded: chain H residue 431 VAL Chi-restraints excluded: chain H residue 443 ILE Chi-restraints excluded: chain H residue 447 TYR Chi-restraints excluded: chain H residue 451 LYS Chi-restraints excluded: chain H residue 452 THR Chi-restraints excluded: chain H residue 456 ASP Chi-restraints excluded: chain H residue 457 ASP Chi-restraints excluded: chain H residue 463 LEU Chi-restraints excluded: chain H residue 471 ILE Chi-restraints excluded: chain H residue 478 ILE Chi-restraints excluded: chain H residue 479 GLU Chi-restraints excluded: chain H residue 480 HIS Chi-restraints excluded: chain H residue 485 THR Chi-restraints excluded: chain H residue 489 MET Chi-restraints excluded: chain H residue 490 VAL Chi-restraints excluded: chain H residue 494 PHE Chi-restraints excluded: chain H residue 496 PHE Chi-restraints excluded: chain H residue 497 LEU Chi-restraints excluded: chain H residue 499 GLN Chi-restraints excluded: chain H residue 501 ILE Chi-restraints excluded: chain H residue 526 PRO Chi-restraints excluded: chain H residue 528 ILE Chi-restraints excluded: chain H residue 533 PRO Chi-restraints excluded: chain H residue 535 TYR Chi-restraints excluded: chain H residue 536 GLU Chi-restraints excluded: chain H residue 539 VAL Chi-restraints excluded: chain H residue 544 ASP Chi-restraints excluded: chain H residue 549 ILE Chi-restraints excluded: chain H residue 559 THR Chi-restraints excluded: chain H residue 564 ILE Chi-restraints excluded: chain H residue 570 ASP Chi-restraints excluded: chain H residue 573 ILE Chi-restraints excluded: chain H residue 576 GLU Chi-restraints excluded: chain I residue 11 GLN Chi-restraints excluded: chain I residue 12 TYR Chi-restraints excluded: chain I residue 13 LYS Chi-restraints excluded: chain I residue 14 ASP Chi-restraints excluded: chain I residue 15 ILE Chi-restraints excluded: chain I residue 19 PHE Chi-restraints excluded: chain I residue 24 VAL Chi-restraints excluded: chain I residue 25 ASP Chi-restraints excluded: chain I residue 32 VAL Chi-restraints excluded: chain I residue 33 GLN Chi-restraints excluded: chain I residue 34 ASP Chi-restraints excluded: chain I residue 35 MET Chi-restraints excluded: chain I residue 38 SER Chi-restraints excluded: chain I residue 39 ILE Chi-restraints excluded: chain I residue 41 SER Chi-restraints excluded: chain I residue 44 GLU Chi-restraints excluded: chain I residue 50 MET Chi-restraints excluded: chain I residue 51 SER Chi-restraints excluded: chain I residue 58 THR Chi-restraints excluded: chain I residue 65 LEU Chi-restraints excluded: chain I residue 66 LEU Chi-restraints excluded: chain I residue 72 MET Chi-restraints excluded: chain I residue 77 VAL Chi-restraints excluded: chain I residue 79 GLU Chi-restraints excluded: chain I residue 80 VAL Chi-restraints excluded: chain I residue 81 LEU Chi-restraints excluded: chain I residue 82 ARG Chi-restraints excluded: chain I residue 83 ILE Chi-restraints excluded: chain I residue 85 TYR Chi-restraints excluded: chain I residue 88 LEU Chi-restraints excluded: chain I residue 92 ILE Chi-restraints excluded: chain I residue 94 THR Chi-restraints excluded: chain I residue 97 ARG Chi-restraints excluded: chain I residue 100 SER Chi-restraints excluded: chain I residue 107 ILE Chi-restraints excluded: chain I residue 110 ARG Chi-restraints excluded: chain I residue 122 LYS Chi-restraints excluded: chain I residue 127 ARG Chi-restraints excluded: chain I residue 131 TYR Chi-restraints excluded: chain I residue 135 ARG Chi-restraints excluded: chain I residue 139 LEU Chi-restraints excluded: chain I residue 140 GLU Chi-restraints excluded: chain I residue 141 LEU Chi-restraints excluded: chain I residue 150 ASP Chi-restraints excluded: chain I residue 153 LEU Chi-restraints excluded: chain I residue 157 LYS Chi-restraints excluded: chain I residue 158 THR Chi-restraints excluded: chain I residue 160 VAL Chi-restraints excluded: chain I residue 166 LEU Chi-restraints excluded: chain I residue 167 SER Chi-restraints excluded: chain I residue 181 LEU Chi-restraints excluded: chain I residue 188 SER Chi-restraints excluded: chain I residue 191 THR Chi-restraints excluded: chain I residue 193 LEU Chi-restraints excluded: chain I residue 204 ASP Chi-restraints excluded: chain I residue 208 THR Chi-restraints excluded: chain I residue 221 ILE Chi-restraints excluded: chain I residue 225 GLN Chi-restraints excluded: chain I residue 234 SER Chi-restraints excluded: chain I residue 239 ASN Chi-restraints excluded: chain I residue 246 ASN Chi-restraints excluded: chain I residue 249 ASN Chi-restraints excluded: chain I residue 258 LEU Chi-restraints excluded: chain I residue 262 ILE Chi-restraints excluded: chain I residue 266 THR Chi-restraints excluded: chain I residue 273 ASP Chi-restraints excluded: chain I residue 279 THR Chi-restraints excluded: chain I residue 280 THR Chi-restraints excluded: chain I residue 281 THR Chi-restraints excluded: chain I residue 284 SER Chi-restraints excluded: chain I residue 285 LEU Chi-restraints excluded: chain I residue 288 HIS Chi-restraints excluded: chain I residue 291 THR Chi-restraints excluded: chain I residue 292 LEU Chi-restraints excluded: chain I residue 293 THR Chi-restraints excluded: chain I residue 305 LEU Chi-restraints excluded: chain I residue 321 PRO Chi-restraints excluded: chain I residue 324 LEU Chi-restraints excluded: chain I residue 325 SER Chi-restraints excluded: chain I residue 326 ILE Chi-restraints excluded: chain I residue 327 ILE Chi-restraints excluded: chain I residue 329 GLU Chi-restraints excluded: chain I residue 331 ILE Chi-restraints excluded: chain I residue 333 ASP Chi-restraints excluded: chain I residue 338 TRP Chi-restraints excluded: chain I residue 339 ASP Chi-restraints excluded: chain I residue 342 LYS Chi-restraints excluded: chain I residue 343 HIS Chi-restraints excluded: chain I residue 349 LEU Chi-restraints excluded: chain I residue 351 THR Chi-restraints excluded: chain I residue 352 ILE Chi-restraints excluded: chain I residue 353 ILE Chi-restraints excluded: chain I residue 355 SER Chi-restraints excluded: chain I residue 359 VAL Chi-restraints excluded: chain I residue 371 ARG Chi-restraints excluded: chain I residue 373 SER Chi-restraints excluded: chain I residue 381 ILE Chi-restraints excluded: chain I residue 383 THR Chi-restraints excluded: chain I residue 384 ILE Chi-restraints excluded: chain I residue 385 LEU Chi-restraints excluded: chain I residue 387 SER Chi-restraints excluded: chain I residue 389 ILE Chi-restraints excluded: chain I residue 398 VAL Chi-restraints excluded: chain I residue 400 VAL Chi-restraints excluded: chain I residue 406 HIS Chi-restraints excluded: chain I residue 407 LYS Chi-restraints excluded: chain I residue 408 TYR Chi-restraints excluded: chain I residue 411 VAL Chi-restraints excluded: chain I residue 413 LYS Chi-restraints excluded: chain I residue 425 ILE Chi-restraints excluded: chain I residue 431 VAL Chi-restraints excluded: chain I residue 443 ILE Chi-restraints excluded: chain I residue 447 TYR Chi-restraints excluded: chain I residue 456 ASP Chi-restraints excluded: chain I residue 457 ASP Chi-restraints excluded: chain I residue 462 TYR Chi-restraints excluded: chain I residue 463 LEU Chi-restraints excluded: chain I residue 471 ILE Chi-restraints excluded: chain I residue 475 LEU Chi-restraints excluded: chain I residue 478 ILE Chi-restraints excluded: chain I residue 480 HIS Chi-restraints excluded: chain I residue 485 THR Chi-restraints excluded: chain I residue 487 PHE Chi-restraints excluded: chain I residue 489 MET Chi-restraints excluded: chain I residue 492 LEU Chi-restraints excluded: chain I residue 494 PHE Chi-restraints excluded: chain I residue 497 LEU Chi-restraints excluded: chain I residue 499 GLN Chi-restraints excluded: chain I residue 501 ILE Chi-restraints excluded: chain I residue 516 ASN Chi-restraints excluded: chain I residue 524 TYR Chi-restraints excluded: chain I residue 528 ILE Chi-restraints excluded: chain I residue 536 GLU Chi-restraints excluded: chain I residue 539 VAL Chi-restraints excluded: chain I residue 544 ASP Chi-restraints excluded: chain I residue 549 ILE Chi-restraints excluded: chain I residue 559 THR Chi-restraints excluded: chain I residue 564 ILE Chi-restraints excluded: chain I residue 576 GLU Chi-restraints excluded: chain I residue 580 GLN Chi-restraints excluded: chain J residue 12 TYR Chi-restraints excluded: chain J residue 13 LYS Chi-restraints excluded: chain J residue 25 ASP Chi-restraints excluded: chain J residue 33 GLN Chi-restraints excluded: chain J residue 34 ASP Chi-restraints excluded: chain J residue 35 MET Chi-restraints excluded: chain J residue 38 SER Chi-restraints excluded: chain J residue 40 LEU Chi-restraints excluded: chain J residue 41 SER Chi-restraints excluded: chain J residue 44 GLU Chi-restraints excluded: chain J residue 46 ASP Chi-restraints excluded: chain J residue 51 SER Chi-restraints excluded: chain J residue 58 THR Chi-restraints excluded: chain J residue 60 ARG Chi-restraints excluded: chain J residue 77 VAL Chi-restraints excluded: chain J residue 80 VAL Chi-restraints excluded: chain J residue 82 ARG Chi-restraints excluded: chain J residue 89 MET Chi-restraints excluded: chain J residue 92 ILE Chi-restraints excluded: chain J residue 93 LYS Chi-restraints excluded: chain J residue 100 SER Chi-restraints excluded: chain J residue 101 MET Chi-restraints excluded: chain J residue 104 ARG Chi-restraints excluded: chain J residue 107 ILE Chi-restraints excluded: chain J residue 110 ARG Chi-restraints excluded: chain J residue 116 ASP Chi-restraints excluded: chain J residue 127 ARG Chi-restraints excluded: chain J residue 131 TYR Chi-restraints excluded: chain J residue 133 LYS Chi-restraints excluded: chain J residue 135 ARG Chi-restraints excluded: chain J residue 141 LEU Chi-restraints excluded: chain J residue 153 LEU Chi-restraints excluded: chain J residue 157 LYS Chi-restraints excluded: chain J residue 158 THR Chi-restraints excluded: chain J residue 162 LEU Chi-restraints excluded: chain J residue 164 VAL Chi-restraints excluded: chain J residue 166 LEU Chi-restraints excluded: chain J residue 167 SER Chi-restraints excluded: chain J residue 173 LYS Chi-restraints excluded: chain J residue 177 LYS Chi-restraints excluded: chain J residue 179 PHE Chi-restraints excluded: chain J residue 193 LEU Chi-restraints excluded: chain J residue 199 LEU Chi-restraints excluded: chain J residue 203 ILE Chi-restraints excluded: chain J residue 204 ASP Chi-restraints excluded: chain J residue 208 THR Chi-restraints excluded: chain J residue 210 ARG Chi-restraints excluded: chain J residue 211 SER Chi-restraints excluded: chain J residue 217 ILE Chi-restraints excluded: chain J residue 218 LYS Chi-restraints excluded: chain J residue 219 LEU Chi-restraints excluded: chain J residue 221 ILE Chi-restraints excluded: chain J residue 230 ARG Chi-restraints excluded: chain J residue 234 SER Chi-restraints excluded: chain J residue 236 PRO Chi-restraints excluded: chain J residue 239 ASN Chi-restraints excluded: chain J residue 242 LEU Chi-restraints excluded: chain J residue 245 LEU Chi-restraints excluded: chain J residue 247 VAL Chi-restraints excluded: chain J residue 249 ASN Chi-restraints excluded: chain J residue 251 LYS Chi-restraints excluded: chain J residue 254 ASN Chi-restraints excluded: chain J residue 256 PHE Chi-restraints excluded: chain J residue 258 LEU Chi-restraints excluded: chain J residue 266 THR Chi-restraints excluded: chain J residue 267 ARG Chi-restraints excluded: chain J residue 271 VAL Chi-restraints excluded: chain J residue 273 ASP Chi-restraints excluded: chain J residue 280 THR Chi-restraints excluded: chain J residue 281 THR Chi-restraints excluded: chain J residue 285 LEU Chi-restraints excluded: chain J residue 288 HIS Chi-restraints excluded: chain J residue 290 MET Chi-restraints excluded: chain J residue 292 LEU Chi-restraints excluded: chain J residue 293 THR Chi-restraints excluded: chain J residue 297 VAL Chi-restraints excluded: chain J residue 299 SER Chi-restraints excluded: chain J residue 307 CYS Chi-restraints excluded: chain J residue 319 THR Chi-restraints excluded: chain J residue 321 PRO Chi-restraints excluded: chain J residue 322 ARG Chi-restraints excluded: chain J residue 323 ARG Chi-restraints excluded: chain J residue 324 LEU Chi-restraints excluded: chain J residue 325 SER Chi-restraints excluded: chain J residue 327 ILE Chi-restraints excluded: chain J residue 331 ILE Chi-restraints excluded: chain J residue 333 ASP Chi-restraints excluded: chain J residue 338 TRP Chi-restraints excluded: chain J residue 339 ASP Chi-restraints excluded: chain J residue 342 LYS Chi-restraints excluded: chain J residue 349 LEU Chi-restraints excluded: chain J residue 351 THR Chi-restraints excluded: chain J residue 352 ILE Chi-restraints excluded: chain J residue 353 ILE Chi-restraints excluded: chain J residue 370 ASP Chi-restraints excluded: chain J residue 373 SER Chi-restraints excluded: chain J residue 378 SER Chi-restraints excluded: chain J residue 381 ILE Chi-restraints excluded: chain J residue 383 THR Chi-restraints excluded: chain J residue 384 ILE Chi-restraints excluded: chain J residue 385 LEU Chi-restraints excluded: chain J residue 387 SER Chi-restraints excluded: chain J residue 397 ASP Chi-restraints excluded: chain J residue 398 VAL Chi-restraints excluded: chain J residue 406 HIS Chi-restraints excluded: chain J residue 407 LYS Chi-restraints excluded: chain J residue 408 TYR Chi-restraints excluded: chain J residue 413 LYS Chi-restraints excluded: chain J residue 419 THR Chi-restraints excluded: chain J residue 421 SER Chi-restraints excluded: chain J residue 428 GLU Chi-restraints excluded: chain J residue 431 VAL Chi-restraints excluded: chain J residue 441 ARG Chi-restraints excluded: chain J residue 443 ILE Chi-restraints excluded: chain J residue 446 HIS Chi-restraints excluded: chain J residue 447 TYR Chi-restraints excluded: chain J residue 451 LYS Chi-restraints excluded: chain J residue 452 THR Chi-restraints excluded: chain J residue 456 ASP Chi-restraints excluded: chain J residue 457 ASP Chi-restraints excluded: chain J residue 463 LEU Chi-restraints excluded: chain J residue 471 ILE Chi-restraints excluded: chain J residue 476 LYS Chi-restraints excluded: chain J residue 478 ILE Chi-restraints excluded: chain J residue 479 GLU Chi-restraints excluded: chain J residue 480 HIS Chi-restraints excluded: chain J residue 485 THR Chi-restraints excluded: chain J residue 489 MET Chi-restraints excluded: chain J residue 490 VAL Chi-restraints excluded: chain J residue 494 PHE Chi-restraints excluded: chain J residue 496 PHE Chi-restraints excluded: chain J residue 497 LEU Chi-restraints excluded: chain J residue 499 GLN Chi-restraints excluded: chain J residue 501 ILE Chi-restraints excluded: chain J residue 522 LYS Chi-restraints excluded: chain J residue 528 ILE Chi-restraints excluded: chain J residue 533 PRO Chi-restraints excluded: chain J residue 535 TYR Chi-restraints excluded: chain J residue 536 GLU Chi-restraints excluded: chain J residue 539 VAL Chi-restraints excluded: chain J residue 544 ASP Chi-restraints excluded: chain J residue 549 ILE Chi-restraints excluded: chain J residue 559 THR Chi-restraints excluded: chain J residue 564 ILE Chi-restraints excluded: chain J residue 570 ASP Chi-restraints excluded: chain J residue 573 ILE Chi-restraints excluded: chain J residue 576 GLU Chi-restraints excluded: chain K residue 11 GLN Chi-restraints excluded: chain K residue 12 TYR Chi-restraints excluded: chain K residue 13 LYS Chi-restraints excluded: chain K residue 15 ILE Chi-restraints excluded: chain K residue 19 PHE Chi-restraints excluded: chain K residue 25 ASP Chi-restraints excluded: chain K residue 26 ASN Chi-restraints excluded: chain K residue 32 VAL Chi-restraints excluded: chain K residue 33 GLN Chi-restraints excluded: chain K residue 34 ASP Chi-restraints excluded: chain K residue 35 MET Chi-restraints excluded: chain K residue 38 SER Chi-restraints excluded: chain K residue 39 ILE Chi-restraints excluded: chain K residue 41 SER Chi-restraints excluded: chain K residue 44 GLU Chi-restraints excluded: chain K residue 50 MET Chi-restraints excluded: chain K residue 51 SER Chi-restraints excluded: chain K residue 58 THR Chi-restraints excluded: chain K residue 65 LEU Chi-restraints excluded: chain K residue 66 LEU Chi-restraints excluded: chain K residue 72 MET Chi-restraints excluded: chain K residue 77 VAL Chi-restraints excluded: chain K residue 79 GLU Chi-restraints excluded: chain K residue 80 VAL Chi-restraints excluded: chain K residue 81 LEU Chi-restraints excluded: chain K residue 82 ARG Chi-restraints excluded: chain K residue 83 ILE Chi-restraints excluded: chain K residue 85 TYR Chi-restraints excluded: chain K residue 92 ILE Chi-restraints excluded: chain K residue 94 THR Chi-restraints excluded: chain K residue 97 ARG Chi-restraints excluded: chain K residue 100 SER Chi-restraints excluded: chain K residue 103 THR Chi-restraints excluded: chain K residue 104 ARG Chi-restraints excluded: chain K residue 107 ILE Chi-restraints excluded: chain K residue 110 ARG Chi-restraints excluded: chain K residue 122 LYS Chi-restraints excluded: chain K residue 127 ARG Chi-restraints excluded: chain K residue 131 TYR Chi-restraints excluded: chain K residue 135 ARG Chi-restraints excluded: chain K residue 139 LEU Chi-restraints excluded: chain K residue 140 GLU Chi-restraints excluded: chain K residue 141 LEU Chi-restraints excluded: chain K residue 150 ASP Chi-restraints excluded: chain K residue 153 LEU Chi-restraints excluded: chain K residue 157 LYS Chi-restraints excluded: chain K residue 158 THR Chi-restraints excluded: chain K residue 160 VAL Chi-restraints excluded: chain K residue 166 LEU Chi-restraints excluded: chain K residue 167 SER Chi-restraints excluded: chain K residue 169 LYS Chi-restraints excluded: chain K residue 181 LEU Chi-restraints excluded: chain K residue 188 SER Chi-restraints excluded: chain K residue 191 THR Chi-restraints excluded: chain K residue 193 LEU Chi-restraints excluded: chain K residue 204 ASP Chi-restraints excluded: chain K residue 208 THR Chi-restraints excluded: chain K residue 221 ILE Chi-restraints excluded: chain K residue 225 GLN Chi-restraints excluded: chain K residue 231 LEU Chi-restraints excluded: chain K residue 234 SER Chi-restraints excluded: chain K residue 239 ASN Chi-restraints excluded: chain K residue 246 ASN Chi-restraints excluded: chain K residue 251 LYS Chi-restraints excluded: chain K residue 258 LEU Chi-restraints excluded: chain K residue 262 ILE Chi-restraints excluded: chain K residue 264 LEU Chi-restraints excluded: chain K residue 266 THR Chi-restraints excluded: chain K residue 273 ASP Chi-restraints excluded: chain K residue 279 THR Chi-restraints excluded: chain K residue 280 THR Chi-restraints excluded: chain K residue 281 THR Chi-restraints excluded: chain K residue 284 SER Chi-restraints excluded: chain K residue 285 LEU Chi-restraints excluded: chain K residue 288 HIS Chi-restraints excluded: chain K residue 291 THR Chi-restraints excluded: chain K residue 292 LEU Chi-restraints excluded: chain K residue 293 THR Chi-restraints excluded: chain K residue 305 LEU Chi-restraints excluded: chain K residue 321 PRO Chi-restraints excluded: chain K residue 323 ARG Chi-restraints excluded: chain K residue 324 LEU Chi-restraints excluded: chain K residue 325 SER Chi-restraints excluded: chain K residue 327 ILE Chi-restraints excluded: chain K residue 329 GLU Chi-restraints excluded: chain K residue 331 ILE Chi-restraints excluded: chain K residue 333 ASP Chi-restraints excluded: chain K residue 338 TRP Chi-restraints excluded: chain K residue 339 ASP Chi-restraints excluded: chain K residue 342 LYS Chi-restraints excluded: chain K residue 343 HIS Chi-restraints excluded: chain K residue 351 THR Chi-restraints excluded: chain K residue 352 ILE Chi-restraints excluded: chain K residue 353 ILE Chi-restraints excluded: chain K residue 355 SER Chi-restraints excluded: chain K residue 359 VAL Chi-restraints excluded: chain K residue 371 ARG Chi-restraints excluded: chain K residue 373 SER Chi-restraints excluded: chain K residue 381 ILE Chi-restraints excluded: chain K residue 383 THR Chi-restraints excluded: chain K residue 384 ILE Chi-restraints excluded: chain K residue 385 LEU Chi-restraints excluded: chain K residue 387 SER Chi-restraints excluded: chain K residue 389 ILE Chi-restraints excluded: chain K residue 398 VAL Chi-restraints excluded: chain K residue 400 VAL Chi-restraints excluded: chain K residue 406 HIS Chi-restraints excluded: chain K residue 407 LYS Chi-restraints excluded: chain K residue 408 TYR Chi-restraints excluded: chain K residue 411 VAL Chi-restraints excluded: chain K residue 413 LYS Chi-restraints excluded: chain K residue 425 ILE Chi-restraints excluded: chain K residue 431 VAL Chi-restraints excluded: chain K residue 443 ILE Chi-restraints excluded: chain K residue 447 TYR Chi-restraints excluded: chain K residue 456 ASP Chi-restraints excluded: chain K residue 462 TYR Chi-restraints excluded: chain K residue 463 LEU Chi-restraints excluded: chain K residue 471 ILE Chi-restraints excluded: chain K residue 478 ILE Chi-restraints excluded: chain K residue 480 HIS Chi-restraints excluded: chain K residue 485 THR Chi-restraints excluded: chain K residue 487 PHE Chi-restraints excluded: chain K residue 489 MET Chi-restraints excluded: chain K residue 492 LEU Chi-restraints excluded: chain K residue 494 PHE Chi-restraints excluded: chain K residue 497 LEU Chi-restraints excluded: chain K residue 499 GLN Chi-restraints excluded: chain K residue 501 ILE Chi-restraints excluded: chain K residue 516 ASN Chi-restraints excluded: chain K residue 524 TYR Chi-restraints excluded: chain K residue 528 ILE Chi-restraints excluded: chain K residue 535 TYR Chi-restraints excluded: chain K residue 536 GLU Chi-restraints excluded: chain K residue 539 VAL Chi-restraints excluded: chain K residue 544 ASP Chi-restraints excluded: chain K residue 549 ILE Chi-restraints excluded: chain K residue 559 THR Chi-restraints excluded: chain K residue 564 ILE Chi-restraints excluded: chain K residue 576 GLU Chi-restraints excluded: chain K residue 580 GLN Chi-restraints excluded: chain L residue 12 TYR Chi-restraints excluded: chain L residue 13 LYS Chi-restraints excluded: chain L residue 19 PHE Chi-restraints excluded: chain L residue 25 ASP Chi-restraints excluded: chain L residue 33 GLN Chi-restraints excluded: chain L residue 34 ASP Chi-restraints excluded: chain L residue 38 SER Chi-restraints excluded: chain L residue 40 LEU Chi-restraints excluded: chain L residue 41 SER Chi-restraints excluded: chain L residue 44 GLU Chi-restraints excluded: chain L residue 46 ASP Chi-restraints excluded: chain L residue 50 MET Chi-restraints excluded: chain L residue 51 SER Chi-restraints excluded: chain L residue 58 THR Chi-restraints excluded: chain L residue 60 ARG Chi-restraints excluded: chain L residue 77 VAL Chi-restraints excluded: chain L residue 80 VAL Chi-restraints excluded: chain L residue 82 ARG Chi-restraints excluded: chain L residue 87 PHE Chi-restraints excluded: chain L residue 92 ILE Chi-restraints excluded: chain L residue 93 LYS Chi-restraints excluded: chain L residue 100 SER Chi-restraints excluded: chain L residue 101 MET Chi-restraints excluded: chain L residue 104 ARG Chi-restraints excluded: chain L residue 107 ILE Chi-restraints excluded: chain L residue 110 ARG Chi-restraints excluded: chain L residue 116 ASP Chi-restraints excluded: chain L residue 127 ARG Chi-restraints excluded: chain L residue 131 TYR Chi-restraints excluded: chain L residue 133 LYS Chi-restraints excluded: chain L residue 135 ARG Chi-restraints excluded: chain L residue 141 LEU Chi-restraints excluded: chain L residue 153 LEU Chi-restraints excluded: chain L residue 157 LYS Chi-restraints excluded: chain L residue 158 THR Chi-restraints excluded: chain L residue 162 LEU Chi-restraints excluded: chain L residue 164 VAL Chi-restraints excluded: chain L residue 166 LEU Chi-restraints excluded: chain L residue 167 SER Chi-restraints excluded: chain L residue 173 LYS Chi-restraints excluded: chain L residue 177 LYS Chi-restraints excluded: chain L residue 179 PHE Chi-restraints excluded: chain L residue 193 LEU Chi-restraints excluded: chain L residue 199 LEU Chi-restraints excluded: chain L residue 203 ILE Chi-restraints excluded: chain L residue 204 ASP Chi-restraints excluded: chain L residue 208 THR Chi-restraints excluded: chain L residue 210 ARG Chi-restraints excluded: chain L residue 211 SER Chi-restraints excluded: chain L residue 217 ILE Chi-restraints excluded: chain L residue 218 LYS Chi-restraints excluded: chain L residue 219 LEU Chi-restraints excluded: chain L residue 221 ILE Chi-restraints excluded: chain L residue 230 ARG Chi-restraints excluded: chain L residue 234 SER Chi-restraints excluded: chain L residue 236 PRO Chi-restraints excluded: chain L residue 239 ASN Chi-restraints excluded: chain L residue 242 LEU Chi-restraints excluded: chain L residue 245 LEU Chi-restraints excluded: chain L residue 247 VAL Chi-restraints excluded: chain L residue 249 ASN Chi-restraints excluded: chain L residue 254 ASN Chi-restraints excluded: chain L residue 256 PHE Chi-restraints excluded: chain L residue 258 LEU Chi-restraints excluded: chain L residue 266 THR Chi-restraints excluded: chain L residue 267 ARG Chi-restraints excluded: chain L residue 271 VAL Chi-restraints excluded: chain L residue 273 ASP Chi-restraints excluded: chain L residue 280 THR Chi-restraints excluded: chain L residue 281 THR Chi-restraints excluded: chain L residue 285 LEU Chi-restraints excluded: chain L residue 288 HIS Chi-restraints excluded: chain L residue 290 MET Chi-restraints excluded: chain L residue 292 LEU Chi-restraints excluded: chain L residue 293 THR Chi-restraints excluded: chain L residue 297 VAL Chi-restraints excluded: chain L residue 299 SER Chi-restraints excluded: chain L residue 307 CYS Chi-restraints excluded: chain L residue 319 THR Chi-restraints excluded: chain L residue 321 PRO Chi-restraints excluded: chain L residue 322 ARG Chi-restraints excluded: chain L residue 323 ARG Chi-restraints excluded: chain L residue 324 LEU Chi-restraints excluded: chain L residue 325 SER Chi-restraints excluded: chain L residue 327 ILE Chi-restraints excluded: chain L residue 331 ILE Chi-restraints excluded: chain L residue 333 ASP Chi-restraints excluded: chain L residue 338 TRP Chi-restraints excluded: chain L residue 339 ASP Chi-restraints excluded: chain L residue 342 LYS Chi-restraints excluded: chain L residue 349 LEU Chi-restraints excluded: chain L residue 351 THR Chi-restraints excluded: chain L residue 352 ILE Chi-restraints excluded: chain L residue 353 ILE Chi-restraints excluded: chain L residue 360 LEU Chi-restraints excluded: chain L residue 370 ASP Chi-restraints excluded: chain L residue 373 SER Chi-restraints excluded: chain L residue 378 SER Chi-restraints excluded: chain L residue 381 ILE Chi-restraints excluded: chain L residue 383 THR Chi-restraints excluded: chain L residue 384 ILE Chi-restraints excluded: chain L residue 385 LEU Chi-restraints excluded: chain L residue 387 SER Chi-restraints excluded: chain L residue 397 ASP Chi-restraints excluded: chain L residue 398 VAL Chi-restraints excluded: chain L residue 406 HIS Chi-restraints excluded: chain L residue 407 LYS Chi-restraints excluded: chain L residue 408 TYR Chi-restraints excluded: chain L residue 413 LYS Chi-restraints excluded: chain L residue 419 THR Chi-restraints excluded: chain L residue 421 SER Chi-restraints excluded: chain L residue 428 GLU Chi-restraints excluded: chain L residue 431 VAL Chi-restraints excluded: chain L residue 441 ARG Chi-restraints excluded: chain L residue 443 ILE Chi-restraints excluded: chain L residue 447 TYR Chi-restraints excluded: chain L residue 451 LYS Chi-restraints excluded: chain L residue 452 THR Chi-restraints excluded: chain L residue 456 ASP Chi-restraints excluded: chain L residue 457 ASP Chi-restraints excluded: chain L residue 463 LEU Chi-restraints excluded: chain L residue 471 ILE Chi-restraints excluded: chain L residue 478 ILE Chi-restraints excluded: chain L residue 479 GLU Chi-restraints excluded: chain L residue 480 HIS Chi-restraints excluded: chain L residue 485 THR Chi-restraints excluded: chain L residue 489 MET Chi-restraints excluded: chain L residue 490 VAL Chi-restraints excluded: chain L residue 494 PHE Chi-restraints excluded: chain L residue 496 PHE Chi-restraints excluded: chain L residue 497 LEU Chi-restraints excluded: chain L residue 499 GLN Chi-restraints excluded: chain L residue 501 ILE Chi-restraints excluded: chain L residue 526 PRO Chi-restraints excluded: chain L residue 528 ILE Chi-restraints excluded: chain L residue 533 PRO Chi-restraints excluded: chain L residue 535 TYR Chi-restraints excluded: chain L residue 536 GLU Chi-restraints excluded: chain L residue 539 VAL Chi-restraints excluded: chain L residue 544 ASP Chi-restraints excluded: chain L residue 549 ILE Chi-restraints excluded: chain L residue 559 THR Chi-restraints excluded: chain L residue 564 ILE Chi-restraints excluded: chain L residue 570 ASP Chi-restraints excluded: chain L residue 573 ILE Chi-restraints excluded: chain L residue 576 GLU Chi-restraints excluded: chain M residue 11 GLN Chi-restraints excluded: chain M residue 12 TYR Chi-restraints excluded: chain M residue 13 LYS Chi-restraints excluded: chain M residue 14 ASP Chi-restraints excluded: chain M residue 15 ILE Chi-restraints excluded: chain M residue 19 PHE Chi-restraints excluded: chain M residue 25 ASP Chi-restraints excluded: chain M residue 26 ASN Chi-restraints excluded: chain M residue 32 VAL Chi-restraints excluded: chain M residue 33 GLN Chi-restraints excluded: chain M residue 34 ASP Chi-restraints excluded: chain M residue 35 MET Chi-restraints excluded: chain M residue 38 SER Chi-restraints excluded: chain M residue 39 ILE Chi-restraints excluded: chain M residue 41 SER Chi-restraints excluded: chain M residue 44 GLU Chi-restraints excluded: chain M residue 50 MET Chi-restraints excluded: chain M residue 51 SER Chi-restraints excluded: chain M residue 58 THR Chi-restraints excluded: chain M residue 65 LEU Chi-restraints excluded: chain M residue 66 LEU Chi-restraints excluded: chain M residue 77 VAL Chi-restraints excluded: chain M residue 79 GLU Chi-restraints excluded: chain M residue 80 VAL Chi-restraints excluded: chain M residue 81 LEU Chi-restraints excluded: chain M residue 82 ARG Chi-restraints excluded: chain M residue 83 ILE Chi-restraints excluded: chain M residue 85 TYR Chi-restraints excluded: chain M residue 92 ILE Chi-restraints excluded: chain M residue 94 THR Chi-restraints excluded: chain M residue 97 ARG Chi-restraints excluded: chain M residue 100 SER Chi-restraints excluded: chain M residue 103 THR Chi-restraints excluded: chain M residue 107 ILE Chi-restraints excluded: chain M residue 110 ARG Chi-restraints excluded: chain M residue 122 LYS Chi-restraints excluded: chain M residue 127 ARG Chi-restraints excluded: chain M residue 131 TYR Chi-restraints excluded: chain M residue 135 ARG Chi-restraints excluded: chain M residue 139 LEU Chi-restraints excluded: chain M residue 140 GLU Chi-restraints excluded: chain M residue 141 LEU Chi-restraints excluded: chain M residue 150 ASP Chi-restraints excluded: chain M residue 153 LEU Chi-restraints excluded: chain M residue 157 LYS Chi-restraints excluded: chain M residue 158 THR Chi-restraints excluded: chain M residue 160 VAL Chi-restraints excluded: chain M residue 166 LEU Chi-restraints excluded: chain M residue 167 SER Chi-restraints excluded: chain M residue 188 SER Chi-restraints excluded: chain M residue 191 THR Chi-restraints excluded: chain M residue 193 LEU Chi-restraints excluded: chain M residue 204 ASP Chi-restraints excluded: chain M residue 208 THR Chi-restraints excluded: chain M residue 221 ILE Chi-restraints excluded: chain M residue 225 GLN Chi-restraints excluded: chain M residue 234 SER Chi-restraints excluded: chain M residue 239 ASN Chi-restraints excluded: chain M residue 246 ASN Chi-restraints excluded: chain M residue 258 LEU Chi-restraints excluded: chain M residue 262 ILE Chi-restraints excluded: chain M residue 266 THR Chi-restraints excluded: chain M residue 273 ASP Chi-restraints excluded: chain M residue 274 PHE Chi-restraints excluded: chain M residue 279 THR Chi-restraints excluded: chain M residue 280 THR Chi-restraints excluded: chain M residue 281 THR Chi-restraints excluded: chain M residue 284 SER Chi-restraints excluded: chain M residue 285 LEU Chi-restraints excluded: chain M residue 288 HIS Chi-restraints excluded: chain M residue 291 THR Chi-restraints excluded: chain M residue 292 LEU Chi-restraints excluded: chain M residue 293 THR Chi-restraints excluded: chain M residue 298 LYS Chi-restraints excluded: chain M residue 305 LEU Chi-restraints excluded: chain M residue 321 PRO Chi-restraints excluded: chain M residue 323 ARG Chi-restraints excluded: chain M residue 324 LEU Chi-restraints excluded: chain M residue 325 SER Chi-restraints excluded: chain M residue 327 ILE Chi-restraints excluded: chain M residue 329 GLU Chi-restraints excluded: chain M residue 331 ILE Chi-restraints excluded: chain M residue 333 ASP Chi-restraints excluded: chain M residue 338 TRP Chi-restraints excluded: chain M residue 339 ASP Chi-restraints excluded: chain M residue 342 LYS Chi-restraints excluded: chain M residue 343 HIS Chi-restraints excluded: chain M residue 349 LEU Chi-restraints excluded: chain M residue 351 THR Chi-restraints excluded: chain M residue 352 ILE Chi-restraints excluded: chain M residue 353 ILE Chi-restraints excluded: chain M residue 355 SER Chi-restraints excluded: chain M residue 359 VAL Chi-restraints excluded: chain M residue 365 TYR Chi-restraints excluded: chain M residue 370 ASP Chi-restraints excluded: chain M residue 371 ARG Chi-restraints excluded: chain M residue 373 SER Chi-restraints excluded: chain M residue 381 ILE Chi-restraints excluded: chain M residue 383 THR Chi-restraints excluded: chain M residue 384 ILE Chi-restraints excluded: chain M residue 385 LEU Chi-restraints excluded: chain M residue 387 SER Chi-restraints excluded: chain M residue 389 ILE Chi-restraints excluded: chain M residue 397 ASP Chi-restraints excluded: chain M residue 406 HIS Chi-restraints excluded: chain M residue 407 LYS Chi-restraints excluded: chain M residue 408 TYR Chi-restraints excluded: chain M residue 411 VAL Chi-restraints excluded: chain M residue 413 LYS Chi-restraints excluded: chain M residue 425 ILE Chi-restraints excluded: chain M residue 431 VAL Chi-restraints excluded: chain M residue 443 ILE Chi-restraints excluded: chain M residue 447 TYR Chi-restraints excluded: chain M residue 452 THR Chi-restraints excluded: chain M residue 456 ASP Chi-restraints excluded: chain M residue 457 ASP Chi-restraints excluded: chain M residue 462 TYR Chi-restraints excluded: chain M residue 463 LEU Chi-restraints excluded: chain M residue 471 ILE Chi-restraints excluded: chain M residue 475 LEU Chi-restraints excluded: chain M residue 478 ILE Chi-restraints excluded: chain M residue 480 HIS Chi-restraints excluded: chain M residue 485 THR Chi-restraints excluded: chain M residue 487 PHE Chi-restraints excluded: chain M residue 489 MET Chi-restraints excluded: chain M residue 492 LEU Chi-restraints excluded: chain M residue 494 PHE Chi-restraints excluded: chain M residue 497 LEU Chi-restraints excluded: chain M residue 499 GLN Chi-restraints excluded: chain M residue 501 ILE Chi-restraints excluded: chain M residue 516 ASN Chi-restraints excluded: chain M residue 524 TYR Chi-restraints excluded: chain M residue 528 ILE Chi-restraints excluded: chain M residue 535 TYR Chi-restraints excluded: chain M residue 536 GLU Chi-restraints excluded: chain M residue 539 VAL Chi-restraints excluded: chain M residue 544 ASP Chi-restraints excluded: chain M residue 549 ILE Chi-restraints excluded: chain M residue 559 THR Chi-restraints excluded: chain M residue 564 ILE Chi-restraints excluded: chain M residue 576 GLU Chi-restraints excluded: chain M residue 580 GLN Chi-restraints excluded: chain N residue 12 TYR Chi-restraints excluded: chain N residue 13 LYS Chi-restraints excluded: chain N residue 19 PHE Chi-restraints excluded: chain N residue 25 ASP Chi-restraints excluded: chain N residue 33 GLN Chi-restraints excluded: chain N residue 34 ASP Chi-restraints excluded: chain N residue 35 MET Chi-restraints excluded: chain N residue 38 SER Chi-restraints excluded: chain N residue 40 LEU Chi-restraints excluded: chain N residue 41 SER Chi-restraints excluded: chain N residue 44 GLU Chi-restraints excluded: chain N residue 46 ASP Chi-restraints excluded: chain N residue 51 SER Chi-restraints excluded: chain N residue 58 THR Chi-restraints excluded: chain N residue 77 VAL Chi-restraints excluded: chain N residue 80 VAL Chi-restraints excluded: chain N residue 82 ARG Chi-restraints excluded: chain N residue 87 PHE Chi-restraints excluded: chain N residue 93 LYS Chi-restraints excluded: chain N residue 100 SER Chi-restraints excluded: chain N residue 101 MET Chi-restraints excluded: chain N residue 104 ARG Chi-restraints excluded: chain N residue 107 ILE Chi-restraints excluded: chain N residue 110 ARG Chi-restraints excluded: chain N residue 116 ASP Chi-restraints excluded: chain N residue 127 ARG Chi-restraints excluded: chain N residue 131 TYR Chi-restraints excluded: chain N residue 133 LYS Chi-restraints excluded: chain N residue 135 ARG Chi-restraints excluded: chain N residue 141 LEU Chi-restraints excluded: chain N residue 157 LYS Chi-restraints excluded: chain N residue 158 THR Chi-restraints excluded: chain N residue 162 LEU Chi-restraints excluded: chain N residue 164 VAL Chi-restraints excluded: chain N residue 166 LEU Chi-restraints excluded: chain N residue 167 SER Chi-restraints excluded: chain N residue 173 LYS Chi-restraints excluded: chain N residue 177 LYS Chi-restraints excluded: chain N residue 188 SER Chi-restraints excluded: chain N residue 193 LEU Chi-restraints excluded: chain N residue 199 LEU Chi-restraints excluded: chain N residue 203 ILE Chi-restraints excluded: chain N residue 204 ASP Chi-restraints excluded: chain N residue 208 THR Chi-restraints excluded: chain N residue 210 ARG Chi-restraints excluded: chain N residue 211 SER Chi-restraints excluded: chain N residue 217 ILE Chi-restraints excluded: chain N residue 218 LYS Chi-restraints excluded: chain N residue 219 LEU Chi-restraints excluded: chain N residue 221 ILE Chi-restraints excluded: chain N residue 230 ARG Chi-restraints excluded: chain N residue 234 SER Chi-restraints excluded: chain N residue 236 PRO Chi-restraints excluded: chain N residue 239 ASN Chi-restraints excluded: chain N residue 242 LEU Chi-restraints excluded: chain N residue 245 LEU Chi-restraints excluded: chain N residue 247 VAL Chi-restraints excluded: chain N residue 249 ASN Chi-restraints excluded: chain N residue 254 ASN Chi-restraints excluded: chain N residue 256 PHE Chi-restraints excluded: chain N residue 258 LEU Chi-restraints excluded: chain N residue 266 THR Chi-restraints excluded: chain N residue 267 ARG Chi-restraints excluded: chain N residue 271 VAL Chi-restraints excluded: chain N residue 273 ASP Chi-restraints excluded: chain N residue 280 THR Chi-restraints excluded: chain N residue 281 THR Chi-restraints excluded: chain N residue 284 SER Chi-restraints excluded: chain N residue 288 HIS Chi-restraints excluded: chain N residue 290 MET Chi-restraints excluded: chain N residue 292 LEU Chi-restraints excluded: chain N residue 293 THR Chi-restraints excluded: chain N residue 297 VAL Chi-restraints excluded: chain N residue 299 SER Chi-restraints excluded: chain N residue 307 CYS Chi-restraints excluded: chain N residue 319 THR Chi-restraints excluded: chain N residue 321 PRO Chi-restraints excluded: chain N residue 322 ARG Chi-restraints excluded: chain N residue 323 ARG Chi-restraints excluded: chain N residue 324 LEU Chi-restraints excluded: chain N residue 325 SER Chi-restraints excluded: chain N residue 327 ILE Chi-restraints excluded: chain N residue 331 ILE Chi-restraints excluded: chain N residue 333 ASP Chi-restraints excluded: chain N residue 338 TRP Chi-restraints excluded: chain N residue 339 ASP Chi-restraints excluded: chain N residue 342 LYS Chi-restraints excluded: chain N residue 349 LEU Chi-restraints excluded: chain N residue 351 THR Chi-restraints excluded: chain N residue 352 ILE Chi-restraints excluded: chain N residue 353 ILE Chi-restraints excluded: chain N residue 370 ASP Chi-restraints excluded: chain N residue 373 SER Chi-restraints excluded: chain N residue 378 SER Chi-restraints excluded: chain N residue 381 ILE Chi-restraints excluded: chain N residue 383 THR Chi-restraints excluded: chain N residue 384 ILE Chi-restraints excluded: chain N residue 385 LEU Chi-restraints excluded: chain N residue 387 SER Chi-restraints excluded: chain N residue 397 ASP Chi-restraints excluded: chain N residue 398 VAL Chi-restraints excluded: chain N residue 406 HIS Chi-restraints excluded: chain N residue 407 LYS Chi-restraints excluded: chain N residue 408 TYR Chi-restraints excluded: chain N residue 413 LYS Chi-restraints excluded: chain N residue 419 THR Chi-restraints excluded: chain N residue 421 SER Chi-restraints excluded: chain N residue 428 GLU Chi-restraints excluded: chain N residue 431 VAL Chi-restraints excluded: chain N residue 441 ARG Chi-restraints excluded: chain N residue 443 ILE Chi-restraints excluded: chain N residue 447 TYR Chi-restraints excluded: chain N residue 451 LYS Chi-restraints excluded: chain N residue 452 THR Chi-restraints excluded: chain N residue 456 ASP Chi-restraints excluded: chain N residue 457 ASP Chi-restraints excluded: chain N residue 463 LEU Chi-restraints excluded: chain N residue 471 ILE Chi-restraints excluded: chain N residue 478 ILE Chi-restraints excluded: chain N residue 479 GLU Chi-restraints excluded: chain N residue 480 HIS Chi-restraints excluded: chain N residue 485 THR Chi-restraints excluded: chain N residue 489 MET Chi-restraints excluded: chain N residue 490 VAL Chi-restraints excluded: chain N residue 494 PHE Chi-restraints excluded: chain N residue 496 PHE Chi-restraints excluded: chain N residue 497 LEU Chi-restraints excluded: chain N residue 499 GLN Chi-restraints excluded: chain N residue 501 ILE Chi-restraints excluded: chain N residue 526 PRO Chi-restraints excluded: chain N residue 528 ILE Chi-restraints excluded: chain N residue 533 PRO Chi-restraints excluded: chain N residue 535 TYR Chi-restraints excluded: chain N residue 536 GLU Chi-restraints excluded: chain N residue 539 VAL Chi-restraints excluded: chain N residue 544 ASP Chi-restraints excluded: chain N residue 549 ILE Chi-restraints excluded: chain N residue 559 THR Chi-restraints excluded: chain N residue 564 ILE Chi-restraints excluded: chain N residue 570 ASP Chi-restraints excluded: chain N residue 573 ILE Chi-restraints excluded: chain N residue 576 GLU Chi-restraints excluded: chain O residue 11 GLN Chi-restraints excluded: chain O residue 12 TYR Chi-restraints excluded: chain O residue 13 LYS Chi-restraints excluded: chain O residue 15 ILE Chi-restraints excluded: chain O residue 19 PHE Chi-restraints excluded: chain O residue 24 VAL Chi-restraints excluded: chain O residue 25 ASP Chi-restraints excluded: chain O residue 26 ASN Chi-restraints excluded: chain O residue 32 VAL Chi-restraints excluded: chain O residue 33 GLN Chi-restraints excluded: chain O residue 34 ASP Chi-restraints excluded: chain O residue 35 MET Chi-restraints excluded: chain O residue 38 SER Chi-restraints excluded: chain O residue 39 ILE Chi-restraints excluded: chain O residue 41 SER Chi-restraints excluded: chain O residue 44 GLU Chi-restraints excluded: chain O residue 50 MET Chi-restraints excluded: chain O residue 51 SER Chi-restraints excluded: chain O residue 56 SER Chi-restraints excluded: chain O residue 58 THR Chi-restraints excluded: chain O residue 65 LEU Chi-restraints excluded: chain O residue 66 LEU Chi-restraints excluded: chain O residue 72 MET Chi-restraints excluded: chain O residue 77 VAL Chi-restraints excluded: chain O residue 79 GLU Chi-restraints excluded: chain O residue 80 VAL Chi-restraints excluded: chain O residue 81 LEU Chi-restraints excluded: chain O residue 82 ARG Chi-restraints excluded: chain O residue 83 ILE Chi-restraints excluded: chain O residue 85 TYR Chi-restraints excluded: chain O residue 87 PHE Chi-restraints excluded: chain O residue 92 ILE Chi-restraints excluded: chain O residue 94 THR Chi-restraints excluded: chain O residue 97 ARG Chi-restraints excluded: chain O residue 100 SER Chi-restraints excluded: chain O residue 104 ARG Chi-restraints excluded: chain O residue 107 ILE Chi-restraints excluded: chain O residue 110 ARG Chi-restraints excluded: chain O residue 122 LYS Chi-restraints excluded: chain O residue 127 ARG Chi-restraints excluded: chain O residue 131 TYR Chi-restraints excluded: chain O residue 135 ARG Chi-restraints excluded: chain O residue 139 LEU Chi-restraints excluded: chain O residue 140 GLU Chi-restraints excluded: chain O residue 141 LEU Chi-restraints excluded: chain O residue 150 ASP Chi-restraints excluded: chain O residue 153 LEU Chi-restraints excluded: chain O residue 157 LYS Chi-restraints excluded: chain O residue 158 THR Chi-restraints excluded: chain O residue 160 VAL Chi-restraints excluded: chain O residue 166 LEU Chi-restraints excluded: chain O residue 167 SER Chi-restraints excluded: chain O residue 181 LEU Chi-restraints excluded: chain O residue 188 SER Chi-restraints excluded: chain O residue 191 THR Chi-restraints excluded: chain O residue 193 LEU Chi-restraints excluded: chain O residue 204 ASP Chi-restraints excluded: chain O residue 208 THR Chi-restraints excluded: chain O residue 217 ILE Chi-restraints excluded: chain O residue 221 ILE Chi-restraints excluded: chain O residue 225 GLN Chi-restraints excluded: chain O residue 234 SER Chi-restraints excluded: chain O residue 246 ASN Chi-restraints excluded: chain O residue 251 LYS Chi-restraints excluded: chain O residue 258 LEU Chi-restraints excluded: chain O residue 262 ILE Chi-restraints excluded: chain O residue 266 THR Chi-restraints excluded: chain O residue 273 ASP Chi-restraints excluded: chain O residue 280 THR Chi-restraints excluded: chain O residue 281 THR Chi-restraints excluded: chain O residue 284 SER Chi-restraints excluded: chain O residue 285 LEU Chi-restraints excluded: chain O residue 288 HIS Chi-restraints excluded: chain O residue 291 THR Chi-restraints excluded: chain O residue 292 LEU Chi-restraints excluded: chain O residue 293 THR Chi-restraints excluded: chain O residue 305 LEU Chi-restraints excluded: chain O residue 321 PRO Chi-restraints excluded: chain O residue 323 ARG Chi-restraints excluded: chain O residue 324 LEU Chi-restraints excluded: chain O residue 325 SER Chi-restraints excluded: chain O residue 327 ILE Chi-restraints excluded: chain O residue 329 GLU Chi-restraints excluded: chain O residue 331 ILE Chi-restraints excluded: chain O residue 333 ASP Chi-restraints excluded: chain O residue 338 TRP Chi-restraints excluded: chain O residue 339 ASP Chi-restraints excluded: chain O residue 342 LYS Chi-restraints excluded: chain O residue 343 HIS Chi-restraints excluded: chain O residue 349 LEU Chi-restraints excluded: chain O residue 351 THR Chi-restraints excluded: chain O residue 352 ILE Chi-restraints excluded: chain O residue 353 ILE Chi-restraints excluded: chain O residue 355 SER Chi-restraints excluded: chain O residue 359 VAL Chi-restraints excluded: chain O residue 367 LYS Chi-restraints excluded: chain O residue 370 ASP Chi-restraints excluded: chain O residue 371 ARG Chi-restraints excluded: chain O residue 373 SER Chi-restraints excluded: chain O residue 381 ILE Chi-restraints excluded: chain O residue 383 THR Chi-restraints excluded: chain O residue 384 ILE Chi-restraints excluded: chain O residue 385 LEU Chi-restraints excluded: chain O residue 387 SER Chi-restraints excluded: chain O residue 389 ILE Chi-restraints excluded: chain O residue 398 VAL Chi-restraints excluded: chain O residue 400 VAL Chi-restraints excluded: chain O residue 406 HIS Chi-restraints excluded: chain O residue 407 LYS Chi-restraints excluded: chain O residue 408 TYR Chi-restraints excluded: chain O residue 411 VAL Chi-restraints excluded: chain O residue 413 LYS Chi-restraints excluded: chain O residue 414 GLN Chi-restraints excluded: chain O residue 425 ILE Chi-restraints excluded: chain O residue 431 VAL Chi-restraints excluded: chain O residue 443 ILE Chi-restraints excluded: chain O residue 447 TYR Chi-restraints excluded: chain O residue 452 THR Chi-restraints excluded: chain O residue 456 ASP Chi-restraints excluded: chain O residue 462 TYR Chi-restraints excluded: chain O residue 463 LEU Chi-restraints excluded: chain O residue 471 ILE Chi-restraints excluded: chain O residue 475 LEU Chi-restraints excluded: chain O residue 478 ILE Chi-restraints excluded: chain O residue 480 HIS Chi-restraints excluded: chain O residue 485 THR Chi-restraints excluded: chain O residue 487 PHE Chi-restraints excluded: chain O residue 489 MET Chi-restraints excluded: chain O residue 492 LEU Chi-restraints excluded: chain O residue 494 PHE Chi-restraints excluded: chain O residue 497 LEU Chi-restraints excluded: chain O residue 499 GLN Chi-restraints excluded: chain O residue 501 ILE Chi-restraints excluded: chain O residue 516 ASN Chi-restraints excluded: chain O residue 524 TYR Chi-restraints excluded: chain O residue 528 ILE Chi-restraints excluded: chain O residue 535 TYR Chi-restraints excluded: chain O residue 536 GLU Chi-restraints excluded: chain O residue 539 VAL Chi-restraints excluded: chain O residue 544 ASP Chi-restraints excluded: chain O residue 549 ILE Chi-restraints excluded: chain O residue 559 THR Chi-restraints excluded: chain O residue 564 ILE Chi-restraints excluded: chain O residue 576 GLU Chi-restraints excluded: chain O residue 580 GLN Chi-restraints excluded: chain P residue 12 TYR Chi-restraints excluded: chain P residue 13 LYS Chi-restraints excluded: chain P residue 19 PHE Chi-restraints excluded: chain P residue 25 ASP Chi-restraints excluded: chain P residue 33 GLN Chi-restraints excluded: chain P residue 34 ASP Chi-restraints excluded: chain P residue 38 SER Chi-restraints excluded: chain P residue 40 LEU Chi-restraints excluded: chain P residue 41 SER Chi-restraints excluded: chain P residue 44 GLU Chi-restraints excluded: chain P residue 46 ASP Chi-restraints excluded: chain P residue 51 SER Chi-restraints excluded: chain P residue 58 THR Chi-restraints excluded: chain P residue 74 GLN Chi-restraints excluded: chain P residue 77 VAL Chi-restraints excluded: chain P residue 80 VAL Chi-restraints excluded: chain P residue 81 LEU Chi-restraints excluded: chain P residue 82 ARG Chi-restraints excluded: chain P residue 87 PHE Chi-restraints excluded: chain P residue 93 LYS Chi-restraints excluded: chain P residue 100 SER Chi-restraints excluded: chain P residue 101 MET Chi-restraints excluded: chain P residue 104 ARG Chi-restraints excluded: chain P residue 107 ILE Chi-restraints excluded: chain P residue 110 ARG Chi-restraints excluded: chain P residue 116 ASP Chi-restraints excluded: chain P residue 127 ARG Chi-restraints excluded: chain P residue 131 TYR Chi-restraints excluded: chain P residue 133 LYS Chi-restraints excluded: chain P residue 135 ARG Chi-restraints excluded: chain P residue 141 LEU Chi-restraints excluded: chain P residue 157 LYS Chi-restraints excluded: chain P residue 158 THR Chi-restraints excluded: chain P residue 160 VAL Chi-restraints excluded: chain P residue 162 LEU Chi-restraints excluded: chain P residue 164 VAL Chi-restraints excluded: chain P residue 166 LEU Chi-restraints excluded: chain P residue 167 SER Chi-restraints excluded: chain P residue 173 LYS Chi-restraints excluded: chain P residue 177 LYS Chi-restraints excluded: chain P residue 188 SER Chi-restraints excluded: chain P residue 193 LEU Chi-restraints excluded: chain P residue 199 LEU Chi-restraints excluded: chain P residue 203 ILE Chi-restraints excluded: chain P residue 204 ASP Chi-restraints excluded: chain P residue 208 THR Chi-restraints excluded: chain P residue 210 ARG Chi-restraints excluded: chain P residue 211 SER Chi-restraints excluded: chain P residue 217 ILE Chi-restraints excluded: chain P residue 218 LYS Chi-restraints excluded: chain P residue 219 LEU Chi-restraints excluded: chain P residue 221 ILE Chi-restraints excluded: chain P residue 230 ARG Chi-restraints excluded: chain P residue 236 PRO Chi-restraints excluded: chain P residue 239 ASN Chi-restraints excluded: chain P residue 242 LEU Chi-restraints excluded: chain P residue 245 LEU Chi-restraints excluded: chain P residue 247 VAL Chi-restraints excluded: chain P residue 249 ASN Chi-restraints excluded: chain P residue 254 ASN Chi-restraints excluded: chain P residue 256 PHE Chi-restraints excluded: chain P residue 258 LEU Chi-restraints excluded: chain P residue 266 THR Chi-restraints excluded: chain P residue 267 ARG Chi-restraints excluded: chain P residue 271 VAL Chi-restraints excluded: chain P residue 273 ASP Chi-restraints excluded: chain P residue 280 THR Chi-restraints excluded: chain P residue 281 THR Chi-restraints excluded: chain P residue 284 SER Chi-restraints excluded: chain P residue 288 HIS Chi-restraints excluded: chain P residue 290 MET Chi-restraints excluded: chain P residue 292 LEU Chi-restraints excluded: chain P residue 293 THR Chi-restraints excluded: chain P residue 297 VAL Chi-restraints excluded: chain P residue 299 SER Chi-restraints excluded: chain P residue 307 CYS Chi-restraints excluded: chain P residue 319 THR Chi-restraints excluded: chain P residue 321 PRO Chi-restraints excluded: chain P residue 322 ARG Chi-restraints excluded: chain P residue 323 ARG Chi-restraints excluded: chain P residue 324 LEU Chi-restraints excluded: chain P residue 325 SER Chi-restraints excluded: chain P residue 327 ILE Chi-restraints excluded: chain P residue 331 ILE Chi-restraints excluded: chain P residue 333 ASP Chi-restraints excluded: chain P residue 338 TRP Chi-restraints excluded: chain P residue 339 ASP Chi-restraints excluded: chain P residue 342 LYS Chi-restraints excluded: chain P residue 349 LEU Chi-restraints excluded: chain P residue 351 THR Chi-restraints excluded: chain P residue 352 ILE Chi-restraints excluded: chain P residue 353 ILE Chi-restraints excluded: chain P residue 360 LEU Chi-restraints excluded: chain P residue 367 LYS Chi-restraints excluded: chain P residue 370 ASP Chi-restraints excluded: chain P residue 373 SER Chi-restraints excluded: chain P residue 378 SER Chi-restraints excluded: chain P residue 381 ILE Chi-restraints excluded: chain P residue 383 THR Chi-restraints excluded: chain P residue 384 ILE Chi-restraints excluded: chain P residue 385 LEU Chi-restraints excluded: chain P residue 387 SER Chi-restraints excluded: chain P residue 397 ASP Chi-restraints excluded: chain P residue 398 VAL Chi-restraints excluded: chain P residue 406 HIS Chi-restraints excluded: chain P residue 407 LYS Chi-restraints excluded: chain P residue 408 TYR Chi-restraints excluded: chain P residue 413 LYS Chi-restraints excluded: chain P residue 419 THR Chi-restraints excluded: chain P residue 421 SER Chi-restraints excluded: chain P residue 428 GLU Chi-restraints excluded: chain P residue 431 VAL Chi-restraints excluded: chain P residue 441 ARG Chi-restraints excluded: chain P residue 443 ILE Chi-restraints excluded: chain P residue 447 TYR Chi-restraints excluded: chain P residue 452 THR Chi-restraints excluded: chain P residue 456 ASP Chi-restraints excluded: chain P residue 457 ASP Chi-restraints excluded: chain P residue 463 LEU Chi-restraints excluded: chain P residue 471 ILE Chi-restraints excluded: chain P residue 478 ILE Chi-restraints excluded: chain P residue 479 GLU Chi-restraints excluded: chain P residue 480 HIS Chi-restraints excluded: chain P residue 485 THR Chi-restraints excluded: chain P residue 489 MET Chi-restraints excluded: chain P residue 490 VAL Chi-restraints excluded: chain P residue 494 PHE Chi-restraints excluded: chain P residue 496 PHE Chi-restraints excluded: chain P residue 497 LEU Chi-restraints excluded: chain P residue 499 GLN Chi-restraints excluded: chain P residue 501 ILE Chi-restraints excluded: chain P residue 526 PRO Chi-restraints excluded: chain P residue 528 ILE Chi-restraints excluded: chain P residue 533 PRO Chi-restraints excluded: chain P residue 535 TYR Chi-restraints excluded: chain P residue 536 GLU Chi-restraints excluded: chain P residue 539 VAL Chi-restraints excluded: chain P residue 544 ASP Chi-restraints excluded: chain P residue 549 ILE Chi-restraints excluded: chain P residue 559 THR Chi-restraints excluded: chain P residue 564 ILE Chi-restraints excluded: chain P residue 570 ASP Chi-restraints excluded: chain P residue 573 ILE Chi-restraints excluded: chain P residue 576 GLU Chi-restraints excluded: chain Q residue 11 GLN Chi-restraints excluded: chain Q residue 12 TYR Chi-restraints excluded: chain Q residue 13 LYS Chi-restraints excluded: chain Q residue 15 ILE Chi-restraints excluded: chain Q residue 19 PHE Chi-restraints excluded: chain Q residue 25 ASP Chi-restraints excluded: chain Q residue 26 ASN Chi-restraints excluded: chain Q residue 32 VAL Chi-restraints excluded: chain Q residue 33 GLN Chi-restraints excluded: chain Q residue 34 ASP Chi-restraints excluded: chain Q residue 35 MET Chi-restraints excluded: chain Q residue 38 SER Chi-restraints excluded: chain Q residue 39 ILE Chi-restraints excluded: chain Q residue 41 SER Chi-restraints excluded: chain Q residue 44 GLU Chi-restraints excluded: chain Q residue 50 MET Chi-restraints excluded: chain Q residue 51 SER Chi-restraints excluded: chain Q residue 58 THR Chi-restraints excluded: chain Q residue 65 LEU Chi-restraints excluded: chain Q residue 66 LEU Chi-restraints excluded: chain Q residue 72 MET Chi-restraints excluded: chain Q residue 77 VAL Chi-restraints excluded: chain Q residue 79 GLU Chi-restraints excluded: chain Q residue 80 VAL Chi-restraints excluded: chain Q residue 81 LEU Chi-restraints excluded: chain Q residue 82 ARG Chi-restraints excluded: chain Q residue 83 ILE Chi-restraints excluded: chain Q residue 85 TYR Chi-restraints excluded: chain Q residue 92 ILE Chi-restraints excluded: chain Q residue 94 THR Chi-restraints excluded: chain Q residue 97 ARG Chi-restraints excluded: chain Q residue 100 SER Chi-restraints excluded: chain Q residue 103 THR Chi-restraints excluded: chain Q residue 107 ILE Chi-restraints excluded: chain Q residue 110 ARG Chi-restraints excluded: chain Q residue 122 LYS Chi-restraints excluded: chain Q residue 127 ARG Chi-restraints excluded: chain Q residue 131 TYR Chi-restraints excluded: chain Q residue 135 ARG Chi-restraints excluded: chain Q residue 139 LEU Chi-restraints excluded: chain Q residue 140 GLU Chi-restraints excluded: chain Q residue 141 LEU Chi-restraints excluded: chain Q residue 150 ASP Chi-restraints excluded: chain Q residue 153 LEU Chi-restraints excluded: chain Q residue 157 LYS Chi-restraints excluded: chain Q residue 158 THR Chi-restraints excluded: chain Q residue 160 VAL Chi-restraints excluded: chain Q residue 166 LEU Chi-restraints excluded: chain Q residue 167 SER Chi-restraints excluded: chain Q residue 188 SER Chi-restraints excluded: chain Q residue 191 THR Chi-restraints excluded: chain Q residue 193 LEU Chi-restraints excluded: chain Q residue 204 ASP Chi-restraints excluded: chain Q residue 208 THR Chi-restraints excluded: chain Q residue 221 ILE Chi-restraints excluded: chain Q residue 225 GLN Chi-restraints excluded: chain Q residue 234 SER Chi-restraints excluded: chain Q residue 239 ASN Chi-restraints excluded: chain Q residue 246 ASN Chi-restraints excluded: chain Q residue 249 ASN Chi-restraints excluded: chain Q residue 251 LYS Chi-restraints excluded: chain Q residue 258 LEU Chi-restraints excluded: chain Q residue 262 ILE Chi-restraints excluded: chain Q residue 264 LEU Chi-restraints excluded: chain Q residue 266 THR Chi-restraints excluded: chain Q residue 273 ASP Chi-restraints excluded: chain Q residue 274 PHE Chi-restraints excluded: chain Q residue 279 THR Chi-restraints excluded: chain Q residue 280 THR Chi-restraints excluded: chain Q residue 281 THR Chi-restraints excluded: chain Q residue 284 SER Chi-restraints excluded: chain Q residue 285 LEU Chi-restraints excluded: chain Q residue 288 HIS Chi-restraints excluded: chain Q residue 291 THR Chi-restraints excluded: chain Q residue 292 LEU Chi-restraints excluded: chain Q residue 293 THR Chi-restraints excluded: chain Q residue 305 LEU Chi-restraints excluded: chain Q residue 321 PRO Chi-restraints excluded: chain Q residue 323 ARG Chi-restraints excluded: chain Q residue 324 LEU Chi-restraints excluded: chain Q residue 325 SER Chi-restraints excluded: chain Q residue 326 ILE Chi-restraints excluded: chain Q residue 327 ILE Chi-restraints excluded: chain Q residue 329 GLU Chi-restraints excluded: chain Q residue 331 ILE Chi-restraints excluded: chain Q residue 333 ASP Chi-restraints excluded: chain Q residue 338 TRP Chi-restraints excluded: chain Q residue 339 ASP Chi-restraints excluded: chain Q residue 351 THR Chi-restraints excluded: chain Q residue 352 ILE Chi-restraints excluded: chain Q residue 353 ILE Chi-restraints excluded: chain Q residue 355 SER Chi-restraints excluded: chain Q residue 359 VAL Chi-restraints excluded: chain Q residue 370 ASP Chi-restraints excluded: chain Q residue 371 ARG Chi-restraints excluded: chain Q residue 373 SER Chi-restraints excluded: chain Q residue 381 ILE Chi-restraints excluded: chain Q residue 383 THR Chi-restraints excluded: chain Q residue 384 ILE Chi-restraints excluded: chain Q residue 385 LEU Chi-restraints excluded: chain Q residue 387 SER Chi-restraints excluded: chain Q residue 389 ILE Chi-restraints excluded: chain Q residue 398 VAL Chi-restraints excluded: chain Q residue 400 VAL Chi-restraints excluded: chain Q residue 406 HIS Chi-restraints excluded: chain Q residue 407 LYS Chi-restraints excluded: chain Q residue 408 TYR Chi-restraints excluded: chain Q residue 411 VAL Chi-restraints excluded: chain Q residue 413 LYS Chi-restraints excluded: chain Q residue 414 GLN Chi-restraints excluded: chain Q residue 425 ILE Chi-restraints excluded: chain Q residue 431 VAL Chi-restraints excluded: chain Q residue 443 ILE Chi-restraints excluded: chain Q residue 447 TYR Chi-restraints excluded: chain Q residue 456 ASP Chi-restraints excluded: chain Q residue 457 ASP Chi-restraints excluded: chain Q residue 459 ILE Chi-restraints excluded: chain Q residue 462 TYR Chi-restraints excluded: chain Q residue 463 LEU Chi-restraints excluded: chain Q residue 471 ILE Chi-restraints excluded: chain Q residue 478 ILE Chi-restraints excluded: chain Q residue 480 HIS Chi-restraints excluded: chain Q residue 485 THR Chi-restraints excluded: chain Q residue 487 PHE Chi-restraints excluded: chain Q residue 489 MET Chi-restraints excluded: chain Q residue 492 LEU Chi-restraints excluded: chain Q residue 494 PHE Chi-restraints excluded: chain Q residue 497 LEU Chi-restraints excluded: chain Q residue 499 GLN Chi-restraints excluded: chain Q residue 501 ILE Chi-restraints excluded: chain Q residue 516 ASN Chi-restraints excluded: chain Q residue 524 TYR Chi-restraints excluded: chain Q residue 528 ILE Chi-restraints excluded: chain Q residue 536 GLU Chi-restraints excluded: chain Q residue 539 VAL Chi-restraints excluded: chain Q residue 544 ASP Chi-restraints excluded: chain Q residue 549 ILE Chi-restraints excluded: chain Q residue 559 THR Chi-restraints excluded: chain Q residue 564 ILE Chi-restraints excluded: chain Q residue 576 GLU Chi-restraints excluded: chain Q residue 580 GLN Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 9.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 109 GLN ** C 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 109 GLN ** E 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 345 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 345 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 414 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 414 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 2 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7990 moved from start: 1.7181 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.040 0.326 113878 Z= 2.415 Angle : 2.863 35.682 154904 Z= 1.371 Chirality : 0.115 0.768 19294 Planarity : 0.016 0.129 20033 Dihedral : 16.639 173.425 18232 Min Nonbonded Distance : 1.888 Molprobity Statistics. All-atom Clashscore : 101.01 Ramachandran Plot: Outliers : 1.47 % Allowed : 40.60 % Favored : 57.94 % Rotamer: Outliers : 30.56 % Allowed : 28.12 % Favored : 41.31 % Cbeta Deviations : 0.34 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.21 % Twisted Proline : 7.25 % Twisted General : 5.20 % 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: -7.55 (0.06), residues: 8464 helix: -4.79 (0.04), residues: 4768 sheet: -5.23 (0.11), residues: 528 loop : -5.06 (0.09), residues: 3168 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.049 0.010 TRP N 159 HIS 0.032 0.009 HIS C 343 PHE 0.082 0.010 PHE J 491 TYR 0.072 0.009 TYR M 462 ARG 0.028 0.003 ARG D 82 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 16928 Ramachandran restraints generated. 8464 Oldfield, 0 Emsley, 8464 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 16928 Ramachandran restraints generated. 8464 Oldfield, 0 Emsley, 8464 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3180 residues out of total 8256 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2445 poor density : 735 time to evaluate : 7.703 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 35 MET cc_start: 0.8377 (OUTLIER) cc_final: 0.7951 (pmm) REVERT: A 76 PHE cc_start: 0.9514 (OUTLIER) cc_final: 0.9277 (t80) REVERT: A 101 MET cc_start: 0.8673 (OUTLIER) cc_final: 0.8281 (tpt) REVERT: A 104 ARG cc_start: 0.9133 (OUTLIER) cc_final: 0.8826 (mtm110) REVERT: A 110 ARG cc_start: 0.9461 (OUTLIER) cc_final: 0.9066 (ttm-80) REVERT: A 131 TYR cc_start: 0.9478 (OUTLIER) cc_final: 0.8721 (t80) REVERT: A 157 LYS cc_start: 0.6555 (OUTLIER) cc_final: 0.3853 (pttm) REVERT: A 327 ILE cc_start: 0.9422 (OUTLIER) cc_final: 0.9060 (mt) REVERT: A 430 LYS cc_start: 0.8612 (tttm) cc_final: 0.8327 (mttm) REVERT: A 447 TYR cc_start: 0.7637 (OUTLIER) cc_final: 0.7026 (t80) REVERT: A 476 LYS cc_start: 0.8060 (OUTLIER) cc_final: 0.7738 (mmtm) REVERT: A 496 PHE cc_start: -0.0961 (OUTLIER) cc_final: -0.1217 (m-80) REVERT: A 516 ASN cc_start: 0.6674 (OUTLIER) cc_final: 0.6468 (m-40) REVERT: C 12 TYR cc_start: 0.9325 (OUTLIER) cc_final: 0.8170 (t80) REVERT: C 33 GLN cc_start: 0.7649 (OUTLIER) cc_final: 0.6226 (pp30) REVERT: C 65 LEU cc_start: 0.9171 (OUTLIER) cc_final: 0.8685 (tp) REVERT: C 110 ARG cc_start: 0.9453 (OUTLIER) cc_final: 0.8461 (ttm-80) REVERT: C 169 LYS cc_start: 0.9354 (OUTLIER) cc_final: 0.8993 (ttmm) REVERT: C 181 LEU cc_start: 0.9493 (OUTLIER) cc_final: 0.9175 (mp) REVERT: C 249 ASN cc_start: 0.9136 (OUTLIER) cc_final: 0.8887 (p0) REVERT: C 364 GLU cc_start: 0.8618 (tt0) cc_final: 0.8009 (tp30) REVERT: C 371 ARG cc_start: 0.7429 (OUTLIER) cc_final: 0.6175 (mmm160) REVERT: C 430 LYS cc_start: 0.8743 (tttm) cc_final: 0.8323 (tptm) REVERT: C 462 TYR cc_start: 0.6354 (OUTLIER) cc_final: 0.4905 (m-10) REVERT: C 480 HIS cc_start: 0.8188 (OUTLIER) cc_final: 0.7857 (p-80) REVERT: C 487 PHE cc_start: 0.7693 (t80) cc_final: 0.7398 (t80) REVERT: C 496 PHE cc_start: 0.0208 (OUTLIER) cc_final: -0.0076 (m-80) REVERT: C 524 TYR cc_start: 0.8402 (OUTLIER) cc_final: 0.7975 (m-80) REVERT: C 580 GLN cc_start: 0.7917 (OUTLIER) cc_final: 0.7293 (mm-40) REVERT: D 35 MET cc_start: 0.8250 (OUTLIER) cc_final: 0.7935 (pmm) REVERT: D 101 MET cc_start: 0.8728 (OUTLIER) cc_final: 0.8304 (tpt) REVERT: D 104 ARG cc_start: 0.9132 (OUTLIER) cc_final: 0.8840 (mtm110) REVERT: D 110 ARG cc_start: 0.9460 (OUTLIER) cc_final: 0.9016 (ttm-80) REVERT: D 131 TYR cc_start: 0.9478 (OUTLIER) cc_final: 0.8697 (t80) REVERT: D 267 ARG cc_start: 0.9079 (OUTLIER) cc_final: 0.8452 (ttt180) REVERT: D 327 ILE cc_start: 0.9480 (OUTLIER) cc_final: 0.9099 (mt) REVERT: D 447 TYR cc_start: 0.7566 (OUTLIER) cc_final: 0.6936 (t80) REVERT: D 476 LYS cc_start: 0.8072 (OUTLIER) cc_final: 0.7747 (mmtm) REVERT: D 496 PHE cc_start: -0.0942 (OUTLIER) cc_final: -0.1205 (m-80) REVERT: D 516 ASN cc_start: 0.6725 (OUTLIER) cc_final: 0.6519 (m-40) REVERT: E 12 TYR cc_start: 0.9321 (OUTLIER) cc_final: 0.8261 (t80) REVERT: E 33 GLN cc_start: 0.8103 (OUTLIER) cc_final: 0.7196 (pt0) REVERT: E 65 LEU cc_start: 0.9163 (OUTLIER) cc_final: 0.8672 (tp) REVERT: E 110 ARG cc_start: 0.9454 (OUTLIER) cc_final: 0.8440 (ttm-80) REVERT: E 135 ARG cc_start: 0.9445 (OUTLIER) cc_final: 0.8414 (ttm-80) REVERT: E 169 LYS cc_start: 0.9358 (OUTLIER) cc_final: 0.8994 (ttmm) REVERT: E 181 LEU cc_start: 0.9486 (OUTLIER) cc_final: 0.9212 (mp) REVERT: E 371 ARG cc_start: 0.7464 (OUTLIER) cc_final: 0.6925 (mmm160) REVERT: E 480 HIS cc_start: 0.8224 (OUTLIER) cc_final: 0.7867 (p-80) REVERT: E 487 PHE cc_start: 0.8026 (OUTLIER) cc_final: 0.7740 (t80) REVERT: E 494 PHE cc_start: 0.6135 (OUTLIER) cc_final: 0.5253 (m-10) REVERT: E 496 PHE cc_start: 0.0419 (OUTLIER) cc_final: 0.0081 (m-80) REVERT: E 580 GLN cc_start: 0.8020 (OUTLIER) cc_final: 0.7490 (mm-40) REVERT: F 35 MET cc_start: 0.8436 (OUTLIER) cc_final: 0.8089 (pmm) REVERT: F 74 GLN cc_start: 0.9465 (OUTLIER) cc_final: 0.9176 (tp40) REVERT: F 101 MET cc_start: 0.8724 (OUTLIER) cc_final: 0.8322 (tpt) REVERT: F 104 ARG cc_start: 0.9142 (OUTLIER) cc_final: 0.8846 (mtm110) REVERT: F 110 ARG cc_start: 0.9462 (OUTLIER) cc_final: 0.9049 (ttm-80) REVERT: F 127 ARG cc_start: 0.9340 (OUTLIER) cc_final: 0.8402 (mtp180) REVERT: F 131 TYR cc_start: 0.9475 (OUTLIER) cc_final: 0.8693 (t80) REVERT: F 249 ASN cc_start: 0.9047 (OUTLIER) cc_final: 0.8804 (p0) REVERT: F 267 ARG cc_start: 0.9087 (OUTLIER) cc_final: 0.8442 (ttt180) REVERT: F 322 ARG cc_start: 0.9165 (OUTLIER) cc_final: 0.8431 (tpt170) REVERT: F 327 ILE cc_start: 0.9481 (OUTLIER) cc_final: 0.9077 (mt) REVERT: F 447 TYR cc_start: 0.7660 (OUTLIER) cc_final: 0.7043 (t80) REVERT: F 476 LYS cc_start: 0.8065 (OUTLIER) cc_final: 0.7676 (mmtm) REVERT: F 496 PHE cc_start: -0.0935 (OUTLIER) cc_final: -0.1187 (m-80) REVERT: F 516 ASN cc_start: 0.6724 (OUTLIER) cc_final: 0.6523 (m-40) REVERT: G 12 TYR cc_start: 0.9326 (OUTLIER) cc_final: 0.8180 (t80) REVERT: G 33 GLN cc_start: 0.8093 (OUTLIER) cc_final: 0.7468 (pt0) REVERT: G 65 LEU cc_start: 0.9177 (OUTLIER) cc_final: 0.8692 (tp) REVERT: G 110 ARG cc_start: 0.9432 (OUTLIER) cc_final: 0.8410 (ttm-80) REVERT: G 135 ARG cc_start: 0.9444 (OUTLIER) cc_final: 0.8376 (ttm-80) REVERT: G 239 ASN cc_start: 0.9037 (OUTLIER) cc_final: 0.8691 (p0) REVERT: G 371 ARG cc_start: 0.7465 (OUTLIER) cc_final: 0.6922 (mmm160) REVERT: G 430 LYS cc_start: 0.8832 (tttm) cc_final: 0.8480 (tptm) REVERT: G 480 HIS cc_start: 0.8245 (OUTLIER) cc_final: 0.7881 (p-80) REVERT: G 487 PHE cc_start: 0.7945 (OUTLIER) cc_final: 0.7561 (t80) REVERT: G 494 PHE cc_start: 0.6162 (OUTLIER) cc_final: 0.5304 (m-10) REVERT: G 496 PHE cc_start: 0.0425 (OUTLIER) cc_final: 0.0091 (m-80) REVERT: G 524 TYR cc_start: 0.8343 (OUTLIER) cc_final: 0.8035 (m-10) REVERT: G 535 TYR cc_start: 0.8504 (OUTLIER) cc_final: 0.8287 (t80) REVERT: G 580 GLN cc_start: 0.8026 (OUTLIER) cc_final: 0.7491 (mm-40) REVERT: H 12 TYR cc_start: 0.9249 (OUTLIER) cc_final: 0.7895 (t80) REVERT: H 20 GLU cc_start: 0.9054 (OUTLIER) cc_final: 0.8258 (pp20) REVERT: H 35 MET cc_start: 0.8516 (OUTLIER) cc_final: 0.8121 (pmm) REVERT: H 76 PHE cc_start: 0.9477 (OUTLIER) cc_final: 0.9238 (t80) REVERT: H 101 MET cc_start: 0.8712 (OUTLIER) cc_final: 0.8304 (tpt) REVERT: H 104 ARG cc_start: 0.9136 (OUTLIER) cc_final: 0.8841 (mtm110) REVERT: H 110 ARG cc_start: 0.9458 (OUTLIER) cc_final: 0.9069 (ttm-80) REVERT: H 127 ARG cc_start: 0.9349 (OUTLIER) cc_final: 0.8393 (mtp180) REVERT: H 131 TYR cc_start: 0.9482 (OUTLIER) cc_final: 0.8706 (t80) REVERT: H 133 LYS cc_start: 0.9117 (OUTLIER) cc_final: 0.8698 (tptt) REVERT: H 249 ASN cc_start: 0.9059 (OUTLIER) cc_final: 0.8820 (p0) REVERT: H 267 ARG cc_start: 0.9092 (OUTLIER) cc_final: 0.8442 (ttt180) REVERT: H 327 ILE cc_start: 0.9485 (OUTLIER) cc_final: 0.9082 (mt) REVERT: H 430 LYS cc_start: 0.8681 (tmtt) cc_final: 0.8480 (tmtt) REVERT: H 447 TYR cc_start: 0.7668 (OUTLIER) cc_final: 0.7019 (t80) REVERT: H 496 PHE cc_start: -0.0928 (OUTLIER) cc_final: -0.1194 (m-80) REVERT: H 516 ASN cc_start: 0.6735 (OUTLIER) cc_final: 0.6521 (m-40) REVERT: I 12 TYR cc_start: 0.9309 (OUTLIER) cc_final: 0.8179 (t80) REVERT: I 33 GLN cc_start: 0.8108 (OUTLIER) cc_final: 0.7228 (pt0) REVERT: I 65 LEU cc_start: 0.9166 (OUTLIER) cc_final: 0.8663 (tp) REVERT: I 110 ARG cc_start: 0.9461 (OUTLIER) cc_final: 0.8462 (ttm-80) REVERT: I 135 ARG cc_start: 0.9441 (OUTLIER) cc_final: 0.8441 (ttm-80) REVERT: I 169 LYS cc_start: 0.9357 (OUTLIER) cc_final: 0.9016 (ttmm) REVERT: I 181 LEU cc_start: 0.9498 (OUTLIER) cc_final: 0.9188 (mp) REVERT: I 249 ASN cc_start: 0.9154 (OUTLIER) cc_final: 0.8912 (p0) REVERT: I 371 ARG cc_start: 0.7495 (OUTLIER) cc_final: 0.6949 (mmm160) REVERT: I 480 HIS cc_start: 0.8231 (OUTLIER) cc_final: 0.7880 (p-80) REVERT: I 487 PHE cc_start: 0.7981 (OUTLIER) cc_final: 0.7672 (t80) REVERT: I 494 PHE cc_start: 0.6154 (OUTLIER) cc_final: 0.5277 (m-10) REVERT: I 496 PHE cc_start: 0.0572 (OUTLIER) cc_final: 0.0230 (m-80) REVERT: I 580 GLN cc_start: 0.8104 (OUTLIER) cc_final: 0.7582 (mm-40) REVERT: J 35 MET cc_start: 0.8451 (OUTLIER) cc_final: 0.8153 (pmm) REVERT: J 101 MET cc_start: 0.8708 (OUTLIER) cc_final: 0.8303 (tpt) REVERT: J 104 ARG cc_start: 0.9134 (OUTLIER) cc_final: 0.8861 (mtm110) REVERT: J 110 ARG cc_start: 0.9470 (OUTLIER) cc_final: 0.9037 (ttm-80) REVERT: J 127 ARG cc_start: 0.9336 (OUTLIER) cc_final: 0.8762 (mtp180) REVERT: J 131 TYR cc_start: 0.9486 (OUTLIER) cc_final: 0.8697 (t80) REVERT: J 133 LYS cc_start: 0.9116 (OUTLIER) cc_final: 0.8712 (tptt) REVERT: J 251 LYS cc_start: 0.9380 (OUTLIER) cc_final: 0.9054 (ttmt) REVERT: J 267 ARG cc_start: 0.9070 (OUTLIER) cc_final: 0.8411 (ttt180) REVERT: J 327 ILE cc_start: 0.9478 (OUTLIER) cc_final: 0.9077 (mt) REVERT: J 446 HIS cc_start: 0.9253 (OUTLIER) cc_final: 0.9032 (m90) REVERT: J 447 TYR cc_start: 0.7647 (OUTLIER) cc_final: 0.6965 (t80) REVERT: J 476 LYS cc_start: 0.8185 (OUTLIER) cc_final: 0.7816 (mmtm) REVERT: J 496 PHE cc_start: -0.0872 (OUTLIER) cc_final: -0.1154 (m-80) REVERT: J 522 LYS cc_start: 0.8856 (OUTLIER) cc_final: 0.8564 (mmmt) REVERT: K 12 TYR cc_start: 0.9325 (OUTLIER) cc_final: 0.8272 (t80) REVERT: K 33 GLN cc_start: 0.8092 (OUTLIER) cc_final: 0.7164 (pt0) REVERT: K 56 SER cc_start: 0.9603 (OUTLIER) cc_final: 0.9370 (t) REVERT: K 65 LEU cc_start: 0.9153 (OUTLIER) cc_final: 0.8677 (tp) REVERT: K 85 TYR cc_start: 0.9130 (OUTLIER) cc_final: 0.8633 (m-80) REVERT: K 110 ARG cc_start: 0.9451 (OUTLIER) cc_final: 0.8426 (ttm-80) REVERT: K 135 ARG cc_start: 0.9450 (OUTLIER) cc_final: 0.8434 (ttm-80) REVERT: K 169 LYS cc_start: 0.9357 (OUTLIER) cc_final: 0.8988 (ttmm) REVERT: K 181 LEU cc_start: 0.9480 (OUTLIER) cc_final: 0.9188 (mp) REVERT: K 364 GLU cc_start: 0.8495 (tt0) cc_final: 0.7872 (tp30) REVERT: K 371 ARG cc_start: 0.7463 (OUTLIER) cc_final: 0.6921 (mmm160) REVERT: K 480 HIS cc_start: 0.8233 (OUTLIER) cc_final: 0.7861 (p-80) REVERT: K 487 PHE cc_start: 0.8088 (OUTLIER) cc_final: 0.7688 (t80) REVERT: K 494 PHE cc_start: 0.6129 (OUTLIER) cc_final: 0.5249 (m-10) REVERT: K 496 PHE cc_start: 0.0581 (OUTLIER) cc_final: 0.0230 (m-80) REVERT: K 535 TYR cc_start: 0.8525 (OUTLIER) cc_final: 0.8301 (t80) REVERT: K 580 GLN cc_start: 0.8029 (OUTLIER) cc_final: 0.7575 (mm-40) REVERT: L 12 TYR cc_start: 0.9233 (OUTLIER) cc_final: 0.7792 (t80) REVERT: L 20 GLU cc_start: 0.9094 (OUTLIER) cc_final: 0.8479 (pm20) REVERT: L 101 MET cc_start: 0.8701 (OUTLIER) cc_final: 0.8278 (tpt) REVERT: L 104 ARG cc_start: 0.9148 (OUTLIER) cc_final: 0.8878 (mtm110) REVERT: L 110 ARG cc_start: 0.9475 (OUTLIER) cc_final: 0.9061 (ttm-80) REVERT: L 127 ARG cc_start: 0.9343 (OUTLIER) cc_final: 0.8736 (mtp180) REVERT: L 131 TYR cc_start: 0.9489 (OUTLIER) cc_final: 0.8700 (t80) REVERT: L 133 LYS cc_start: 0.9093 (OUTLIER) cc_final: 0.8709 (tptt) REVERT: L 267 ARG cc_start: 0.9103 (OUTLIER) cc_final: 0.8547 (ttt180) REVERT: L 327 ILE cc_start: 0.9473 (OUTLIER) cc_final: 0.9067 (mt) REVERT: L 430 LYS cc_start: 0.8683 (tmtt) cc_final: 0.8472 (tmtt) REVERT: L 447 TYR cc_start: 0.7648 (OUTLIER) cc_final: 0.7035 (t80) REVERT: L 496 PHE cc_start: -0.0924 (OUTLIER) cc_final: -0.1201 (m-80) REVERT: M 33 GLN cc_start: 0.8096 (OUTLIER) cc_final: 0.7144 (pt0) REVERT: M 56 SER cc_start: 0.9619 (OUTLIER) cc_final: 0.9360 (t) REVERT: M 65 LEU cc_start: 0.9167 (OUTLIER) cc_final: 0.8659 (tp) REVERT: M 85 TYR cc_start: 0.9120 (OUTLIER) cc_final: 0.8665 (m-80) REVERT: M 110 ARG cc_start: 0.9463 (OUTLIER) cc_final: 0.8472 (ttm-80) REVERT: M 181 LEU cc_start: 0.9481 (OUTLIER) cc_final: 0.9191 (mp) REVERT: M 239 ASN cc_start: 0.9127 (OUTLIER) cc_final: 0.8808 (p0) REVERT: M 371 ARG cc_start: 0.7550 (OUTLIER) cc_final: 0.6314 (mmm160) REVERT: M 397 ASP cc_start: 0.5873 (OUTLIER) cc_final: 0.5616 (t0) REVERT: M 480 HIS cc_start: 0.8251 (OUTLIER) cc_final: 0.7910 (p-80) REVERT: M 494 PHE cc_start: 0.6130 (OUTLIER) cc_final: 0.5337 (m-10) REVERT: M 496 PHE cc_start: 0.0572 (OUTLIER) cc_final: 0.0232 (m-80) REVERT: M 524 TYR cc_start: 0.8298 (OUTLIER) cc_final: 0.7937 (m-80) REVERT: M 535 TYR cc_start: 0.8512 (OUTLIER) cc_final: 0.8296 (t80) REVERT: M 580 GLN cc_start: 0.8035 (OUTLIER) cc_final: 0.7583 (mm-40) REVERT: N 35 MET cc_start: 0.8429 (OUTLIER) cc_final: 0.8048 (pmm) REVERT: N 101 MET cc_start: 0.8712 (OUTLIER) cc_final: 0.8318 (tpt) REVERT: N 104 ARG cc_start: 0.9143 (OUTLIER) cc_final: 0.8859 (mtm110) REVERT: N 110 ARG cc_start: 0.9464 (OUTLIER) cc_final: 0.9063 (ttm-80) REVERT: N 131 TYR cc_start: 0.9484 (OUTLIER) cc_final: 0.8712 (t80) REVERT: N 133 LYS cc_start: 0.9111 (OUTLIER) cc_final: 0.8782 (tptt) REVERT: N 249 ASN cc_start: 0.9104 (OUTLIER) cc_final: 0.8802 (p0) REVERT: N 267 ARG cc_start: 0.9188 (OUTLIER) cc_final: 0.8679 (ttt180) REVERT: N 327 ILE cc_start: 0.9472 (OUTLIER) cc_final: 0.9094 (mt) REVERT: N 447 TYR cc_start: 0.7564 (OUTLIER) cc_final: 0.6938 (t80) REVERT: N 496 PHE cc_start: -0.0948 (OUTLIER) cc_final: -0.1209 (m-80) REVERT: O 33 GLN cc_start: 0.8090 (OUTLIER) cc_final: 0.7112 (pt0) REVERT: O 56 SER cc_start: 0.9617 (OUTLIER) cc_final: 0.9363 (t) REVERT: O 65 LEU cc_start: 0.9163 (OUTLIER) cc_final: 0.8642 (tp) REVERT: O 85 TYR cc_start: 0.9116 (OUTLIER) cc_final: 0.8643 (m-80) REVERT: O 87 PHE cc_start: 0.5264 (OUTLIER) cc_final: 0.4919 (m-80) REVERT: O 110 ARG cc_start: 0.9458 (OUTLIER) cc_final: 0.8455 (ttm-80) REVERT: O 135 ARG cc_start: 0.9462 (OUTLIER) cc_final: 0.8449 (ttm-80) REVERT: O 169 LYS cc_start: 0.9356 (OUTLIER) cc_final: 0.9012 (ttmm) REVERT: O 181 LEU cc_start: 0.9501 (OUTLIER) cc_final: 0.9205 (mp) REVERT: O 364 GLU cc_start: 0.8547 (tt0) cc_final: 0.7947 (tp30) REVERT: O 371 ARG cc_start: 0.7360 (OUTLIER) cc_final: 0.6181 (mmm160) REVERT: O 430 LYS cc_start: 0.8703 (tttm) cc_final: 0.8397 (tttm) REVERT: O 480 HIS cc_start: 0.8243 (OUTLIER) cc_final: 0.7878 (p-80) REVERT: O 487 PHE cc_start: 0.7950 (OUTLIER) cc_final: 0.7536 (t80) REVERT: O 494 PHE cc_start: 0.6160 (OUTLIER) cc_final: 0.5307 (m-10) REVERT: O 496 PHE cc_start: 0.0419 (OUTLIER) cc_final: 0.0096 (m-80) REVERT: O 524 TYR cc_start: 0.8337 (OUTLIER) cc_final: 0.8008 (m-10) REVERT: O 535 TYR cc_start: 0.8493 (OUTLIER) cc_final: 0.8278 (t80) REVERT: O 580 GLN cc_start: 0.8030 (OUTLIER) cc_final: 0.7494 (mm-40) REVERT: P 101 MET cc_start: 0.8728 (OUTLIER) cc_final: 0.8294 (tpt) REVERT: P 104 ARG cc_start: 0.9112 (OUTLIER) cc_final: 0.8773 (mtm110) REVERT: P 110 ARG cc_start: 0.9471 (OUTLIER) cc_final: 0.9051 (ttm-80) REVERT: P 131 TYR cc_start: 0.9482 (OUTLIER) cc_final: 0.8703 (t80) REVERT: P 133 LYS cc_start: 0.9126 (OUTLIER) cc_final: 0.8766 (tptt) REVERT: P 267 ARG cc_start: 0.9184 (OUTLIER) cc_final: 0.8691 (ttt180) REVERT: P 327 ILE cc_start: 0.9481 (OUTLIER) cc_final: 0.9090 (mt) REVERT: P 430 LYS cc_start: 0.8710 (tmtt) cc_final: 0.8504 (tmtt) REVERT: P 447 TYR cc_start: 0.7570 (OUTLIER) cc_final: 0.6940 (t80) REVERT: P 496 PHE cc_start: -0.0945 (OUTLIER) cc_final: -0.1200 (m-80) REVERT: Q 12 TYR cc_start: 0.9334 (OUTLIER) cc_final: 0.8192 (t80) REVERT: Q 33 GLN cc_start: 0.8088 (OUTLIER) cc_final: 0.7131 (pt0) REVERT: Q 56 SER cc_start: 0.9599 (OUTLIER) cc_final: 0.9392 (t) REVERT: Q 65 LEU cc_start: 0.9153 (OUTLIER) cc_final: 0.8665 (tp) REVERT: Q 85 TYR cc_start: 0.9117 (OUTLIER) cc_final: 0.8675 (m-80) REVERT: Q 110 ARG cc_start: 0.9460 (OUTLIER) cc_final: 0.8459 (ttm-80) REVERT: Q 135 ARG cc_start: 0.9436 (OUTLIER) cc_final: 0.8445 (ttm-80) REVERT: Q 181 LEU cc_start: 0.9482 (OUTLIER) cc_final: 0.9206 (mp) REVERT: Q 239 ASN cc_start: 0.9028 (OUTLIER) cc_final: 0.8707 (p0) REVERT: Q 249 ASN cc_start: 0.9122 (OUTLIER) cc_final: 0.8918 (p0) REVERT: Q 364 GLU cc_start: 0.8643 (tt0) cc_final: 0.8023 (tp30) REVERT: Q 371 ARG cc_start: 0.7427 (OUTLIER) cc_final: 0.6849 (mmm160) REVERT: Q 479 GLU cc_start: 0.5457 (OUTLIER) cc_final: 0.5099 (tt0) REVERT: Q 480 HIS cc_start: 0.8229 (OUTLIER) cc_final: 0.7854 (p-80) REVERT: Q 487 PHE cc_start: 0.7887 (OUTLIER) cc_final: 0.7455 (t80) REVERT: Q 494 PHE cc_start: 0.6264 (OUTLIER) cc_final: 0.5440 (m-10) REVERT: Q 580 GLN cc_start: 0.8014 (OUTLIER) cc_final: 0.7568 (mm110) outliers start: 2445 outliers final: 2045 residues processed: 2980 average time/residue: 0.9162 time to fit residues: 4764.6512 Evaluate side-chains 2983 residues out of total 8256 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2264 poor density : 719 time to evaluate : 7.526 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 12 TYR Chi-restraints excluded: chain A residue 13 LYS Chi-restraints excluded: chain A residue 19 PHE Chi-restraints excluded: chain A residue 25 ASP Chi-restraints excluded: chain A residue 33 GLN Chi-restraints excluded: chain A residue 34 ASP Chi-restraints excluded: chain A residue 35 MET Chi-restraints excluded: chain A residue 38 SER Chi-restraints excluded: chain A residue 40 LEU Chi-restraints excluded: chain A residue 41 SER Chi-restraints excluded: chain A residue 44 GLU Chi-restraints excluded: chain A residue 46 ASP Chi-restraints excluded: chain A residue 51 SER Chi-restraints excluded: chain A residue 58 THR Chi-restraints excluded: chain A residue 76 PHE Chi-restraints excluded: chain A residue 77 VAL Chi-restraints excluded: chain A residue 80 VAL Chi-restraints excluded: chain A residue 82 ARG Chi-restraints excluded: chain A residue 92 ILE Chi-restraints excluded: chain A residue 93 LYS Chi-restraints excluded: chain A residue 100 SER Chi-restraints excluded: chain A residue 101 MET Chi-restraints excluded: chain A residue 104 ARG Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 110 ARG Chi-restraints excluded: chain A residue 116 ASP Chi-restraints excluded: chain A residue 124 ASN Chi-restraints excluded: chain A residue 126 SER Chi-restraints excluded: chain A residue 131 TYR Chi-restraints excluded: chain A residue 135 ARG Chi-restraints excluded: chain A residue 141 LEU Chi-restraints excluded: chain A residue 157 LYS Chi-restraints excluded: chain A residue 158 THR Chi-restraints excluded: chain A residue 162 LEU Chi-restraints excluded: chain A residue 164 VAL Chi-restraints excluded: chain A residue 166 LEU Chi-restraints excluded: chain A residue 167 SER Chi-restraints excluded: chain A residue 173 LYS Chi-restraints excluded: chain A residue 177 LYS Chi-restraints excluded: chain A residue 179 PHE Chi-restraints excluded: chain A residue 188 SER Chi-restraints excluded: chain A residue 193 LEU Chi-restraints excluded: chain A residue 199 LEU Chi-restraints excluded: chain A residue 203 ILE Chi-restraints excluded: chain A residue 204 ASP Chi-restraints excluded: chain A residue 208 THR Chi-restraints excluded: chain A residue 210 ARG Chi-restraints excluded: chain A residue 211 SER Chi-restraints excluded: chain A residue 217 ILE Chi-restraints excluded: chain A residue 218 LYS Chi-restraints excluded: chain A residue 219 LEU Chi-restraints excluded: chain A residue 221 ILE Chi-restraints excluded: chain A residue 230 ARG Chi-restraints excluded: chain A residue 239 ASN Chi-restraints excluded: chain A residue 242 LEU Chi-restraints excluded: chain A residue 247 VAL Chi-restraints excluded: chain A residue 249 ASN Chi-restraints excluded: chain A residue 254 ASN Chi-restraints excluded: chain A residue 256 PHE Chi-restraints excluded: chain A residue 258 LEU Chi-restraints excluded: chain A residue 266 THR Chi-restraints excluded: chain A residue 271 VAL Chi-restraints excluded: chain A residue 273 ASP Chi-restraints excluded: chain A residue 279 THR Chi-restraints excluded: chain A residue 280 THR Chi-restraints excluded: chain A residue 281 THR Chi-restraints excluded: chain A residue 285 LEU Chi-restraints excluded: chain A residue 288 HIS Chi-restraints excluded: chain A residue 290 MET Chi-restraints excluded: chain A residue 292 LEU Chi-restraints excluded: chain A residue 293 THR Chi-restraints excluded: chain A residue 297 VAL Chi-restraints excluded: chain A residue 307 CYS Chi-restraints excluded: chain A residue 319 THR Chi-restraints excluded: chain A residue 321 PRO Chi-restraints excluded: chain A residue 322 ARG Chi-restraints excluded: chain A residue 323 ARG Chi-restraints excluded: chain A residue 327 ILE Chi-restraints excluded: chain A residue 331 ILE Chi-restraints excluded: chain A residue 333 ASP Chi-restraints excluded: chain A residue 338 TRP Chi-restraints excluded: chain A residue 339 ASP Chi-restraints excluded: chain A residue 342 LYS Chi-restraints excluded: chain A residue 349 LEU Chi-restraints excluded: chain A residue 351 THR Chi-restraints excluded: chain A residue 352 ILE Chi-restraints excluded: chain A residue 353 ILE Chi-restraints excluded: chain A residue 359 VAL Chi-restraints excluded: chain A residue 367 LYS Chi-restraints excluded: chain A residue 370 ASP Chi-restraints excluded: chain A residue 373 SER Chi-restraints excluded: chain A residue 378 SER Chi-restraints excluded: chain A residue 381 ILE Chi-restraints excluded: chain A residue 383 THR Chi-restraints excluded: chain A residue 384 ILE Chi-restraints excluded: chain A residue 385 LEU Chi-restraints excluded: chain A residue 387 SER Chi-restraints excluded: chain A residue 397 ASP Chi-restraints excluded: chain A residue 398 VAL Chi-restraints excluded: chain A residue 406 HIS Chi-restraints excluded: chain A residue 407 LYS Chi-restraints excluded: chain A residue 408 TYR Chi-restraints excluded: chain A residue 413 LYS Chi-restraints excluded: chain A residue 419 THR Chi-restraints excluded: chain A residue 421 SER Chi-restraints excluded: chain A residue 428 GLU Chi-restraints excluded: chain A residue 447 TYR Chi-restraints excluded: chain A residue 451 LYS Chi-restraints excluded: chain A residue 452 THR Chi-restraints excluded: chain A residue 456 ASP Chi-restraints excluded: chain A residue 457 ASP Chi-restraints excluded: chain A residue 471 ILE Chi-restraints excluded: chain A residue 476 LYS Chi-restraints excluded: chain A residue 478 ILE Chi-restraints excluded: chain A residue 485 THR Chi-restraints excluded: chain A residue 490 VAL Chi-restraints excluded: chain A residue 494 PHE Chi-restraints excluded: chain A residue 496 PHE Chi-restraints excluded: chain A residue 497 LEU Chi-restraints excluded: chain A residue 499 GLN Chi-restraints excluded: chain A residue 501 ILE Chi-restraints excluded: chain A residue 516 ASN Chi-restraints excluded: chain A residue 528 ILE Chi-restraints excluded: chain A residue 533 PRO Chi-restraints excluded: chain A residue 535 TYR Chi-restraints excluded: chain A residue 536 GLU Chi-restraints excluded: chain A residue 539 VAL Chi-restraints excluded: chain A residue 544 ASP Chi-restraints excluded: chain A residue 549 ILE Chi-restraints excluded: chain A residue 559 THR Chi-restraints excluded: chain A residue 564 ILE Chi-restraints excluded: chain A residue 570 ASP Chi-restraints excluded: chain A residue 573 ILE Chi-restraints excluded: chain A residue 576 GLU Chi-restraints excluded: chain C residue 11 GLN Chi-restraints excluded: chain C residue 12 TYR Chi-restraints excluded: chain C residue 13 LYS Chi-restraints excluded: chain C residue 15 ILE Chi-restraints excluded: chain C residue 19 PHE Chi-restraints excluded: chain C residue 25 ASP Chi-restraints excluded: chain C residue 32 VAL Chi-restraints excluded: chain C residue 33 GLN Chi-restraints excluded: chain C residue 38 SER Chi-restraints excluded: chain C residue 39 ILE Chi-restraints excluded: chain C residue 41 SER Chi-restraints excluded: chain C residue 44 GLU Chi-restraints excluded: chain C residue 50 MET Chi-restraints excluded: chain C residue 51 SER Chi-restraints excluded: chain C residue 58 THR Chi-restraints excluded: chain C residue 65 LEU Chi-restraints excluded: chain C residue 66 LEU Chi-restraints excluded: chain C residue 77 VAL Chi-restraints excluded: chain C residue 80 VAL Chi-restraints excluded: chain C residue 81 LEU Chi-restraints excluded: chain C residue 82 ARG Chi-restraints excluded: chain C residue 83 ILE Chi-restraints excluded: chain C residue 85 TYR Chi-restraints excluded: chain C residue 92 ILE Chi-restraints excluded: chain C residue 94 THR Chi-restraints excluded: chain C residue 97 ARG Chi-restraints excluded: chain C residue 100 SER Chi-restraints excluded: chain C residue 103 THR Chi-restraints excluded: chain C residue 107 ILE Chi-restraints excluded: chain C residue 110 ARG Chi-restraints excluded: chain C residue 122 LYS Chi-restraints excluded: chain C residue 127 ARG Chi-restraints excluded: chain C residue 131 TYR Chi-restraints excluded: chain C residue 135 ARG Chi-restraints excluded: chain C residue 139 LEU Chi-restraints excluded: chain C residue 140 GLU Chi-restraints excluded: chain C residue 141 LEU Chi-restraints excluded: chain C residue 150 ASP Chi-restraints excluded: chain C residue 153 LEU Chi-restraints excluded: chain C residue 157 LYS Chi-restraints excluded: chain C residue 158 THR Chi-restraints excluded: chain C residue 160 VAL Chi-restraints excluded: chain C residue 166 LEU Chi-restraints excluded: chain C residue 167 SER Chi-restraints excluded: chain C residue 169 LYS Chi-restraints excluded: chain C residue 181 LEU Chi-restraints excluded: chain C residue 188 SER Chi-restraints excluded: chain C residue 191 THR Chi-restraints excluded: chain C residue 193 LEU Chi-restraints excluded: chain C residue 204 ASP Chi-restraints excluded: chain C residue 208 THR Chi-restraints excluded: chain C residue 221 ILE Chi-restraints excluded: chain C residue 225 GLN Chi-restraints excluded: chain C residue 230 ARG Chi-restraints excluded: chain C residue 234 SER Chi-restraints excluded: chain C residue 239 ASN Chi-restraints excluded: chain C residue 246 ASN Chi-restraints excluded: chain C residue 249 ASN Chi-restraints excluded: chain C residue 251 LYS Chi-restraints excluded: chain C residue 258 LEU Chi-restraints excluded: chain C residue 262 ILE Chi-restraints excluded: chain C residue 266 THR Chi-restraints excluded: chain C residue 273 ASP Chi-restraints excluded: chain C residue 274 PHE Chi-restraints excluded: chain C residue 279 THR Chi-restraints excluded: chain C residue 280 THR Chi-restraints excluded: chain C residue 281 THR Chi-restraints excluded: chain C residue 284 SER Chi-restraints excluded: chain C residue 285 LEU Chi-restraints excluded: chain C residue 288 HIS Chi-restraints excluded: chain C residue 291 THR Chi-restraints excluded: chain C residue 292 LEU Chi-restraints excluded: chain C residue 293 THR Chi-restraints excluded: chain C residue 305 LEU Chi-restraints excluded: chain C residue 321 PRO Chi-restraints excluded: chain C residue 324 LEU Chi-restraints excluded: chain C residue 325 SER Chi-restraints excluded: chain C residue 326 ILE Chi-restraints excluded: chain C residue 327 ILE Chi-restraints excluded: chain C residue 329 GLU Chi-restraints excluded: chain C residue 331 ILE Chi-restraints excluded: chain C residue 333 ASP Chi-restraints excluded: chain C residue 338 TRP Chi-restraints excluded: chain C residue 339 ASP Chi-restraints excluded: chain C residue 342 LYS Chi-restraints excluded: chain C residue 343 HIS Chi-restraints excluded: chain C residue 351 THR Chi-restraints excluded: chain C residue 352 ILE Chi-restraints excluded: chain C residue 353 ILE Chi-restraints excluded: chain C residue 359 VAL Chi-restraints excluded: chain C residue 367 LYS Chi-restraints excluded: chain C residue 370 ASP Chi-restraints excluded: chain C residue 371 ARG Chi-restraints excluded: chain C residue 373 SER Chi-restraints excluded: chain C residue 381 ILE Chi-restraints excluded: chain C residue 383 THR Chi-restraints excluded: chain C residue 384 ILE Chi-restraints excluded: chain C residue 385 LEU Chi-restraints excluded: chain C residue 387 SER Chi-restraints excluded: chain C residue 389 ILE Chi-restraints excluded: chain C residue 398 VAL Chi-restraints excluded: chain C residue 400 VAL Chi-restraints excluded: chain C residue 406 HIS Chi-restraints excluded: chain C residue 407 LYS Chi-restraints excluded: chain C residue 408 TYR Chi-restraints excluded: chain C residue 411 VAL Chi-restraints excluded: chain C residue 413 LYS Chi-restraints excluded: chain C residue 414 GLN Chi-restraints excluded: chain C residue 425 ILE Chi-restraints excluded: chain C residue 431 VAL Chi-restraints excluded: chain C residue 443 ILE Chi-restraints excluded: chain C residue 447 TYR Chi-restraints excluded: chain C residue 452 THR Chi-restraints excluded: chain C residue 456 ASP Chi-restraints excluded: chain C residue 462 TYR Chi-restraints excluded: chain C residue 463 LEU Chi-restraints excluded: chain C residue 471 ILE Chi-restraints excluded: chain C residue 478 ILE Chi-restraints excluded: chain C residue 479 GLU Chi-restraints excluded: chain C residue 480 HIS Chi-restraints excluded: chain C residue 485 THR Chi-restraints excluded: chain C residue 496 PHE Chi-restraints excluded: chain C residue 497 LEU Chi-restraints excluded: chain C residue 499 GLN Chi-restraints excluded: chain C residue 501 ILE Chi-restraints excluded: chain C residue 516 ASN Chi-restraints excluded: chain C residue 524 TYR Chi-restraints excluded: chain C residue 528 ILE Chi-restraints excluded: chain C residue 536 GLU Chi-restraints excluded: chain C residue 539 VAL Chi-restraints excluded: chain C residue 544 ASP Chi-restraints excluded: chain C residue 549 ILE Chi-restraints excluded: chain C residue 559 THR Chi-restraints excluded: chain C residue 576 GLU Chi-restraints excluded: chain C residue 580 GLN Chi-restraints excluded: chain D residue 12 TYR Chi-restraints excluded: chain D residue 13 LYS Chi-restraints excluded: chain D residue 19 PHE Chi-restraints excluded: chain D residue 25 ASP Chi-restraints excluded: chain D residue 33 GLN Chi-restraints excluded: chain D residue 34 ASP Chi-restraints excluded: chain D residue 35 MET Chi-restraints excluded: chain D residue 38 SER Chi-restraints excluded: chain D residue 40 LEU Chi-restraints excluded: chain D residue 41 SER Chi-restraints excluded: chain D residue 44 GLU Chi-restraints excluded: chain D residue 46 ASP Chi-restraints excluded: chain D residue 50 MET Chi-restraints excluded: chain D residue 51 SER Chi-restraints excluded: chain D residue 58 THR Chi-restraints excluded: chain D residue 77 VAL Chi-restraints excluded: chain D residue 80 VAL Chi-restraints excluded: chain D residue 82 ARG Chi-restraints excluded: chain D residue 92 ILE Chi-restraints excluded: chain D residue 93 LYS Chi-restraints excluded: chain D residue 100 SER Chi-restraints excluded: chain D residue 101 MET Chi-restraints excluded: chain D residue 104 ARG Chi-restraints excluded: chain D residue 107 ILE Chi-restraints excluded: chain D residue 110 ARG Chi-restraints excluded: chain D residue 116 ASP Chi-restraints excluded: chain D residue 124 ASN Chi-restraints excluded: chain D residue 127 ARG Chi-restraints excluded: chain D residue 131 TYR Chi-restraints excluded: chain D residue 135 ARG Chi-restraints excluded: chain D residue 141 LEU Chi-restraints excluded: chain D residue 153 LEU Chi-restraints excluded: chain D residue 157 LYS Chi-restraints excluded: chain D residue 158 THR Chi-restraints excluded: chain D residue 162 LEU Chi-restraints excluded: chain D residue 164 VAL Chi-restraints excluded: chain D residue 166 LEU Chi-restraints excluded: chain D residue 167 SER Chi-restraints excluded: chain D residue 173 LYS Chi-restraints excluded: chain D residue 177 LYS Chi-restraints excluded: chain D residue 188 SER Chi-restraints excluded: chain D residue 193 LEU Chi-restraints excluded: chain D residue 199 LEU Chi-restraints excluded: chain D residue 203 ILE Chi-restraints excluded: chain D residue 204 ASP Chi-restraints excluded: chain D residue 208 THR Chi-restraints excluded: chain D residue 210 ARG Chi-restraints excluded: chain D residue 211 SER Chi-restraints excluded: chain D residue 217 ILE Chi-restraints excluded: chain D residue 218 LYS Chi-restraints excluded: chain D residue 219 LEU Chi-restraints excluded: chain D residue 221 ILE Chi-restraints excluded: chain D residue 230 ARG Chi-restraints excluded: chain D residue 236 PRO Chi-restraints excluded: chain D residue 239 ASN Chi-restraints excluded: chain D residue 242 LEU Chi-restraints excluded: chain D residue 245 LEU Chi-restraints excluded: chain D residue 247 VAL Chi-restraints excluded: chain D residue 249 ASN Chi-restraints excluded: chain D residue 254 ASN Chi-restraints excluded: chain D residue 256 PHE Chi-restraints excluded: chain D residue 258 LEU Chi-restraints excluded: chain D residue 266 THR Chi-restraints excluded: chain D residue 267 ARG Chi-restraints excluded: chain D residue 271 VAL Chi-restraints excluded: chain D residue 273 ASP Chi-restraints excluded: chain D residue 280 THR Chi-restraints excluded: chain D residue 281 THR Chi-restraints excluded: chain D residue 284 SER Chi-restraints excluded: chain D residue 288 HIS Chi-restraints excluded: chain D residue 290 MET Chi-restraints excluded: chain D residue 292 LEU Chi-restraints excluded: chain D residue 293 THR Chi-restraints excluded: chain D residue 297 VAL Chi-restraints excluded: chain D residue 299 SER Chi-restraints excluded: chain D residue 307 CYS Chi-restraints excluded: chain D residue 319 THR Chi-restraints excluded: chain D residue 321 PRO Chi-restraints excluded: chain D residue 322 ARG Chi-restraints excluded: chain D residue 323 ARG Chi-restraints excluded: chain D residue 324 LEU Chi-restraints excluded: chain D residue 325 SER Chi-restraints excluded: chain D residue 327 ILE Chi-restraints excluded: chain D residue 331 ILE Chi-restraints excluded: chain D residue 333 ASP Chi-restraints excluded: chain D residue 338 TRP Chi-restraints excluded: chain D residue 339 ASP Chi-restraints excluded: chain D residue 342 LYS Chi-restraints excluded: chain D residue 349 LEU Chi-restraints excluded: chain D residue 351 THR Chi-restraints excluded: chain D residue 352 ILE Chi-restraints excluded: chain D residue 353 ILE Chi-restraints excluded: chain D residue 359 VAL Chi-restraints excluded: chain D residue 367 LYS Chi-restraints excluded: chain D residue 370 ASP Chi-restraints excluded: chain D residue 373 SER Chi-restraints excluded: chain D residue 378 SER Chi-restraints excluded: chain D residue 381 ILE Chi-restraints excluded: chain D residue 383 THR Chi-restraints excluded: chain D residue 384 ILE Chi-restraints excluded: chain D residue 385 LEU Chi-restraints excluded: chain D residue 387 SER Chi-restraints excluded: chain D residue 397 ASP Chi-restraints excluded: chain D residue 398 VAL Chi-restraints excluded: chain D residue 406 HIS Chi-restraints excluded: chain D residue 407 LYS Chi-restraints excluded: chain D residue 408 TYR Chi-restraints excluded: chain D residue 413 LYS Chi-restraints excluded: chain D residue 419 THR Chi-restraints excluded: chain D residue 421 SER Chi-restraints excluded: chain D residue 428 GLU Chi-restraints excluded: chain D residue 431 VAL Chi-restraints excluded: chain D residue 447 TYR Chi-restraints excluded: chain D residue 451 LYS Chi-restraints excluded: chain D residue 452 THR Chi-restraints excluded: chain D residue 456 ASP Chi-restraints excluded: chain D residue 457 ASP Chi-restraints excluded: chain D residue 471 ILE Chi-restraints excluded: chain D residue 476 LYS Chi-restraints excluded: chain D residue 478 ILE Chi-restraints excluded: chain D residue 485 THR Chi-restraints excluded: chain D residue 490 VAL Chi-restraints excluded: chain D residue 494 PHE Chi-restraints excluded: chain D residue 496 PHE Chi-restraints excluded: chain D residue 497 LEU Chi-restraints excluded: chain D residue 499 GLN Chi-restraints excluded: chain D residue 501 ILE Chi-restraints excluded: chain D residue 516 ASN Chi-restraints excluded: chain D residue 528 ILE Chi-restraints excluded: chain D residue 533 PRO Chi-restraints excluded: chain D residue 535 TYR Chi-restraints excluded: chain D residue 536 GLU Chi-restraints excluded: chain D residue 539 VAL Chi-restraints excluded: chain D residue 544 ASP Chi-restraints excluded: chain D residue 549 ILE Chi-restraints excluded: chain D residue 559 THR Chi-restraints excluded: chain D residue 564 ILE Chi-restraints excluded: chain D residue 570 ASP Chi-restraints excluded: chain D residue 573 ILE Chi-restraints excluded: chain D residue 576 GLU Chi-restraints excluded: chain E residue 11 GLN Chi-restraints excluded: chain E residue 12 TYR Chi-restraints excluded: chain E residue 13 LYS Chi-restraints excluded: chain E residue 14 ASP Chi-restraints excluded: chain E residue 15 ILE Chi-restraints excluded: chain E residue 19 PHE Chi-restraints excluded: chain E residue 25 ASP Chi-restraints excluded: chain E residue 32 VAL Chi-restraints excluded: chain E residue 33 GLN Chi-restraints excluded: chain E residue 34 ASP Chi-restraints excluded: chain E residue 35 MET Chi-restraints excluded: chain E residue 38 SER Chi-restraints excluded: chain E residue 39 ILE Chi-restraints excluded: chain E residue 41 SER Chi-restraints excluded: chain E residue 44 GLU Chi-restraints excluded: chain E residue 50 MET Chi-restraints excluded: chain E residue 51 SER Chi-restraints excluded: chain E residue 58 THR Chi-restraints excluded: chain E residue 65 LEU Chi-restraints excluded: chain E residue 66 LEU Chi-restraints excluded: chain E residue 77 VAL Chi-restraints excluded: chain E residue 80 VAL Chi-restraints excluded: chain E residue 81 LEU Chi-restraints excluded: chain E residue 82 ARG Chi-restraints excluded: chain E residue 83 ILE Chi-restraints excluded: chain E residue 85 TYR Chi-restraints excluded: chain E residue 88 LEU Chi-restraints excluded: chain E residue 92 ILE Chi-restraints excluded: chain E residue 94 THR Chi-restraints excluded: chain E residue 97 ARG Chi-restraints excluded: chain E residue 100 SER Chi-restraints excluded: chain E residue 103 THR Chi-restraints excluded: chain E residue 107 ILE Chi-restraints excluded: chain E residue 110 ARG Chi-restraints excluded: chain E residue 122 LYS Chi-restraints excluded: chain E residue 127 ARG Chi-restraints excluded: chain E residue 131 TYR Chi-restraints excluded: chain E residue 135 ARG Chi-restraints excluded: chain E residue 139 LEU Chi-restraints excluded: chain E residue 141 LEU Chi-restraints excluded: chain E residue 150 ASP Chi-restraints excluded: chain E residue 153 LEU Chi-restraints excluded: chain E residue 157 LYS Chi-restraints excluded: chain E residue 158 THR Chi-restraints excluded: chain E residue 160 VAL Chi-restraints excluded: chain E residue 166 LEU Chi-restraints excluded: chain E residue 167 SER Chi-restraints excluded: chain E residue 169 LYS Chi-restraints excluded: chain E residue 181 LEU Chi-restraints excluded: chain E residue 188 SER Chi-restraints excluded: chain E residue 191 THR Chi-restraints excluded: chain E residue 193 LEU Chi-restraints excluded: chain E residue 204 ASP Chi-restraints excluded: chain E residue 208 THR Chi-restraints excluded: chain E residue 221 ILE Chi-restraints excluded: chain E residue 225 GLN Chi-restraints excluded: chain E residue 234 SER Chi-restraints excluded: chain E residue 239 ASN Chi-restraints excluded: chain E residue 246 ASN Chi-restraints excluded: chain E residue 249 ASN Chi-restraints excluded: chain E residue 258 LEU Chi-restraints excluded: chain E residue 262 ILE Chi-restraints excluded: chain E residue 266 THR Chi-restraints excluded: chain E residue 273 ASP Chi-restraints excluded: chain E residue 279 THR Chi-restraints excluded: chain E residue 280 THR Chi-restraints excluded: chain E residue 281 THR Chi-restraints excluded: chain E residue 284 SER Chi-restraints excluded: chain E residue 285 LEU Chi-restraints excluded: chain E residue 288 HIS Chi-restraints excluded: chain E residue 291 THR Chi-restraints excluded: chain E residue 292 LEU Chi-restraints excluded: chain E residue 293 THR Chi-restraints excluded: chain E residue 305 LEU Chi-restraints excluded: chain E residue 319 THR Chi-restraints excluded: chain E residue 321 PRO Chi-restraints excluded: chain E residue 323 ARG Chi-restraints excluded: chain E residue 324 LEU Chi-restraints excluded: chain E residue 325 SER Chi-restraints excluded: chain E residue 329 GLU Chi-restraints excluded: chain E residue 333 ASP Chi-restraints excluded: chain E residue 338 TRP Chi-restraints excluded: chain E residue 339 ASP Chi-restraints excluded: chain E residue 351 THR Chi-restraints excluded: chain E residue 352 ILE Chi-restraints excluded: chain E residue 353 ILE Chi-restraints excluded: chain E residue 359 VAL Chi-restraints excluded: chain E residue 370 ASP Chi-restraints excluded: chain E residue 371 ARG Chi-restraints excluded: chain E residue 373 SER Chi-restraints excluded: chain E residue 381 ILE Chi-restraints excluded: chain E residue 383 THR Chi-restraints excluded: chain E residue 384 ILE Chi-restraints excluded: chain E residue 385 LEU Chi-restraints excluded: chain E residue 387 SER Chi-restraints excluded: chain E residue 389 ILE Chi-restraints excluded: chain E residue 396 SER Chi-restraints excluded: chain E residue 400 VAL Chi-restraints excluded: chain E residue 406 HIS Chi-restraints excluded: chain E residue 407 LYS Chi-restraints excluded: chain E residue 408 TYR Chi-restraints excluded: chain E residue 411 VAL Chi-restraints excluded: chain E residue 413 LYS Chi-restraints excluded: chain E residue 414 GLN Chi-restraints excluded: chain E residue 425 ILE Chi-restraints excluded: chain E residue 431 VAL Chi-restraints excluded: chain E residue 443 ILE Chi-restraints excluded: chain E residue 447 TYR Chi-restraints excluded: chain E residue 452 THR Chi-restraints excluded: chain E residue 456 ASP Chi-restraints excluded: chain E residue 459 ILE Chi-restraints excluded: chain E residue 462 TYR Chi-restraints excluded: chain E residue 463 LEU Chi-restraints excluded: chain E residue 471 ILE Chi-restraints excluded: chain E residue 475 LEU Chi-restraints excluded: chain E residue 478 ILE Chi-restraints excluded: chain E residue 479 GLU Chi-restraints excluded: chain E residue 480 HIS Chi-restraints excluded: chain E residue 485 THR Chi-restraints excluded: chain E residue 487 PHE Chi-restraints excluded: chain E residue 489 MET Chi-restraints excluded: chain E residue 494 PHE Chi-restraints excluded: chain E residue 496 PHE Chi-restraints excluded: chain E residue 497 LEU Chi-restraints excluded: chain E residue 499 GLN Chi-restraints excluded: chain E residue 501 ILE Chi-restraints excluded: chain E residue 516 ASN Chi-restraints excluded: chain E residue 524 TYR Chi-restraints excluded: chain E residue 528 ILE Chi-restraints excluded: chain E residue 536 GLU Chi-restraints excluded: chain E residue 539 VAL Chi-restraints excluded: chain E residue 544 ASP Chi-restraints excluded: chain E residue 549 ILE Chi-restraints excluded: chain E residue 559 THR Chi-restraints excluded: chain E residue 564 ILE Chi-restraints excluded: chain E residue 576 GLU Chi-restraints excluded: chain E residue 580 GLN Chi-restraints excluded: chain F residue 12 TYR Chi-restraints excluded: chain F residue 13 LYS Chi-restraints excluded: chain F residue 19 PHE Chi-restraints excluded: chain F residue 25 ASP Chi-restraints excluded: chain F residue 33 GLN Chi-restraints excluded: chain F residue 34 ASP Chi-restraints excluded: chain F residue 35 MET Chi-restraints excluded: chain F residue 38 SER Chi-restraints excluded: chain F residue 40 LEU Chi-restraints excluded: chain F residue 41 SER Chi-restraints excluded: chain F residue 44 GLU Chi-restraints excluded: chain F residue 46 ASP Chi-restraints excluded: chain F residue 51 SER Chi-restraints excluded: chain F residue 58 THR Chi-restraints excluded: chain F residue 74 GLN Chi-restraints excluded: chain F residue 77 VAL Chi-restraints excluded: chain F residue 80 VAL Chi-restraints excluded: chain F residue 81 LEU Chi-restraints excluded: chain F residue 82 ARG Chi-restraints excluded: chain F residue 87 PHE Chi-restraints excluded: chain F residue 93 LYS Chi-restraints excluded: chain F residue 100 SER Chi-restraints excluded: chain F residue 101 MET Chi-restraints excluded: chain F residue 104 ARG Chi-restraints excluded: chain F residue 107 ILE Chi-restraints excluded: chain F residue 110 ARG Chi-restraints excluded: chain F residue 116 ASP Chi-restraints excluded: chain F residue 124 ASN Chi-restraints excluded: chain F residue 127 ARG Chi-restraints excluded: chain F residue 131 TYR Chi-restraints excluded: chain F residue 135 ARG Chi-restraints excluded: chain F residue 141 LEU Chi-restraints excluded: chain F residue 153 LEU Chi-restraints excluded: chain F residue 157 LYS Chi-restraints excluded: chain F residue 158 THR Chi-restraints excluded: chain F residue 162 LEU Chi-restraints excluded: chain F residue 164 VAL Chi-restraints excluded: chain F residue 166 LEU Chi-restraints excluded: chain F residue 167 SER Chi-restraints excluded: chain F residue 173 LYS Chi-restraints excluded: chain F residue 177 LYS Chi-restraints excluded: chain F residue 179 PHE Chi-restraints excluded: chain F residue 191 THR Chi-restraints excluded: chain F residue 193 LEU Chi-restraints excluded: chain F residue 199 LEU Chi-restraints excluded: chain F residue 203 ILE Chi-restraints excluded: chain F residue 204 ASP Chi-restraints excluded: chain F residue 208 THR Chi-restraints excluded: chain F residue 210 ARG Chi-restraints excluded: chain F residue 211 SER Chi-restraints excluded: chain F residue 217 ILE Chi-restraints excluded: chain F residue 218 LYS Chi-restraints excluded: chain F residue 219 LEU Chi-restraints excluded: chain F residue 221 ILE Chi-restraints excluded: chain F residue 230 ARG Chi-restraints excluded: chain F residue 236 PRO Chi-restraints excluded: chain F residue 239 ASN Chi-restraints excluded: chain F residue 242 LEU Chi-restraints excluded: chain F residue 245 LEU Chi-restraints excluded: chain F residue 247 VAL Chi-restraints excluded: chain F residue 249 ASN Chi-restraints excluded: chain F residue 254 ASN Chi-restraints excluded: chain F residue 256 PHE Chi-restraints excluded: chain F residue 258 LEU Chi-restraints excluded: chain F residue 266 THR Chi-restraints excluded: chain F residue 267 ARG Chi-restraints excluded: chain F residue 271 VAL Chi-restraints excluded: chain F residue 273 ASP Chi-restraints excluded: chain F residue 280 THR Chi-restraints excluded: chain F residue 281 THR Chi-restraints excluded: chain F residue 284 SER Chi-restraints excluded: chain F residue 288 HIS Chi-restraints excluded: chain F residue 290 MET Chi-restraints excluded: chain F residue 292 LEU Chi-restraints excluded: chain F residue 293 THR Chi-restraints excluded: chain F residue 297 VAL Chi-restraints excluded: chain F residue 299 SER Chi-restraints excluded: chain F residue 307 CYS Chi-restraints excluded: chain F residue 319 THR Chi-restraints excluded: chain F residue 321 PRO Chi-restraints excluded: chain F residue 322 ARG Chi-restraints excluded: chain F residue 323 ARG Chi-restraints excluded: chain F residue 324 LEU Chi-restraints excluded: chain F residue 325 SER Chi-restraints excluded: chain F residue 327 ILE Chi-restraints excluded: chain F residue 331 ILE Chi-restraints excluded: chain F residue 333 ASP Chi-restraints excluded: chain F residue 338 TRP Chi-restraints excluded: chain F residue 339 ASP Chi-restraints excluded: chain F residue 342 LYS Chi-restraints excluded: chain F residue 349 LEU Chi-restraints excluded: chain F residue 351 THR Chi-restraints excluded: chain F residue 352 ILE Chi-restraints excluded: chain F residue 353 ILE Chi-restraints excluded: chain F residue 359 VAL Chi-restraints excluded: chain F residue 360 LEU Chi-restraints excluded: chain F residue 367 LYS Chi-restraints excluded: chain F residue 370 ASP Chi-restraints excluded: chain F residue 373 SER Chi-restraints excluded: chain F residue 378 SER Chi-restraints excluded: chain F residue 381 ILE Chi-restraints excluded: chain F residue 383 THR Chi-restraints excluded: chain F residue 384 ILE Chi-restraints excluded: chain F residue 385 LEU Chi-restraints excluded: chain F residue 387 SER Chi-restraints excluded: chain F residue 397 ASP Chi-restraints excluded: chain F residue 398 VAL Chi-restraints excluded: chain F residue 406 HIS Chi-restraints excluded: chain F residue 407 LYS Chi-restraints excluded: chain F residue 408 TYR Chi-restraints excluded: chain F residue 413 LYS Chi-restraints excluded: chain F residue 419 THR Chi-restraints excluded: chain F residue 421 SER Chi-restraints excluded: chain F residue 428 GLU Chi-restraints excluded: chain F residue 431 VAL Chi-restraints excluded: chain F residue 447 TYR Chi-restraints excluded: chain F residue 452 THR Chi-restraints excluded: chain F residue 456 ASP Chi-restraints excluded: chain F residue 457 ASP Chi-restraints excluded: chain F residue 471 ILE Chi-restraints excluded: chain F residue 476 LYS Chi-restraints excluded: chain F residue 478 ILE Chi-restraints excluded: chain F residue 490 VAL Chi-restraints excluded: chain F residue 494 PHE Chi-restraints excluded: chain F residue 496 PHE Chi-restraints excluded: chain F residue 497 LEU Chi-restraints excluded: chain F residue 499 GLN Chi-restraints excluded: chain F residue 501 ILE Chi-restraints excluded: chain F residue 516 ASN Chi-restraints excluded: chain F residue 528 ILE Chi-restraints excluded: chain F residue 533 PRO Chi-restraints excluded: chain F residue 535 TYR Chi-restraints excluded: chain F residue 536 GLU Chi-restraints excluded: chain F residue 539 VAL Chi-restraints excluded: chain F residue 544 ASP Chi-restraints excluded: chain F residue 549 ILE Chi-restraints excluded: chain F residue 559 THR Chi-restraints excluded: chain F residue 564 ILE Chi-restraints excluded: chain F residue 570 ASP Chi-restraints excluded: chain F residue 573 ILE Chi-restraints excluded: chain F residue 576 GLU Chi-restraints excluded: chain G residue 11 GLN Chi-restraints excluded: chain G residue 12 TYR Chi-restraints excluded: chain G residue 13 LYS Chi-restraints excluded: chain G residue 14 ASP Chi-restraints excluded: chain G residue 15 ILE Chi-restraints excluded: chain G residue 19 PHE Chi-restraints excluded: chain G residue 25 ASP Chi-restraints excluded: chain G residue 32 VAL Chi-restraints excluded: chain G residue 33 GLN Chi-restraints excluded: chain G residue 34 ASP Chi-restraints excluded: chain G residue 35 MET Chi-restraints excluded: chain G residue 38 SER Chi-restraints excluded: chain G residue 39 ILE Chi-restraints excluded: chain G residue 41 SER Chi-restraints excluded: chain G residue 44 GLU Chi-restraints excluded: chain G residue 50 MET Chi-restraints excluded: chain G residue 51 SER Chi-restraints excluded: chain G residue 58 THR Chi-restraints excluded: chain G residue 65 LEU Chi-restraints excluded: chain G residue 66 LEU Chi-restraints excluded: chain G residue 77 VAL Chi-restraints excluded: chain G residue 80 VAL Chi-restraints excluded: chain G residue 81 LEU Chi-restraints excluded: chain G residue 82 ARG Chi-restraints excluded: chain G residue 83 ILE Chi-restraints excluded: chain G residue 85 TYR Chi-restraints excluded: chain G residue 92 ILE Chi-restraints excluded: chain G residue 94 THR Chi-restraints excluded: chain G residue 97 ARG Chi-restraints excluded: chain G residue 100 SER Chi-restraints excluded: chain G residue 103 THR Chi-restraints excluded: chain G residue 107 ILE Chi-restraints excluded: chain G residue 110 ARG Chi-restraints excluded: chain G residue 116 ASP Chi-restraints excluded: chain G residue 122 LYS Chi-restraints excluded: chain G residue 127 ARG Chi-restraints excluded: chain G residue 131 TYR Chi-restraints excluded: chain G residue 135 ARG Chi-restraints excluded: chain G residue 139 LEU Chi-restraints excluded: chain G residue 141 LEU Chi-restraints excluded: chain G residue 150 ASP Chi-restraints excluded: chain G residue 153 LEU Chi-restraints excluded: chain G residue 157 LYS Chi-restraints excluded: chain G residue 158 THR Chi-restraints excluded: chain G residue 160 VAL Chi-restraints excluded: chain G residue 166 LEU Chi-restraints excluded: chain G residue 167 SER Chi-restraints excluded: chain G residue 188 SER Chi-restraints excluded: chain G residue 191 THR Chi-restraints excluded: chain G residue 204 ASP Chi-restraints excluded: chain G residue 208 THR Chi-restraints excluded: chain G residue 217 ILE Chi-restraints excluded: chain G residue 221 ILE Chi-restraints excluded: chain G residue 225 GLN Chi-restraints excluded: chain G residue 234 SER Chi-restraints excluded: chain G residue 239 ASN Chi-restraints excluded: chain G residue 246 ASN Chi-restraints excluded: chain G residue 249 ASN Chi-restraints excluded: chain G residue 251 LYS Chi-restraints excluded: chain G residue 258 LEU Chi-restraints excluded: chain G residue 262 ILE Chi-restraints excluded: chain G residue 266 THR Chi-restraints excluded: chain G residue 273 ASP Chi-restraints excluded: chain G residue 279 THR Chi-restraints excluded: chain G residue 280 THR Chi-restraints excluded: chain G residue 281 THR Chi-restraints excluded: chain G residue 284 SER Chi-restraints excluded: chain G residue 285 LEU Chi-restraints excluded: chain G residue 288 HIS Chi-restraints excluded: chain G residue 291 THR Chi-restraints excluded: chain G residue 292 LEU Chi-restraints excluded: chain G residue 293 THR Chi-restraints excluded: chain G residue 305 LEU Chi-restraints excluded: chain G residue 319 THR Chi-restraints excluded: chain G residue 321 PRO Chi-restraints excluded: chain G residue 323 ARG Chi-restraints excluded: chain G residue 324 LEU Chi-restraints excluded: chain G residue 325 SER Chi-restraints excluded: chain G residue 327 ILE Chi-restraints excluded: chain G residue 329 GLU Chi-restraints excluded: chain G residue 331 ILE Chi-restraints excluded: chain G residue 333 ASP Chi-restraints excluded: chain G residue 338 TRP Chi-restraints excluded: chain G residue 339 ASP Chi-restraints excluded: chain G residue 342 LYS Chi-restraints excluded: chain G residue 343 HIS Chi-restraints excluded: chain G residue 351 THR Chi-restraints excluded: chain G residue 352 ILE Chi-restraints excluded: chain G residue 353 ILE Chi-restraints excluded: chain G residue 359 VAL Chi-restraints excluded: chain G residue 370 ASP Chi-restraints excluded: chain G residue 371 ARG Chi-restraints excluded: chain G residue 373 SER Chi-restraints excluded: chain G residue 381 ILE Chi-restraints excluded: chain G residue 383 THR Chi-restraints excluded: chain G residue 384 ILE Chi-restraints excluded: chain G residue 385 LEU Chi-restraints excluded: chain G residue 387 SER Chi-restraints excluded: chain G residue 389 ILE Chi-restraints excluded: chain G residue 396 SER Chi-restraints excluded: chain G residue 400 VAL Chi-restraints excluded: chain G residue 406 HIS Chi-restraints excluded: chain G residue 407 LYS Chi-restraints excluded: chain G residue 408 TYR Chi-restraints excluded: chain G residue 411 VAL Chi-restraints excluded: chain G residue 413 LYS Chi-restraints excluded: chain G residue 414 GLN Chi-restraints excluded: chain G residue 425 ILE Chi-restraints excluded: chain G residue 431 VAL Chi-restraints excluded: chain G residue 443 ILE Chi-restraints excluded: chain G residue 447 TYR Chi-restraints excluded: chain G residue 452 THR Chi-restraints excluded: chain G residue 456 ASP Chi-restraints excluded: chain G residue 459 ILE Chi-restraints excluded: chain G residue 462 TYR Chi-restraints excluded: chain G residue 463 LEU Chi-restraints excluded: chain G residue 471 ILE Chi-restraints excluded: chain G residue 478 ILE Chi-restraints excluded: chain G residue 479 GLU Chi-restraints excluded: chain G residue 480 HIS Chi-restraints excluded: chain G residue 485 THR Chi-restraints excluded: chain G residue 487 PHE Chi-restraints excluded: chain G residue 494 PHE Chi-restraints excluded: chain G residue 496 PHE Chi-restraints excluded: chain G residue 497 LEU Chi-restraints excluded: chain G residue 499 GLN Chi-restraints excluded: chain G residue 501 ILE Chi-restraints excluded: chain G residue 516 ASN Chi-restraints excluded: chain G residue 524 TYR Chi-restraints excluded: chain G residue 528 ILE Chi-restraints excluded: chain G residue 535 TYR Chi-restraints excluded: chain G residue 536 GLU Chi-restraints excluded: chain G residue 539 VAL Chi-restraints excluded: chain G residue 544 ASP Chi-restraints excluded: chain G residue 549 ILE Chi-restraints excluded: chain G residue 559 THR Chi-restraints excluded: chain G residue 564 ILE Chi-restraints excluded: chain G residue 576 GLU Chi-restraints excluded: chain G residue 580 GLN Chi-restraints excluded: chain H residue 12 TYR Chi-restraints excluded: chain H residue 13 LYS Chi-restraints excluded: chain H residue 20 GLU Chi-restraints excluded: chain H residue 25 ASP Chi-restraints excluded: chain H residue 33 GLN Chi-restraints excluded: chain H residue 34 ASP Chi-restraints excluded: chain H residue 35 MET Chi-restraints excluded: chain H residue 38 SER Chi-restraints excluded: chain H residue 40 LEU Chi-restraints excluded: chain H residue 41 SER Chi-restraints excluded: chain H residue 44 GLU Chi-restraints excluded: chain H residue 46 ASP Chi-restraints excluded: chain H residue 51 SER Chi-restraints excluded: chain H residue 58 THR Chi-restraints excluded: chain H residue 76 PHE Chi-restraints excluded: chain H residue 77 VAL Chi-restraints excluded: chain H residue 80 VAL Chi-restraints excluded: chain H residue 81 LEU Chi-restraints excluded: chain H residue 82 ARG Chi-restraints excluded: chain H residue 84 ASN Chi-restraints excluded: chain H residue 89 MET Chi-restraints excluded: chain H residue 92 ILE Chi-restraints excluded: chain H residue 93 LYS Chi-restraints excluded: chain H residue 100 SER Chi-restraints excluded: chain H residue 101 MET Chi-restraints excluded: chain H residue 104 ARG Chi-restraints excluded: chain H residue 107 ILE Chi-restraints excluded: chain H residue 110 ARG Chi-restraints excluded: chain H residue 116 ASP Chi-restraints excluded: chain H residue 124 ASN Chi-restraints excluded: chain H residue 127 ARG Chi-restraints excluded: chain H residue 131 TYR Chi-restraints excluded: chain H residue 133 LYS Chi-restraints excluded: chain H residue 135 ARG Chi-restraints excluded: chain H residue 141 LEU Chi-restraints excluded: chain H residue 153 LEU Chi-restraints excluded: chain H residue 157 LYS Chi-restraints excluded: chain H residue 158 THR Chi-restraints excluded: chain H residue 162 LEU Chi-restraints excluded: chain H residue 164 VAL Chi-restraints excluded: chain H residue 166 LEU Chi-restraints excluded: chain H residue 167 SER Chi-restraints excluded: chain H residue 173 LYS Chi-restraints excluded: chain H residue 177 LYS Chi-restraints excluded: chain H residue 188 SER Chi-restraints excluded: chain H residue 193 LEU Chi-restraints excluded: chain H residue 199 LEU Chi-restraints excluded: chain H residue 203 ILE Chi-restraints excluded: chain H residue 204 ASP Chi-restraints excluded: chain H residue 208 THR Chi-restraints excluded: chain H residue 210 ARG Chi-restraints excluded: chain H residue 211 SER Chi-restraints excluded: chain H residue 217 ILE Chi-restraints excluded: chain H residue 218 LYS Chi-restraints excluded: chain H residue 219 LEU Chi-restraints excluded: chain H residue 221 ILE Chi-restraints excluded: chain H residue 230 ARG Chi-restraints excluded: chain H residue 234 SER Chi-restraints excluded: chain H residue 236 PRO Chi-restraints excluded: chain H residue 239 ASN Chi-restraints excluded: chain H residue 242 LEU Chi-restraints excluded: chain H residue 245 LEU Chi-restraints excluded: chain H residue 247 VAL Chi-restraints excluded: chain H residue 249 ASN Chi-restraints excluded: chain H residue 254 ASN Chi-restraints excluded: chain H residue 256 PHE Chi-restraints excluded: chain H residue 258 LEU Chi-restraints excluded: chain H residue 266 THR Chi-restraints excluded: chain H residue 267 ARG Chi-restraints excluded: chain H residue 271 VAL Chi-restraints excluded: chain H residue 273 ASP Chi-restraints excluded: chain H residue 279 THR Chi-restraints excluded: chain H residue 280 THR Chi-restraints excluded: chain H residue 281 THR Chi-restraints excluded: chain H residue 284 SER Chi-restraints excluded: chain H residue 288 HIS Chi-restraints excluded: chain H residue 290 MET Chi-restraints excluded: chain H residue 292 LEU Chi-restraints excluded: chain H residue 293 THR Chi-restraints excluded: chain H residue 297 VAL Chi-restraints excluded: chain H residue 299 SER Chi-restraints excluded: chain H residue 307 CYS Chi-restraints excluded: chain H residue 319 THR Chi-restraints excluded: chain H residue 321 PRO Chi-restraints excluded: chain H residue 322 ARG Chi-restraints excluded: chain H residue 323 ARG Chi-restraints excluded: chain H residue 324 LEU Chi-restraints excluded: chain H residue 325 SER Chi-restraints excluded: chain H residue 327 ILE Chi-restraints excluded: chain H residue 331 ILE Chi-restraints excluded: chain H residue 333 ASP Chi-restraints excluded: chain H residue 338 TRP Chi-restraints excluded: chain H residue 339 ASP Chi-restraints excluded: chain H residue 342 LYS Chi-restraints excluded: chain H residue 349 LEU Chi-restraints excluded: chain H residue 351 THR Chi-restraints excluded: chain H residue 352 ILE Chi-restraints excluded: chain H residue 353 ILE Chi-restraints excluded: chain H residue 359 VAL Chi-restraints excluded: chain H residue 367 LYS Chi-restraints excluded: chain H residue 370 ASP Chi-restraints excluded: chain H residue 373 SER Chi-restraints excluded: chain H residue 378 SER Chi-restraints excluded: chain H residue 381 ILE Chi-restraints excluded: chain H residue 383 THR Chi-restraints excluded: chain H residue 384 ILE Chi-restraints excluded: chain H residue 385 LEU Chi-restraints excluded: chain H residue 387 SER Chi-restraints excluded: chain H residue 397 ASP Chi-restraints excluded: chain H residue 398 VAL Chi-restraints excluded: chain H residue 406 HIS Chi-restraints excluded: chain H residue 407 LYS Chi-restraints excluded: chain H residue 408 TYR Chi-restraints excluded: chain H residue 413 LYS Chi-restraints excluded: chain H residue 419 THR Chi-restraints excluded: chain H residue 421 SER Chi-restraints excluded: chain H residue 428 GLU Chi-restraints excluded: chain H residue 431 VAL Chi-restraints excluded: chain H residue 443 ILE Chi-restraints excluded: chain H residue 447 TYR Chi-restraints excluded: chain H residue 451 LYS Chi-restraints excluded: chain H residue 452 THR Chi-restraints excluded: chain H residue 456 ASP Chi-restraints excluded: chain H residue 457 ASP Chi-restraints excluded: chain H residue 471 ILE Chi-restraints excluded: chain H residue 478 ILE Chi-restraints excluded: chain H residue 490 VAL Chi-restraints excluded: chain H residue 494 PHE Chi-restraints excluded: chain H residue 496 PHE Chi-restraints excluded: chain H residue 497 LEU Chi-restraints excluded: chain H residue 499 GLN Chi-restraints excluded: chain H residue 501 ILE Chi-restraints excluded: chain H residue 516 ASN Chi-restraints excluded: chain H residue 528 ILE Chi-restraints excluded: chain H residue 533 PRO Chi-restraints excluded: chain H residue 535 TYR Chi-restraints excluded: chain H residue 536 GLU Chi-restraints excluded: chain H residue 539 VAL Chi-restraints excluded: chain H residue 544 ASP Chi-restraints excluded: chain H residue 549 ILE Chi-restraints excluded: chain H residue 559 THR Chi-restraints excluded: chain H residue 564 ILE Chi-restraints excluded: chain H residue 570 ASP Chi-restraints excluded: chain H residue 573 ILE Chi-restraints excluded: chain H residue 576 GLU Chi-restraints excluded: chain I residue 11 GLN Chi-restraints excluded: chain I residue 12 TYR Chi-restraints excluded: chain I residue 13 LYS Chi-restraints excluded: chain I residue 14 ASP Chi-restraints excluded: chain I residue 15 ILE Chi-restraints excluded: chain I residue 19 PHE Chi-restraints excluded: chain I residue 24 VAL Chi-restraints excluded: chain I residue 25 ASP Chi-restraints excluded: chain I residue 32 VAL Chi-restraints excluded: chain I residue 33 GLN Chi-restraints excluded: chain I residue 34 ASP Chi-restraints excluded: chain I residue 35 MET Chi-restraints excluded: chain I residue 38 SER Chi-restraints excluded: chain I residue 39 ILE Chi-restraints excluded: chain I residue 41 SER Chi-restraints excluded: chain I residue 44 GLU Chi-restraints excluded: chain I residue 50 MET Chi-restraints excluded: chain I residue 51 SER Chi-restraints excluded: chain I residue 58 THR Chi-restraints excluded: chain I residue 65 LEU Chi-restraints excluded: chain I residue 66 LEU Chi-restraints excluded: chain I residue 72 MET Chi-restraints excluded: chain I residue 77 VAL Chi-restraints excluded: chain I residue 79 GLU Chi-restraints excluded: chain I residue 80 VAL Chi-restraints excluded: chain I residue 81 LEU Chi-restraints excluded: chain I residue 82 ARG Chi-restraints excluded: chain I residue 83 ILE Chi-restraints excluded: chain I residue 85 TYR Chi-restraints excluded: chain I residue 92 ILE Chi-restraints excluded: chain I residue 94 THR Chi-restraints excluded: chain I residue 97 ARG Chi-restraints excluded: chain I residue 100 SER Chi-restraints excluded: chain I residue 103 THR Chi-restraints excluded: chain I residue 107 ILE Chi-restraints excluded: chain I residue 110 ARG Chi-restraints excluded: chain I residue 116 ASP Chi-restraints excluded: chain I residue 122 LYS Chi-restraints excluded: chain I residue 127 ARG Chi-restraints excluded: chain I residue 131 TYR Chi-restraints excluded: chain I residue 135 ARG Chi-restraints excluded: chain I residue 139 LEU Chi-restraints excluded: chain I residue 141 LEU Chi-restraints excluded: chain I residue 150 ASP Chi-restraints excluded: chain I residue 153 LEU Chi-restraints excluded: chain I residue 157 LYS Chi-restraints excluded: chain I residue 158 THR Chi-restraints excluded: chain I residue 160 VAL Chi-restraints excluded: chain I residue 166 LEU Chi-restraints excluded: chain I residue 167 SER Chi-restraints excluded: chain I residue 169 LYS Chi-restraints excluded: chain I residue 181 LEU Chi-restraints excluded: chain I residue 188 SER Chi-restraints excluded: chain I residue 191 THR Chi-restraints excluded: chain I residue 204 ASP Chi-restraints excluded: chain I residue 208 THR Chi-restraints excluded: chain I residue 221 ILE Chi-restraints excluded: chain I residue 225 GLN Chi-restraints excluded: chain I residue 234 SER Chi-restraints excluded: chain I residue 239 ASN Chi-restraints excluded: chain I residue 246 ASN Chi-restraints excluded: chain I residue 249 ASN Chi-restraints excluded: chain I residue 258 LEU Chi-restraints excluded: chain I residue 262 ILE Chi-restraints excluded: chain I residue 266 THR Chi-restraints excluded: chain I residue 273 ASP Chi-restraints excluded: chain I residue 276 SER Chi-restraints excluded: chain I residue 279 THR Chi-restraints excluded: chain I residue 280 THR Chi-restraints excluded: chain I residue 281 THR Chi-restraints excluded: chain I residue 284 SER Chi-restraints excluded: chain I residue 285 LEU Chi-restraints excluded: chain I residue 288 HIS Chi-restraints excluded: chain I residue 291 THR Chi-restraints excluded: chain I residue 292 LEU Chi-restraints excluded: chain I residue 293 THR Chi-restraints excluded: chain I residue 305 LEU Chi-restraints excluded: chain I residue 319 THR Chi-restraints excluded: chain I residue 321 PRO Chi-restraints excluded: chain I residue 324 LEU Chi-restraints excluded: chain I residue 325 SER Chi-restraints excluded: chain I residue 326 ILE Chi-restraints excluded: chain I residue 327 ILE Chi-restraints excluded: chain I residue 329 GLU Chi-restraints excluded: chain I residue 331 ILE Chi-restraints excluded: chain I residue 333 ASP Chi-restraints excluded: chain I residue 338 TRP Chi-restraints excluded: chain I residue 339 ASP Chi-restraints excluded: chain I residue 342 LYS Chi-restraints excluded: chain I residue 343 HIS Chi-restraints excluded: chain I residue 349 LEU Chi-restraints excluded: chain I residue 351 THR Chi-restraints excluded: chain I residue 352 ILE Chi-restraints excluded: chain I residue 353 ILE Chi-restraints excluded: chain I residue 355 SER Chi-restraints excluded: chain I residue 359 VAL Chi-restraints excluded: chain I residue 370 ASP Chi-restraints excluded: chain I residue 371 ARG Chi-restraints excluded: chain I residue 373 SER Chi-restraints excluded: chain I residue 381 ILE Chi-restraints excluded: chain I residue 383 THR Chi-restraints excluded: chain I residue 384 ILE Chi-restraints excluded: chain I residue 385 LEU Chi-restraints excluded: chain I residue 387 SER Chi-restraints excluded: chain I residue 389 ILE Chi-restraints excluded: chain I residue 396 SER Chi-restraints excluded: chain I residue 398 VAL Chi-restraints excluded: chain I residue 400 VAL Chi-restraints excluded: chain I residue 406 HIS Chi-restraints excluded: chain I residue 407 LYS Chi-restraints excluded: chain I residue 408 TYR Chi-restraints excluded: chain I residue 411 VAL Chi-restraints excluded: chain I residue 413 LYS Chi-restraints excluded: chain I residue 414 GLN Chi-restraints excluded: chain I residue 425 ILE Chi-restraints excluded: chain I residue 428 GLU Chi-restraints excluded: chain I residue 431 VAL Chi-restraints excluded: chain I residue 443 ILE Chi-restraints excluded: chain I residue 447 TYR Chi-restraints excluded: chain I residue 452 THR Chi-restraints excluded: chain I residue 456 ASP Chi-restraints excluded: chain I residue 459 ILE Chi-restraints excluded: chain I residue 462 TYR Chi-restraints excluded: chain I residue 463 LEU Chi-restraints excluded: chain I residue 471 ILE Chi-restraints excluded: chain I residue 478 ILE Chi-restraints excluded: chain I residue 479 GLU Chi-restraints excluded: chain I residue 480 HIS Chi-restraints excluded: chain I residue 485 THR Chi-restraints excluded: chain I residue 487 PHE Chi-restraints excluded: chain I residue 489 MET Chi-restraints excluded: chain I residue 494 PHE Chi-restraints excluded: chain I residue 496 PHE Chi-restraints excluded: chain I residue 497 LEU Chi-restraints excluded: chain I residue 499 GLN Chi-restraints excluded: chain I residue 501 ILE Chi-restraints excluded: chain I residue 516 ASN Chi-restraints excluded: chain I residue 524 TYR Chi-restraints excluded: chain I residue 528 ILE Chi-restraints excluded: chain I residue 536 GLU Chi-restraints excluded: chain I residue 539 VAL Chi-restraints excluded: chain I residue 544 ASP Chi-restraints excluded: chain I residue 549 ILE Chi-restraints excluded: chain I residue 559 THR Chi-restraints excluded: chain I residue 564 ILE Chi-restraints excluded: chain I residue 576 GLU Chi-restraints excluded: chain I residue 580 GLN Chi-restraints excluded: chain J residue 12 TYR Chi-restraints excluded: chain J residue 13 LYS Chi-restraints excluded: chain J residue 25 ASP Chi-restraints excluded: chain J residue 33 GLN Chi-restraints excluded: chain J residue 34 ASP Chi-restraints excluded: chain J residue 35 MET Chi-restraints excluded: chain J residue 38 SER Chi-restraints excluded: chain J residue 40 LEU Chi-restraints excluded: chain J residue 41 SER Chi-restraints excluded: chain J residue 44 GLU Chi-restraints excluded: chain J residue 46 ASP Chi-restraints excluded: chain J residue 51 SER Chi-restraints excluded: chain J residue 58 THR Chi-restraints excluded: chain J residue 60 ARG Chi-restraints excluded: chain J residue 77 VAL Chi-restraints excluded: chain J residue 80 VAL Chi-restraints excluded: chain J residue 82 ARG Chi-restraints excluded: chain J residue 89 MET Chi-restraints excluded: chain J residue 92 ILE Chi-restraints excluded: chain J residue 93 LYS Chi-restraints excluded: chain J residue 100 SER Chi-restraints excluded: chain J residue 101 MET Chi-restraints excluded: chain J residue 104 ARG Chi-restraints excluded: chain J residue 107 ILE Chi-restraints excluded: chain J residue 110 ARG Chi-restraints excluded: chain J residue 116 ASP Chi-restraints excluded: chain J residue 127 ARG Chi-restraints excluded: chain J residue 131 TYR Chi-restraints excluded: chain J residue 133 LYS Chi-restraints excluded: chain J residue 135 ARG Chi-restraints excluded: chain J residue 141 LEU Chi-restraints excluded: chain J residue 153 LEU Chi-restraints excluded: chain J residue 157 LYS Chi-restraints excluded: chain J residue 158 THR Chi-restraints excluded: chain J residue 162 LEU Chi-restraints excluded: chain J residue 164 VAL Chi-restraints excluded: chain J residue 166 LEU Chi-restraints excluded: chain J residue 167 SER Chi-restraints excluded: chain J residue 173 LYS Chi-restraints excluded: chain J residue 177 LYS Chi-restraints excluded: chain J residue 179 PHE Chi-restraints excluded: chain J residue 193 LEU Chi-restraints excluded: chain J residue 199 LEU Chi-restraints excluded: chain J residue 203 ILE Chi-restraints excluded: chain J residue 204 ASP Chi-restraints excluded: chain J residue 208 THR Chi-restraints excluded: chain J residue 210 ARG Chi-restraints excluded: chain J residue 211 SER Chi-restraints excluded: chain J residue 217 ILE Chi-restraints excluded: chain J residue 218 LYS Chi-restraints excluded: chain J residue 219 LEU Chi-restraints excluded: chain J residue 221 ILE Chi-restraints excluded: chain J residue 230 ARG Chi-restraints excluded: chain J residue 234 SER Chi-restraints excluded: chain J residue 236 PRO Chi-restraints excluded: chain J residue 239 ASN Chi-restraints excluded: chain J residue 242 LEU Chi-restraints excluded: chain J residue 245 LEU Chi-restraints excluded: chain J residue 247 VAL Chi-restraints excluded: chain J residue 249 ASN Chi-restraints excluded: chain J residue 251 LYS Chi-restraints excluded: chain J residue 254 ASN Chi-restraints excluded: chain J residue 256 PHE Chi-restraints excluded: chain J residue 258 LEU Chi-restraints excluded: chain J residue 266 THR Chi-restraints excluded: chain J residue 267 ARG Chi-restraints excluded: chain J residue 271 VAL Chi-restraints excluded: chain J residue 273 ASP Chi-restraints excluded: chain J residue 280 THR Chi-restraints excluded: chain J residue 281 THR Chi-restraints excluded: chain J residue 285 LEU Chi-restraints excluded: chain J residue 288 HIS Chi-restraints excluded: chain J residue 290 MET Chi-restraints excluded: chain J residue 292 LEU Chi-restraints excluded: chain J residue 293 THR Chi-restraints excluded: chain J residue 297 VAL Chi-restraints excluded: chain J residue 299 SER Chi-restraints excluded: chain J residue 307 CYS Chi-restraints excluded: chain J residue 319 THR Chi-restraints excluded: chain J residue 321 PRO Chi-restraints excluded: chain J residue 322 ARG Chi-restraints excluded: chain J residue 323 ARG Chi-restraints excluded: chain J residue 324 LEU Chi-restraints excluded: chain J residue 325 SER Chi-restraints excluded: chain J residue 327 ILE Chi-restraints excluded: chain J residue 331 ILE Chi-restraints excluded: chain J residue 333 ASP Chi-restraints excluded: chain J residue 338 TRP Chi-restraints excluded: chain J residue 339 ASP Chi-restraints excluded: chain J residue 342 LYS Chi-restraints excluded: chain J residue 349 LEU Chi-restraints excluded: chain J residue 351 THR Chi-restraints excluded: chain J residue 352 ILE Chi-restraints excluded: chain J residue 353 ILE Chi-restraints excluded: chain J residue 359 VAL Chi-restraints excluded: chain J residue 367 LYS Chi-restraints excluded: chain J residue 370 ASP Chi-restraints excluded: chain J residue 373 SER Chi-restraints excluded: chain J residue 378 SER Chi-restraints excluded: chain J residue 381 ILE Chi-restraints excluded: chain J residue 383 THR Chi-restraints excluded: chain J residue 384 ILE Chi-restraints excluded: chain J residue 385 LEU Chi-restraints excluded: chain J residue 387 SER Chi-restraints excluded: chain J residue 397 ASP Chi-restraints excluded: chain J residue 398 VAL Chi-restraints excluded: chain J residue 406 HIS Chi-restraints excluded: chain J residue 407 LYS Chi-restraints excluded: chain J residue 408 TYR Chi-restraints excluded: chain J residue 413 LYS Chi-restraints excluded: chain J residue 419 THR Chi-restraints excluded: chain J residue 421 SER Chi-restraints excluded: chain J residue 428 GLU Chi-restraints excluded: chain J residue 431 VAL Chi-restraints excluded: chain J residue 443 ILE Chi-restraints excluded: chain J residue 446 HIS Chi-restraints excluded: chain J residue 447 TYR Chi-restraints excluded: chain J residue 451 LYS Chi-restraints excluded: chain J residue 452 THR Chi-restraints excluded: chain J residue 456 ASP Chi-restraints excluded: chain J residue 457 ASP Chi-restraints excluded: chain J residue 471 ILE Chi-restraints excluded: chain J residue 476 LYS Chi-restraints excluded: chain J residue 478 ILE Chi-restraints excluded: chain J residue 485 THR Chi-restraints excluded: chain J residue 490 VAL Chi-restraints excluded: chain J residue 494 PHE Chi-restraints excluded: chain J residue 496 PHE Chi-restraints excluded: chain J residue 497 LEU Chi-restraints excluded: chain J residue 499 GLN Chi-restraints excluded: chain J residue 501 ILE Chi-restraints excluded: chain J residue 516 ASN Chi-restraints excluded: chain J residue 522 LYS Chi-restraints excluded: chain J residue 526 PRO Chi-restraints excluded: chain J residue 528 ILE Chi-restraints excluded: chain J residue 533 PRO Chi-restraints excluded: chain J residue 535 TYR Chi-restraints excluded: chain J residue 536 GLU Chi-restraints excluded: chain J residue 539 VAL Chi-restraints excluded: chain J residue 544 ASP Chi-restraints excluded: chain J residue 549 ILE Chi-restraints excluded: chain J residue 559 THR Chi-restraints excluded: chain J residue 564 ILE Chi-restraints excluded: chain J residue 570 ASP Chi-restraints excluded: chain J residue 573 ILE Chi-restraints excluded: chain J residue 576 GLU Chi-restraints excluded: chain K residue 11 GLN Chi-restraints excluded: chain K residue 12 TYR Chi-restraints excluded: chain K residue 13 LYS Chi-restraints excluded: chain K residue 14 ASP Chi-restraints excluded: chain K residue 15 ILE Chi-restraints excluded: chain K residue 19 PHE Chi-restraints excluded: chain K residue 24 VAL Chi-restraints excluded: chain K residue 25 ASP Chi-restraints excluded: chain K residue 26 ASN Chi-restraints excluded: chain K residue 32 VAL Chi-restraints excluded: chain K residue 33 GLN Chi-restraints excluded: chain K residue 34 ASP Chi-restraints excluded: chain K residue 35 MET Chi-restraints excluded: chain K residue 38 SER Chi-restraints excluded: chain K residue 39 ILE Chi-restraints excluded: chain K residue 41 SER Chi-restraints excluded: chain K residue 44 GLU Chi-restraints excluded: chain K residue 50 MET Chi-restraints excluded: chain K residue 51 SER Chi-restraints excluded: chain K residue 56 SER Chi-restraints excluded: chain K residue 58 THR Chi-restraints excluded: chain K residue 65 LEU Chi-restraints excluded: chain K residue 66 LEU Chi-restraints excluded: chain K residue 77 VAL Chi-restraints excluded: chain K residue 79 GLU Chi-restraints excluded: chain K residue 80 VAL Chi-restraints excluded: chain K residue 81 LEU Chi-restraints excluded: chain K residue 82 ARG Chi-restraints excluded: chain K residue 83 ILE Chi-restraints excluded: chain K residue 85 TYR Chi-restraints excluded: chain K residue 92 ILE Chi-restraints excluded: chain K residue 94 THR Chi-restraints excluded: chain K residue 97 ARG Chi-restraints excluded: chain K residue 100 SER Chi-restraints excluded: chain K residue 103 THR Chi-restraints excluded: chain K residue 107 ILE Chi-restraints excluded: chain K residue 110 ARG Chi-restraints excluded: chain K residue 122 LYS Chi-restraints excluded: chain K residue 127 ARG Chi-restraints excluded: chain K residue 131 TYR Chi-restraints excluded: chain K residue 135 ARG Chi-restraints excluded: chain K residue 139 LEU Chi-restraints excluded: chain K residue 141 LEU Chi-restraints excluded: chain K residue 150 ASP Chi-restraints excluded: chain K residue 153 LEU Chi-restraints excluded: chain K residue 157 LYS Chi-restraints excluded: chain K residue 158 THR Chi-restraints excluded: chain K residue 160 VAL Chi-restraints excluded: chain K residue 166 LEU Chi-restraints excluded: chain K residue 167 SER Chi-restraints excluded: chain K residue 169 LYS Chi-restraints excluded: chain K residue 181 LEU Chi-restraints excluded: chain K residue 188 SER Chi-restraints excluded: chain K residue 191 THR Chi-restraints excluded: chain K residue 193 LEU Chi-restraints excluded: chain K residue 204 ASP Chi-restraints excluded: chain K residue 208 THR Chi-restraints excluded: chain K residue 221 ILE Chi-restraints excluded: chain K residue 225 GLN Chi-restraints excluded: chain K residue 231 LEU Chi-restraints excluded: chain K residue 234 SER Chi-restraints excluded: chain K residue 239 ASN Chi-restraints excluded: chain K residue 246 ASN Chi-restraints excluded: chain K residue 251 LYS Chi-restraints excluded: chain K residue 258 LEU Chi-restraints excluded: chain K residue 262 ILE Chi-restraints excluded: chain K residue 264 LEU Chi-restraints excluded: chain K residue 266 THR Chi-restraints excluded: chain K residue 273 ASP Chi-restraints excluded: chain K residue 279 THR Chi-restraints excluded: chain K residue 280 THR Chi-restraints excluded: chain K residue 281 THR Chi-restraints excluded: chain K residue 284 SER Chi-restraints excluded: chain K residue 285 LEU Chi-restraints excluded: chain K residue 288 HIS Chi-restraints excluded: chain K residue 291 THR Chi-restraints excluded: chain K residue 292 LEU Chi-restraints excluded: chain K residue 293 THR Chi-restraints excluded: chain K residue 305 LEU Chi-restraints excluded: chain K residue 321 PRO Chi-restraints excluded: chain K residue 323 ARG Chi-restraints excluded: chain K residue 324 LEU Chi-restraints excluded: chain K residue 325 SER Chi-restraints excluded: chain K residue 326 ILE Chi-restraints excluded: chain K residue 327 ILE Chi-restraints excluded: chain K residue 329 GLU Chi-restraints excluded: chain K residue 331 ILE Chi-restraints excluded: chain K residue 333 ASP Chi-restraints excluded: chain K residue 338 TRP Chi-restraints excluded: chain K residue 339 ASP Chi-restraints excluded: chain K residue 342 LYS Chi-restraints excluded: chain K residue 343 HIS Chi-restraints excluded: chain K residue 351 THR Chi-restraints excluded: chain K residue 352 ILE Chi-restraints excluded: chain K residue 353 ILE Chi-restraints excluded: chain K residue 359 VAL Chi-restraints excluded: chain K residue 370 ASP Chi-restraints excluded: chain K residue 371 ARG Chi-restraints excluded: chain K residue 373 SER Chi-restraints excluded: chain K residue 381 ILE Chi-restraints excluded: chain K residue 383 THR Chi-restraints excluded: chain K residue 384 ILE Chi-restraints excluded: chain K residue 385 LEU Chi-restraints excluded: chain K residue 387 SER Chi-restraints excluded: chain K residue 389 ILE Chi-restraints excluded: chain K residue 396 SER Chi-restraints excluded: chain K residue 398 VAL Chi-restraints excluded: chain K residue 400 VAL Chi-restraints excluded: chain K residue 406 HIS Chi-restraints excluded: chain K residue 407 LYS Chi-restraints excluded: chain K residue 408 TYR Chi-restraints excluded: chain K residue 411 VAL Chi-restraints excluded: chain K residue 413 LYS Chi-restraints excluded: chain K residue 414 GLN Chi-restraints excluded: chain K residue 425 ILE Chi-restraints excluded: chain K residue 431 VAL Chi-restraints excluded: chain K residue 443 ILE Chi-restraints excluded: chain K residue 447 TYR Chi-restraints excluded: chain K residue 452 THR Chi-restraints excluded: chain K residue 456 ASP Chi-restraints excluded: chain K residue 459 ILE Chi-restraints excluded: chain K residue 462 TYR Chi-restraints excluded: chain K residue 463 LEU Chi-restraints excluded: chain K residue 471 ILE Chi-restraints excluded: chain K residue 478 ILE Chi-restraints excluded: chain K residue 479 GLU Chi-restraints excluded: chain K residue 480 HIS Chi-restraints excluded: chain K residue 485 THR Chi-restraints excluded: chain K residue 487 PHE Chi-restraints excluded: chain K residue 489 MET Chi-restraints excluded: chain K residue 494 PHE Chi-restraints excluded: chain K residue 496 PHE Chi-restraints excluded: chain K residue 497 LEU Chi-restraints excluded: chain K residue 499 GLN Chi-restraints excluded: chain K residue 501 ILE Chi-restraints excluded: chain K residue 516 ASN Chi-restraints excluded: chain K residue 524 TYR Chi-restraints excluded: chain K residue 528 ILE Chi-restraints excluded: chain K residue 535 TYR Chi-restraints excluded: chain K residue 536 GLU Chi-restraints excluded: chain K residue 539 VAL Chi-restraints excluded: chain K residue 544 ASP Chi-restraints excluded: chain K residue 549 ILE Chi-restraints excluded: chain K residue 559 THR Chi-restraints excluded: chain K residue 564 ILE Chi-restraints excluded: chain K residue 576 GLU Chi-restraints excluded: chain K residue 580 GLN Chi-restraints excluded: chain L residue 12 TYR Chi-restraints excluded: chain L residue 13 LYS Chi-restraints excluded: chain L residue 19 PHE Chi-restraints excluded: chain L residue 20 GLU Chi-restraints excluded: chain L residue 25 ASP Chi-restraints excluded: chain L residue 33 GLN Chi-restraints excluded: chain L residue 34 ASP Chi-restraints excluded: chain L residue 38 SER Chi-restraints excluded: chain L residue 40 LEU Chi-restraints excluded: chain L residue 41 SER Chi-restraints excluded: chain L residue 44 GLU Chi-restraints excluded: chain L residue 46 ASP Chi-restraints excluded: chain L residue 50 MET Chi-restraints excluded: chain L residue 51 SER Chi-restraints excluded: chain L residue 58 THR Chi-restraints excluded: chain L residue 77 VAL Chi-restraints excluded: chain L residue 80 VAL Chi-restraints excluded: chain L residue 82 ARG Chi-restraints excluded: chain L residue 87 PHE Chi-restraints excluded: chain L residue 89 MET Chi-restraints excluded: chain L residue 92 ILE Chi-restraints excluded: chain L residue 93 LYS Chi-restraints excluded: chain L residue 100 SER Chi-restraints excluded: chain L residue 101 MET Chi-restraints excluded: chain L residue 104 ARG Chi-restraints excluded: chain L residue 107 ILE Chi-restraints excluded: chain L residue 110 ARG Chi-restraints excluded: chain L residue 116 ASP Chi-restraints excluded: chain L residue 127 ARG Chi-restraints excluded: chain L residue 131 TYR Chi-restraints excluded: chain L residue 133 LYS Chi-restraints excluded: chain L residue 135 ARG Chi-restraints excluded: chain L residue 141 LEU Chi-restraints excluded: chain L residue 153 LEU Chi-restraints excluded: chain L residue 157 LYS Chi-restraints excluded: chain L residue 158 THR Chi-restraints excluded: chain L residue 162 LEU Chi-restraints excluded: chain L residue 164 VAL Chi-restraints excluded: chain L residue 166 LEU Chi-restraints excluded: chain L residue 167 SER Chi-restraints excluded: chain L residue 173 LYS Chi-restraints excluded: chain L residue 177 LYS Chi-restraints excluded: chain L residue 179 PHE Chi-restraints excluded: chain L residue 193 LEU Chi-restraints excluded: chain L residue 199 LEU Chi-restraints excluded: chain L residue 204 ASP Chi-restraints excluded: chain L residue 208 THR Chi-restraints excluded: chain L residue 210 ARG Chi-restraints excluded: chain L residue 211 SER Chi-restraints excluded: chain L residue 217 ILE Chi-restraints excluded: chain L residue 218 LYS Chi-restraints excluded: chain L residue 219 LEU Chi-restraints excluded: chain L residue 221 ILE Chi-restraints excluded: chain L residue 230 ARG Chi-restraints excluded: chain L residue 234 SER Chi-restraints excluded: chain L residue 236 PRO Chi-restraints excluded: chain L residue 239 ASN Chi-restraints excluded: chain L residue 242 LEU Chi-restraints excluded: chain L residue 245 LEU Chi-restraints excluded: chain L residue 247 VAL Chi-restraints excluded: chain L residue 249 ASN Chi-restraints excluded: chain L residue 254 ASN Chi-restraints excluded: chain L residue 256 PHE Chi-restraints excluded: chain L residue 258 LEU Chi-restraints excluded: chain L residue 266 THR Chi-restraints excluded: chain L residue 267 ARG Chi-restraints excluded: chain L residue 271 VAL Chi-restraints excluded: chain L residue 273 ASP Chi-restraints excluded: chain L residue 280 THR Chi-restraints excluded: chain L residue 281 THR Chi-restraints excluded: chain L residue 285 LEU Chi-restraints excluded: chain L residue 288 HIS Chi-restraints excluded: chain L residue 290 MET Chi-restraints excluded: chain L residue 292 LEU Chi-restraints excluded: chain L residue 293 THR Chi-restraints excluded: chain L residue 297 VAL Chi-restraints excluded: chain L residue 299 SER Chi-restraints excluded: chain L residue 307 CYS Chi-restraints excluded: chain L residue 319 THR Chi-restraints excluded: chain L residue 321 PRO Chi-restraints excluded: chain L residue 322 ARG Chi-restraints excluded: chain L residue 323 ARG Chi-restraints excluded: chain L residue 324 LEU Chi-restraints excluded: chain L residue 325 SER Chi-restraints excluded: chain L residue 327 ILE Chi-restraints excluded: chain L residue 331 ILE Chi-restraints excluded: chain L residue 333 ASP Chi-restraints excluded: chain L residue 338 TRP Chi-restraints excluded: chain L residue 339 ASP Chi-restraints excluded: chain L residue 342 LYS Chi-restraints excluded: chain L residue 349 LEU Chi-restraints excluded: chain L residue 351 THR Chi-restraints excluded: chain L residue 352 ILE Chi-restraints excluded: chain L residue 353 ILE Chi-restraints excluded: chain L residue 359 VAL Chi-restraints excluded: chain L residue 367 LYS Chi-restraints excluded: chain L residue 370 ASP Chi-restraints excluded: chain L residue 373 SER Chi-restraints excluded: chain L residue 378 SER Chi-restraints excluded: chain L residue 381 ILE Chi-restraints excluded: chain L residue 383 THR Chi-restraints excluded: chain L residue 384 ILE Chi-restraints excluded: chain L residue 385 LEU Chi-restraints excluded: chain L residue 387 SER Chi-restraints excluded: chain L residue 397 ASP Chi-restraints excluded: chain L residue 398 VAL Chi-restraints excluded: chain L residue 406 HIS Chi-restraints excluded: chain L residue 407 LYS Chi-restraints excluded: chain L residue 408 TYR Chi-restraints excluded: chain L residue 413 LYS Chi-restraints excluded: chain L residue 419 THR Chi-restraints excluded: chain L residue 421 SER Chi-restraints excluded: chain L residue 428 GLU Chi-restraints excluded: chain L residue 431 VAL Chi-restraints excluded: chain L residue 447 TYR Chi-restraints excluded: chain L residue 451 LYS Chi-restraints excluded: chain L residue 452 THR Chi-restraints excluded: chain L residue 456 ASP Chi-restraints excluded: chain L residue 457 ASP Chi-restraints excluded: chain L residue 471 ILE Chi-restraints excluded: chain L residue 478 ILE Chi-restraints excluded: chain L residue 484 MET Chi-restraints excluded: chain L residue 485 THR Chi-restraints excluded: chain L residue 490 VAL Chi-restraints excluded: chain L residue 494 PHE Chi-restraints excluded: chain L residue 496 PHE Chi-restraints excluded: chain L residue 497 LEU Chi-restraints excluded: chain L residue 499 GLN Chi-restraints excluded: chain L residue 501 ILE Chi-restraints excluded: chain L residue 526 PRO Chi-restraints excluded: chain L residue 528 ILE Chi-restraints excluded: chain L residue 533 PRO Chi-restraints excluded: chain L residue 535 TYR Chi-restraints excluded: chain L residue 536 GLU Chi-restraints excluded: chain L residue 539 VAL Chi-restraints excluded: chain L residue 544 ASP Chi-restraints excluded: chain L residue 549 ILE Chi-restraints excluded: chain L residue 559 THR Chi-restraints excluded: chain L residue 564 ILE Chi-restraints excluded: chain L residue 570 ASP Chi-restraints excluded: chain L residue 573 ILE Chi-restraints excluded: chain L residue 576 GLU Chi-restraints excluded: chain M residue 11 GLN Chi-restraints excluded: chain M residue 12 TYR Chi-restraints excluded: chain M residue 13 LYS Chi-restraints excluded: chain M residue 14 ASP Chi-restraints excluded: chain M residue 15 ILE Chi-restraints excluded: chain M residue 19 PHE Chi-restraints excluded: chain M residue 24 VAL Chi-restraints excluded: chain M residue 25 ASP Chi-restraints excluded: chain M residue 26 ASN Chi-restraints excluded: chain M residue 32 VAL Chi-restraints excluded: chain M residue 33 GLN Chi-restraints excluded: chain M residue 34 ASP Chi-restraints excluded: chain M residue 35 MET Chi-restraints excluded: chain M residue 38 SER Chi-restraints excluded: chain M residue 39 ILE Chi-restraints excluded: chain M residue 41 SER Chi-restraints excluded: chain M residue 44 GLU Chi-restraints excluded: chain M residue 50 MET Chi-restraints excluded: chain M residue 51 SER Chi-restraints excluded: chain M residue 56 SER Chi-restraints excluded: chain M residue 58 THR Chi-restraints excluded: chain M residue 65 LEU Chi-restraints excluded: chain M residue 66 LEU Chi-restraints excluded: chain M residue 77 VAL Chi-restraints excluded: chain M residue 79 GLU Chi-restraints excluded: chain M residue 80 VAL Chi-restraints excluded: chain M residue 81 LEU Chi-restraints excluded: chain M residue 82 ARG Chi-restraints excluded: chain M residue 83 ILE Chi-restraints excluded: chain M residue 85 TYR Chi-restraints excluded: chain M residue 92 ILE Chi-restraints excluded: chain M residue 94 THR Chi-restraints excluded: chain M residue 97 ARG Chi-restraints excluded: chain M residue 100 SER Chi-restraints excluded: chain M residue 103 THR Chi-restraints excluded: chain M residue 107 ILE Chi-restraints excluded: chain M residue 110 ARG Chi-restraints excluded: chain M residue 122 LYS Chi-restraints excluded: chain M residue 127 ARG Chi-restraints excluded: chain M residue 131 TYR Chi-restraints excluded: chain M residue 135 ARG Chi-restraints excluded: chain M residue 139 LEU Chi-restraints excluded: chain M residue 141 LEU Chi-restraints excluded: chain M residue 150 ASP Chi-restraints excluded: chain M residue 153 LEU Chi-restraints excluded: chain M residue 157 LYS Chi-restraints excluded: chain M residue 158 THR Chi-restraints excluded: chain M residue 160 VAL Chi-restraints excluded: chain M residue 166 LEU Chi-restraints excluded: chain M residue 167 SER Chi-restraints excluded: chain M residue 181 LEU Chi-restraints excluded: chain M residue 188 SER Chi-restraints excluded: chain M residue 191 THR Chi-restraints excluded: chain M residue 204 ASP Chi-restraints excluded: chain M residue 208 THR Chi-restraints excluded: chain M residue 217 ILE Chi-restraints excluded: chain M residue 221 ILE Chi-restraints excluded: chain M residue 225 GLN Chi-restraints excluded: chain M residue 230 ARG Chi-restraints excluded: chain M residue 234 SER Chi-restraints excluded: chain M residue 239 ASN Chi-restraints excluded: chain M residue 246 ASN Chi-restraints excluded: chain M residue 258 LEU Chi-restraints excluded: chain M residue 262 ILE Chi-restraints excluded: chain M residue 266 THR Chi-restraints excluded: chain M residue 273 ASP Chi-restraints excluded: chain M residue 274 PHE Chi-restraints excluded: chain M residue 279 THR Chi-restraints excluded: chain M residue 280 THR Chi-restraints excluded: chain M residue 281 THR Chi-restraints excluded: chain M residue 284 SER Chi-restraints excluded: chain M residue 285 LEU Chi-restraints excluded: chain M residue 288 HIS Chi-restraints excluded: chain M residue 291 THR Chi-restraints excluded: chain M residue 292 LEU Chi-restraints excluded: chain M residue 293 THR Chi-restraints excluded: chain M residue 298 LYS Chi-restraints excluded: chain M residue 305 LEU Chi-restraints excluded: chain M residue 321 PRO Chi-restraints excluded: chain M residue 323 ARG Chi-restraints excluded: chain M residue 324 LEU Chi-restraints excluded: chain M residue 325 SER Chi-restraints excluded: chain M residue 326 ILE Chi-restraints excluded: chain M residue 327 ILE Chi-restraints excluded: chain M residue 329 GLU Chi-restraints excluded: chain M residue 331 ILE Chi-restraints excluded: chain M residue 333 ASP Chi-restraints excluded: chain M residue 338 TRP Chi-restraints excluded: chain M residue 339 ASP Chi-restraints excluded: chain M residue 342 LYS Chi-restraints excluded: chain M residue 343 HIS Chi-restraints excluded: chain M residue 349 LEU Chi-restraints excluded: chain M residue 351 THR Chi-restraints excluded: chain M residue 352 ILE Chi-restraints excluded: chain M residue 353 ILE Chi-restraints excluded: chain M residue 355 SER Chi-restraints excluded: chain M residue 359 VAL Chi-restraints excluded: chain M residue 365 TYR Chi-restraints excluded: chain M residue 367 LYS Chi-restraints excluded: chain M residue 370 ASP Chi-restraints excluded: chain M residue 371 ARG Chi-restraints excluded: chain M residue 373 SER Chi-restraints excluded: chain M residue 381 ILE Chi-restraints excluded: chain M residue 383 THR Chi-restraints excluded: chain M residue 384 ILE Chi-restraints excluded: chain M residue 385 LEU Chi-restraints excluded: chain M residue 387 SER Chi-restraints excluded: chain M residue 389 ILE Chi-restraints excluded: chain M residue 397 ASP Chi-restraints excluded: chain M residue 398 VAL Chi-restraints excluded: chain M residue 400 VAL Chi-restraints excluded: chain M residue 406 HIS Chi-restraints excluded: chain M residue 407 LYS Chi-restraints excluded: chain M residue 408 TYR Chi-restraints excluded: chain M residue 411 VAL Chi-restraints excluded: chain M residue 413 LYS Chi-restraints excluded: chain M residue 425 ILE Chi-restraints excluded: chain M residue 428 GLU Chi-restraints excluded: chain M residue 431 VAL Chi-restraints excluded: chain M residue 443 ILE Chi-restraints excluded: chain M residue 447 TYR Chi-restraints excluded: chain M residue 452 THR Chi-restraints excluded: chain M residue 456 ASP Chi-restraints excluded: chain M residue 459 ILE Chi-restraints excluded: chain M residue 462 TYR Chi-restraints excluded: chain M residue 463 LEU Chi-restraints excluded: chain M residue 471 ILE Chi-restraints excluded: chain M residue 478 ILE Chi-restraints excluded: chain M residue 479 GLU Chi-restraints excluded: chain M residue 480 HIS Chi-restraints excluded: chain M residue 485 THR Chi-restraints excluded: chain M residue 489 MET Chi-restraints excluded: chain M residue 494 PHE Chi-restraints excluded: chain M residue 496 PHE Chi-restraints excluded: chain M residue 497 LEU Chi-restraints excluded: chain M residue 499 GLN Chi-restraints excluded: chain M residue 501 ILE Chi-restraints excluded: chain M residue 516 ASN Chi-restraints excluded: chain M residue 524 TYR Chi-restraints excluded: chain M residue 528 ILE Chi-restraints excluded: chain M residue 535 TYR Chi-restraints excluded: chain M residue 536 GLU Chi-restraints excluded: chain M residue 539 VAL Chi-restraints excluded: chain M residue 544 ASP Chi-restraints excluded: chain M residue 549 ILE Chi-restraints excluded: chain M residue 559 THR Chi-restraints excluded: chain M residue 564 ILE Chi-restraints excluded: chain M residue 576 GLU Chi-restraints excluded: chain M residue 580 GLN Chi-restraints excluded: chain N residue 12 TYR Chi-restraints excluded: chain N residue 13 LYS Chi-restraints excluded: chain N residue 19 PHE Chi-restraints excluded: chain N residue 25 ASP Chi-restraints excluded: chain N residue 33 GLN Chi-restraints excluded: chain N residue 34 ASP Chi-restraints excluded: chain N residue 35 MET Chi-restraints excluded: chain N residue 38 SER Chi-restraints excluded: chain N residue 40 LEU Chi-restraints excluded: chain N residue 41 SER Chi-restraints excluded: chain N residue 44 GLU Chi-restraints excluded: chain N residue 46 ASP Chi-restraints excluded: chain N residue 51 SER Chi-restraints excluded: chain N residue 58 THR Chi-restraints excluded: chain N residue 77 VAL Chi-restraints excluded: chain N residue 80 VAL Chi-restraints excluded: chain N residue 82 ARG Chi-restraints excluded: chain N residue 87 PHE Chi-restraints excluded: chain N residue 89 MET Chi-restraints excluded: chain N residue 92 ILE Chi-restraints excluded: chain N residue 93 LYS Chi-restraints excluded: chain N residue 100 SER Chi-restraints excluded: chain N residue 101 MET Chi-restraints excluded: chain N residue 104 ARG Chi-restraints excluded: chain N residue 107 ILE Chi-restraints excluded: chain N residue 110 ARG Chi-restraints excluded: chain N residue 116 ASP Chi-restraints excluded: chain N residue 127 ARG Chi-restraints excluded: chain N residue 131 TYR Chi-restraints excluded: chain N residue 133 LYS Chi-restraints excluded: chain N residue 135 ARG Chi-restraints excluded: chain N residue 141 LEU Chi-restraints excluded: chain N residue 157 LYS Chi-restraints excluded: chain N residue 158 THR Chi-restraints excluded: chain N residue 162 LEU Chi-restraints excluded: chain N residue 164 VAL Chi-restraints excluded: chain N residue 166 LEU Chi-restraints excluded: chain N residue 167 SER Chi-restraints excluded: chain N residue 173 LYS Chi-restraints excluded: chain N residue 177 LYS Chi-restraints excluded: chain N residue 188 SER Chi-restraints excluded: chain N residue 193 LEU Chi-restraints excluded: chain N residue 199 LEU Chi-restraints excluded: chain N residue 203 ILE Chi-restraints excluded: chain N residue 204 ASP Chi-restraints excluded: chain N residue 208 THR Chi-restraints excluded: chain N residue 210 ARG Chi-restraints excluded: chain N residue 211 SER Chi-restraints excluded: chain N residue 217 ILE Chi-restraints excluded: chain N residue 218 LYS Chi-restraints excluded: chain N residue 219 LEU Chi-restraints excluded: chain N residue 221 ILE Chi-restraints excluded: chain N residue 230 ARG Chi-restraints excluded: chain N residue 234 SER Chi-restraints excluded: chain N residue 236 PRO Chi-restraints excluded: chain N residue 239 ASN Chi-restraints excluded: chain N residue 242 LEU Chi-restraints excluded: chain N residue 245 LEU Chi-restraints excluded: chain N residue 247 VAL Chi-restraints excluded: chain N residue 249 ASN Chi-restraints excluded: chain N residue 254 ASN Chi-restraints excluded: chain N residue 256 PHE Chi-restraints excluded: chain N residue 258 LEU Chi-restraints excluded: chain N residue 266 THR Chi-restraints excluded: chain N residue 267 ARG Chi-restraints excluded: chain N residue 271 VAL Chi-restraints excluded: chain N residue 273 ASP Chi-restraints excluded: chain N residue 279 THR Chi-restraints excluded: chain N residue 280 THR Chi-restraints excluded: chain N residue 281 THR Chi-restraints excluded: chain N residue 288 HIS Chi-restraints excluded: chain N residue 290 MET Chi-restraints excluded: chain N residue 292 LEU Chi-restraints excluded: chain N residue 293 THR Chi-restraints excluded: chain N residue 297 VAL Chi-restraints excluded: chain N residue 299 SER Chi-restraints excluded: chain N residue 307 CYS Chi-restraints excluded: chain N residue 319 THR Chi-restraints excluded: chain N residue 321 PRO Chi-restraints excluded: chain N residue 322 ARG Chi-restraints excluded: chain N residue 323 ARG Chi-restraints excluded: chain N residue 324 LEU Chi-restraints excluded: chain N residue 325 SER Chi-restraints excluded: chain N residue 327 ILE Chi-restraints excluded: chain N residue 331 ILE Chi-restraints excluded: chain N residue 333 ASP Chi-restraints excluded: chain N residue 338 TRP Chi-restraints excluded: chain N residue 339 ASP Chi-restraints excluded: chain N residue 342 LYS Chi-restraints excluded: chain N residue 349 LEU Chi-restraints excluded: chain N residue 351 THR Chi-restraints excluded: chain N residue 352 ILE Chi-restraints excluded: chain N residue 353 ILE Chi-restraints excluded: chain N residue 359 VAL Chi-restraints excluded: chain N residue 367 LYS Chi-restraints excluded: chain N residue 370 ASP Chi-restraints excluded: chain N residue 373 SER Chi-restraints excluded: chain N residue 378 SER Chi-restraints excluded: chain N residue 381 ILE Chi-restraints excluded: chain N residue 383 THR Chi-restraints excluded: chain N residue 384 ILE Chi-restraints excluded: chain N residue 385 LEU Chi-restraints excluded: chain N residue 387 SER Chi-restraints excluded: chain N residue 397 ASP Chi-restraints excluded: chain N residue 398 VAL Chi-restraints excluded: chain N residue 406 HIS Chi-restraints excluded: chain N residue 407 LYS Chi-restraints excluded: chain N residue 408 TYR Chi-restraints excluded: chain N residue 413 LYS Chi-restraints excluded: chain N residue 419 THR Chi-restraints excluded: chain N residue 421 SER Chi-restraints excluded: chain N residue 428 GLU Chi-restraints excluded: chain N residue 431 VAL Chi-restraints excluded: chain N residue 447 TYR Chi-restraints excluded: chain N residue 451 LYS Chi-restraints excluded: chain N residue 452 THR Chi-restraints excluded: chain N residue 456 ASP Chi-restraints excluded: chain N residue 457 ASP Chi-restraints excluded: chain N residue 471 ILE Chi-restraints excluded: chain N residue 478 ILE Chi-restraints excluded: chain N residue 485 THR Chi-restraints excluded: chain N residue 490 VAL Chi-restraints excluded: chain N residue 494 PHE Chi-restraints excluded: chain N residue 496 PHE Chi-restraints excluded: chain N residue 497 LEU Chi-restraints excluded: chain N residue 499 GLN Chi-restraints excluded: chain N residue 501 ILE Chi-restraints excluded: chain N residue 528 ILE Chi-restraints excluded: chain N residue 533 PRO Chi-restraints excluded: chain N residue 535 TYR Chi-restraints excluded: chain N residue 536 GLU Chi-restraints excluded: chain N residue 539 VAL Chi-restraints excluded: chain N residue 544 ASP Chi-restraints excluded: chain N residue 549 ILE Chi-restraints excluded: chain N residue 559 THR Chi-restraints excluded: chain N residue 564 ILE Chi-restraints excluded: chain N residue 570 ASP Chi-restraints excluded: chain N residue 573 ILE Chi-restraints excluded: chain N residue 576 GLU Chi-restraints excluded: chain O residue 11 GLN Chi-restraints excluded: chain O residue 12 TYR Chi-restraints excluded: chain O residue 13 LYS Chi-restraints excluded: chain O residue 14 ASP Chi-restraints excluded: chain O residue 15 ILE Chi-restraints excluded: chain O residue 19 PHE Chi-restraints excluded: chain O residue 24 VAL Chi-restraints excluded: chain O residue 25 ASP Chi-restraints excluded: chain O residue 26 ASN Chi-restraints excluded: chain O residue 32 VAL Chi-restraints excluded: chain O residue 33 GLN Chi-restraints excluded: chain O residue 34 ASP Chi-restraints excluded: chain O residue 35 MET Chi-restraints excluded: chain O residue 38 SER Chi-restraints excluded: chain O residue 39 ILE Chi-restraints excluded: chain O residue 41 SER Chi-restraints excluded: chain O residue 44 GLU Chi-restraints excluded: chain O residue 50 MET Chi-restraints excluded: chain O residue 51 SER Chi-restraints excluded: chain O residue 56 SER Chi-restraints excluded: chain O residue 58 THR Chi-restraints excluded: chain O residue 65 LEU Chi-restraints excluded: chain O residue 66 LEU Chi-restraints excluded: chain O residue 77 VAL Chi-restraints excluded: chain O residue 79 GLU Chi-restraints excluded: chain O residue 80 VAL Chi-restraints excluded: chain O residue 81 LEU Chi-restraints excluded: chain O residue 82 ARG Chi-restraints excluded: chain O residue 83 ILE Chi-restraints excluded: chain O residue 85 TYR Chi-restraints excluded: chain O residue 87 PHE Chi-restraints excluded: chain O residue 92 ILE Chi-restraints excluded: chain O residue 94 THR Chi-restraints excluded: chain O residue 97 ARG Chi-restraints excluded: chain O residue 100 SER Chi-restraints excluded: chain O residue 103 THR Chi-restraints excluded: chain O residue 107 ILE Chi-restraints excluded: chain O residue 110 ARG Chi-restraints excluded: chain O residue 122 LYS Chi-restraints excluded: chain O residue 127 ARG Chi-restraints excluded: chain O residue 131 TYR Chi-restraints excluded: chain O residue 135 ARG Chi-restraints excluded: chain O residue 139 LEU Chi-restraints excluded: chain O residue 141 LEU Chi-restraints excluded: chain O residue 150 ASP Chi-restraints excluded: chain O residue 153 LEU Chi-restraints excluded: chain O residue 157 LYS Chi-restraints excluded: chain O residue 158 THR Chi-restraints excluded: chain O residue 160 VAL Chi-restraints excluded: chain O residue 166 LEU Chi-restraints excluded: chain O residue 167 SER Chi-restraints excluded: chain O residue 169 LYS Chi-restraints excluded: chain O residue 181 LEU Chi-restraints excluded: chain O residue 188 SER Chi-restraints excluded: chain O residue 191 THR Chi-restraints excluded: chain O residue 204 ASP Chi-restraints excluded: chain O residue 208 THR Chi-restraints excluded: chain O residue 217 ILE Chi-restraints excluded: chain O residue 221 ILE Chi-restraints excluded: chain O residue 225 GLN Chi-restraints excluded: chain O residue 231 LEU Chi-restraints excluded: chain O residue 234 SER Chi-restraints excluded: chain O residue 239 ASN Chi-restraints excluded: chain O residue 246 ASN Chi-restraints excluded: chain O residue 251 LYS Chi-restraints excluded: chain O residue 258 LEU Chi-restraints excluded: chain O residue 262 ILE Chi-restraints excluded: chain O residue 266 THR Chi-restraints excluded: chain O residue 273 ASP Chi-restraints excluded: chain O residue 280 THR Chi-restraints excluded: chain O residue 281 THR Chi-restraints excluded: chain O residue 284 SER Chi-restraints excluded: chain O residue 285 LEU Chi-restraints excluded: chain O residue 288 HIS Chi-restraints excluded: chain O residue 291 THR Chi-restraints excluded: chain O residue 292 LEU Chi-restraints excluded: chain O residue 293 THR Chi-restraints excluded: chain O residue 305 LEU Chi-restraints excluded: chain O residue 321 PRO Chi-restraints excluded: chain O residue 323 ARG Chi-restraints excluded: chain O residue 324 LEU Chi-restraints excluded: chain O residue 325 SER Chi-restraints excluded: chain O residue 326 ILE Chi-restraints excluded: chain O residue 327 ILE Chi-restraints excluded: chain O residue 329 GLU Chi-restraints excluded: chain O residue 331 ILE Chi-restraints excluded: chain O residue 333 ASP Chi-restraints excluded: chain O residue 338 TRP Chi-restraints excluded: chain O residue 339 ASP Chi-restraints excluded: chain O residue 342 LYS Chi-restraints excluded: chain O residue 343 HIS Chi-restraints excluded: chain O residue 349 LEU Chi-restraints excluded: chain O residue 351 THR Chi-restraints excluded: chain O residue 352 ILE Chi-restraints excluded: chain O residue 353 ILE Chi-restraints excluded: chain O residue 355 SER Chi-restraints excluded: chain O residue 359 VAL Chi-restraints excluded: chain O residue 367 LYS Chi-restraints excluded: chain O residue 370 ASP Chi-restraints excluded: chain O residue 371 ARG Chi-restraints excluded: chain O residue 373 SER Chi-restraints excluded: chain O residue 381 ILE Chi-restraints excluded: chain O residue 383 THR Chi-restraints excluded: chain O residue 384 ILE Chi-restraints excluded: chain O residue 385 LEU Chi-restraints excluded: chain O residue 387 SER Chi-restraints excluded: chain O residue 389 ILE Chi-restraints excluded: chain O residue 396 SER Chi-restraints excluded: chain O residue 398 VAL Chi-restraints excluded: chain O residue 400 VAL Chi-restraints excluded: chain O residue 406 HIS Chi-restraints excluded: chain O residue 407 LYS Chi-restraints excluded: chain O residue 408 TYR Chi-restraints excluded: chain O residue 411 VAL Chi-restraints excluded: chain O residue 413 LYS Chi-restraints excluded: chain O residue 414 GLN Chi-restraints excluded: chain O residue 425 ILE Chi-restraints excluded: chain O residue 428 GLU Chi-restraints excluded: chain O residue 431 VAL Chi-restraints excluded: chain O residue 443 ILE Chi-restraints excluded: chain O residue 447 TYR Chi-restraints excluded: chain O residue 452 THR Chi-restraints excluded: chain O residue 456 ASP Chi-restraints excluded: chain O residue 459 ILE Chi-restraints excluded: chain O residue 462 TYR Chi-restraints excluded: chain O residue 463 LEU Chi-restraints excluded: chain O residue 471 ILE Chi-restraints excluded: chain O residue 479 GLU Chi-restraints excluded: chain O residue 480 HIS Chi-restraints excluded: chain O residue 485 THR Chi-restraints excluded: chain O residue 487 PHE Chi-restraints excluded: chain O residue 494 PHE Chi-restraints excluded: chain O residue 496 PHE Chi-restraints excluded: chain O residue 497 LEU Chi-restraints excluded: chain O residue 499 GLN Chi-restraints excluded: chain O residue 501 ILE Chi-restraints excluded: chain O residue 516 ASN Chi-restraints excluded: chain O residue 524 TYR Chi-restraints excluded: chain O residue 528 ILE Chi-restraints excluded: chain O residue 535 TYR Chi-restraints excluded: chain O residue 536 GLU Chi-restraints excluded: chain O residue 539 VAL Chi-restraints excluded: chain O residue 544 ASP Chi-restraints excluded: chain O residue 549 ILE Chi-restraints excluded: chain O residue 559 THR Chi-restraints excluded: chain O residue 564 ILE Chi-restraints excluded: chain O residue 576 GLU Chi-restraints excluded: chain O residue 580 GLN Chi-restraints excluded: chain P residue 12 TYR Chi-restraints excluded: chain P residue 13 LYS Chi-restraints excluded: chain P residue 19 PHE Chi-restraints excluded: chain P residue 25 ASP Chi-restraints excluded: chain P residue 33 GLN Chi-restraints excluded: chain P residue 34 ASP Chi-restraints excluded: chain P residue 38 SER Chi-restraints excluded: chain P residue 40 LEU Chi-restraints excluded: chain P residue 41 SER Chi-restraints excluded: chain P residue 44 GLU Chi-restraints excluded: chain P residue 46 ASP Chi-restraints excluded: chain P residue 51 SER Chi-restraints excluded: chain P residue 58 THR Chi-restraints excluded: chain P residue 74 GLN Chi-restraints excluded: chain P residue 77 VAL Chi-restraints excluded: chain P residue 80 VAL Chi-restraints excluded: chain P residue 81 LEU Chi-restraints excluded: chain P residue 82 ARG Chi-restraints excluded: chain P residue 87 PHE Chi-restraints excluded: chain P residue 93 LYS Chi-restraints excluded: chain P residue 100 SER Chi-restraints excluded: chain P residue 101 MET Chi-restraints excluded: chain P residue 104 ARG Chi-restraints excluded: chain P residue 107 ILE Chi-restraints excluded: chain P residue 110 ARG Chi-restraints excluded: chain P residue 116 ASP Chi-restraints excluded: chain P residue 127 ARG Chi-restraints excluded: chain P residue 131 TYR Chi-restraints excluded: chain P residue 133 LYS Chi-restraints excluded: chain P residue 135 ARG Chi-restraints excluded: chain P residue 141 LEU Chi-restraints excluded: chain P residue 157 LYS Chi-restraints excluded: chain P residue 158 THR Chi-restraints excluded: chain P residue 162 LEU Chi-restraints excluded: chain P residue 164 VAL Chi-restraints excluded: chain P residue 166 LEU Chi-restraints excluded: chain P residue 167 SER Chi-restraints excluded: chain P residue 173 LYS Chi-restraints excluded: chain P residue 177 LYS Chi-restraints excluded: chain P residue 188 SER Chi-restraints excluded: chain P residue 193 LEU Chi-restraints excluded: chain P residue 199 LEU Chi-restraints excluded: chain P residue 203 ILE Chi-restraints excluded: chain P residue 204 ASP Chi-restraints excluded: chain P residue 208 THR Chi-restraints excluded: chain P residue 210 ARG Chi-restraints excluded: chain P residue 211 SER Chi-restraints excluded: chain P residue 217 ILE Chi-restraints excluded: chain P residue 218 LYS Chi-restraints excluded: chain P residue 219 LEU Chi-restraints excluded: chain P residue 221 ILE Chi-restraints excluded: chain P residue 230 ARG Chi-restraints excluded: chain P residue 236 PRO Chi-restraints excluded: chain P residue 239 ASN Chi-restraints excluded: chain P residue 242 LEU Chi-restraints excluded: chain P residue 245 LEU Chi-restraints excluded: chain P residue 247 VAL Chi-restraints excluded: chain P residue 249 ASN Chi-restraints excluded: chain P residue 254 ASN Chi-restraints excluded: chain P residue 256 PHE Chi-restraints excluded: chain P residue 258 LEU Chi-restraints excluded: chain P residue 266 THR Chi-restraints excluded: chain P residue 267 ARG Chi-restraints excluded: chain P residue 271 VAL Chi-restraints excluded: chain P residue 273 ASP Chi-restraints excluded: chain P residue 280 THR Chi-restraints excluded: chain P residue 281 THR Chi-restraints excluded: chain P residue 284 SER Chi-restraints excluded: chain P residue 288 HIS Chi-restraints excluded: chain P residue 290 MET Chi-restraints excluded: chain P residue 292 LEU Chi-restraints excluded: chain P residue 293 THR Chi-restraints excluded: chain P residue 297 VAL Chi-restraints excluded: chain P residue 299 SER Chi-restraints excluded: chain P residue 307 CYS Chi-restraints excluded: chain P residue 319 THR Chi-restraints excluded: chain P residue 321 PRO Chi-restraints excluded: chain P residue 322 ARG Chi-restraints excluded: chain P residue 323 ARG Chi-restraints excluded: chain P residue 324 LEU Chi-restraints excluded: chain P residue 325 SER Chi-restraints excluded: chain P residue 327 ILE Chi-restraints excluded: chain P residue 331 ILE Chi-restraints excluded: chain P residue 333 ASP Chi-restraints excluded: chain P residue 338 TRP Chi-restraints excluded: chain P residue 339 ASP Chi-restraints excluded: chain P residue 342 LYS Chi-restraints excluded: chain P residue 349 LEU Chi-restraints excluded: chain P residue 351 THR Chi-restraints excluded: chain P residue 352 ILE Chi-restraints excluded: chain P residue 353 ILE Chi-restraints excluded: chain P residue 359 VAL Chi-restraints excluded: chain P residue 370 ASP Chi-restraints excluded: chain P residue 373 SER Chi-restraints excluded: chain P residue 378 SER Chi-restraints excluded: chain P residue 381 ILE Chi-restraints excluded: chain P residue 383 THR Chi-restraints excluded: chain P residue 384 ILE Chi-restraints excluded: chain P residue 385 LEU Chi-restraints excluded: chain P residue 387 SER Chi-restraints excluded: chain P residue 397 ASP Chi-restraints excluded: chain P residue 398 VAL Chi-restraints excluded: chain P residue 406 HIS Chi-restraints excluded: chain P residue 407 LYS Chi-restraints excluded: chain P residue 408 TYR Chi-restraints excluded: chain P residue 413 LYS Chi-restraints excluded: chain P residue 419 THR Chi-restraints excluded: chain P residue 421 SER Chi-restraints excluded: chain P residue 428 GLU Chi-restraints excluded: chain P residue 431 VAL Chi-restraints excluded: chain P residue 447 TYR Chi-restraints excluded: chain P residue 452 THR Chi-restraints excluded: chain P residue 456 ASP Chi-restraints excluded: chain P residue 457 ASP Chi-restraints excluded: chain P residue 471 ILE Chi-restraints excluded: chain P residue 478 ILE Chi-restraints excluded: chain P residue 485 THR Chi-restraints excluded: chain P residue 490 VAL Chi-restraints excluded: chain P residue 494 PHE Chi-restraints excluded: chain P residue 496 PHE Chi-restraints excluded: chain P residue 497 LEU Chi-restraints excluded: chain P residue 499 GLN Chi-restraints excluded: chain P residue 501 ILE Chi-restraints excluded: chain P residue 528 ILE Chi-restraints excluded: chain P residue 533 PRO Chi-restraints excluded: chain P residue 535 TYR Chi-restraints excluded: chain P residue 536 GLU Chi-restraints excluded: chain P residue 539 VAL Chi-restraints excluded: chain P residue 544 ASP Chi-restraints excluded: chain P residue 549 ILE Chi-restraints excluded: chain P residue 559 THR Chi-restraints excluded: chain P residue 564 ILE Chi-restraints excluded: chain P residue 570 ASP Chi-restraints excluded: chain P residue 573 ILE Chi-restraints excluded: chain P residue 576 GLU Chi-restraints excluded: chain Q residue 11 GLN Chi-restraints excluded: chain Q residue 12 TYR Chi-restraints excluded: chain Q residue 13 LYS Chi-restraints excluded: chain Q residue 14 ASP Chi-restraints excluded: chain Q residue 15 ILE Chi-restraints excluded: chain Q residue 19 PHE Chi-restraints excluded: chain Q residue 24 VAL Chi-restraints excluded: chain Q residue 25 ASP Chi-restraints excluded: chain Q residue 26 ASN Chi-restraints excluded: chain Q residue 32 VAL Chi-restraints excluded: chain Q residue 33 GLN Chi-restraints excluded: chain Q residue 34 ASP Chi-restraints excluded: chain Q residue 35 MET Chi-restraints excluded: chain Q residue 38 SER Chi-restraints excluded: chain Q residue 39 ILE Chi-restraints excluded: chain Q residue 41 SER Chi-restraints excluded: chain Q residue 44 GLU Chi-restraints excluded: chain Q residue 50 MET Chi-restraints excluded: chain Q residue 51 SER Chi-restraints excluded: chain Q residue 56 SER Chi-restraints excluded: chain Q residue 58 THR Chi-restraints excluded: chain Q residue 65 LEU Chi-restraints excluded: chain Q residue 66 LEU Chi-restraints excluded: chain Q residue 77 VAL Chi-restraints excluded: chain Q residue 79 GLU Chi-restraints excluded: chain Q residue 80 VAL Chi-restraints excluded: chain Q residue 81 LEU Chi-restraints excluded: chain Q residue 82 ARG Chi-restraints excluded: chain Q residue 83 ILE Chi-restraints excluded: chain Q residue 85 TYR Chi-restraints excluded: chain Q residue 92 ILE Chi-restraints excluded: chain Q residue 94 THR Chi-restraints excluded: chain Q residue 97 ARG Chi-restraints excluded: chain Q residue 100 SER Chi-restraints excluded: chain Q residue 103 THR Chi-restraints excluded: chain Q residue 107 ILE Chi-restraints excluded: chain Q residue 110 ARG Chi-restraints excluded: chain Q residue 122 LYS Chi-restraints excluded: chain Q residue 127 ARG Chi-restraints excluded: chain Q residue 131 TYR Chi-restraints excluded: chain Q residue 135 ARG Chi-restraints excluded: chain Q residue 139 LEU Chi-restraints excluded: chain Q residue 141 LEU Chi-restraints excluded: chain Q residue 150 ASP Chi-restraints excluded: chain Q residue 153 LEU Chi-restraints excluded: chain Q residue 157 LYS Chi-restraints excluded: chain Q residue 158 THR Chi-restraints excluded: chain Q residue 160 VAL Chi-restraints excluded: chain Q residue 166 LEU Chi-restraints excluded: chain Q residue 167 SER Chi-restraints excluded: chain Q residue 181 LEU Chi-restraints excluded: chain Q residue 188 SER Chi-restraints excluded: chain Q residue 191 THR Chi-restraints excluded: chain Q residue 204 ASP Chi-restraints excluded: chain Q residue 208 THR Chi-restraints excluded: chain Q residue 217 ILE Chi-restraints excluded: chain Q residue 221 ILE Chi-restraints excluded: chain Q residue 225 GLN Chi-restraints excluded: chain Q residue 234 SER Chi-restraints excluded: chain Q residue 239 ASN Chi-restraints excluded: chain Q residue 246 ASN Chi-restraints excluded: chain Q residue 249 ASN Chi-restraints excluded: chain Q residue 251 LYS Chi-restraints excluded: chain Q residue 258 LEU Chi-restraints excluded: chain Q residue 262 ILE Chi-restraints excluded: chain Q residue 266 THR Chi-restraints excluded: chain Q residue 273 ASP Chi-restraints excluded: chain Q residue 274 PHE Chi-restraints excluded: chain Q residue 279 THR Chi-restraints excluded: chain Q residue 280 THR Chi-restraints excluded: chain Q residue 281 THR Chi-restraints excluded: chain Q residue 284 SER Chi-restraints excluded: chain Q residue 285 LEU Chi-restraints excluded: chain Q residue 288 HIS Chi-restraints excluded: chain Q residue 291 THR Chi-restraints excluded: chain Q residue 292 LEU Chi-restraints excluded: chain Q residue 293 THR Chi-restraints excluded: chain Q residue 298 LYS Chi-restraints excluded: chain Q residue 305 LEU Chi-restraints excluded: chain Q residue 319 THR Chi-restraints excluded: chain Q residue 321 PRO Chi-restraints excluded: chain Q residue 323 ARG Chi-restraints excluded: chain Q residue 324 LEU Chi-restraints excluded: chain Q residue 325 SER Chi-restraints excluded: chain Q residue 327 ILE Chi-restraints excluded: chain Q residue 329 GLU Chi-restraints excluded: chain Q residue 333 ASP Chi-restraints excluded: chain Q residue 338 TRP Chi-restraints excluded: chain Q residue 339 ASP Chi-restraints excluded: chain Q residue 351 THR Chi-restraints excluded: chain Q residue 352 ILE Chi-restraints excluded: chain Q residue 353 ILE Chi-restraints excluded: chain Q residue 359 VAL Chi-restraints excluded: chain Q residue 370 ASP Chi-restraints excluded: chain Q residue 371 ARG Chi-restraints excluded: chain Q residue 373 SER Chi-restraints excluded: chain Q residue 381 ILE Chi-restraints excluded: chain Q residue 383 THR Chi-restraints excluded: chain Q residue 384 ILE Chi-restraints excluded: chain Q residue 385 LEU Chi-restraints excluded: chain Q residue 387 SER Chi-restraints excluded: chain Q residue 389 ILE Chi-restraints excluded: chain Q residue 396 SER Chi-restraints excluded: chain Q residue 398 VAL Chi-restraints excluded: chain Q residue 400 VAL Chi-restraints excluded: chain Q residue 406 HIS Chi-restraints excluded: chain Q residue 407 LYS Chi-restraints excluded: chain Q residue 408 TYR Chi-restraints excluded: chain Q residue 411 VAL Chi-restraints excluded: chain Q residue 413 LYS Chi-restraints excluded: chain Q residue 414 GLN Chi-restraints excluded: chain Q residue 425 ILE Chi-restraints excluded: chain Q residue 431 VAL Chi-restraints excluded: chain Q residue 443 ILE Chi-restraints excluded: chain Q residue 447 TYR Chi-restraints excluded: chain Q residue 452 THR Chi-restraints excluded: chain Q residue 456 ASP Chi-restraints excluded: chain Q residue 462 TYR Chi-restraints excluded: chain Q residue 463 LEU Chi-restraints excluded: chain Q residue 471 ILE Chi-restraints excluded: chain Q residue 479 GLU Chi-restraints excluded: chain Q residue 480 HIS Chi-restraints excluded: chain Q residue 485 THR Chi-restraints excluded: chain Q residue 487 PHE Chi-restraints excluded: chain Q residue 489 MET Chi-restraints excluded: chain Q residue 494 PHE Chi-restraints excluded: chain Q residue 497 LEU Chi-restraints excluded: chain Q residue 499 GLN Chi-restraints excluded: chain Q residue 501 ILE Chi-restraints excluded: chain Q residue 516 ASN Chi-restraints excluded: chain Q residue 524 TYR Chi-restraints excluded: chain Q residue 528 ILE Chi-restraints excluded: chain Q residue 536 GLU Chi-restraints excluded: chain Q residue 539 VAL Chi-restraints excluded: chain Q residue 544 ASP Chi-restraints excluded: chain Q residue 549 ILE Chi-restraints excluded: chain Q residue 559 THR Chi-restraints excluded: chain Q residue 564 ILE Chi-restraints excluded: chain Q residue 576 GLU Chi-restraints excluded: chain Q residue 580 GLN Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 7.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 345 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 414 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 98 GLN ** G 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 109 GLN ** K 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 47 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 414 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 239 ASN ** Q 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 414 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 3 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7997 moved from start: 1.7551 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.040 0.336 113878 Z= 2.413 Angle : 2.879 36.045 154904 Z= 1.378 Chirality : 0.116 0.897 19294 Planarity : 0.016 0.142 20033 Dihedral : 16.635 172.643 18232 Min Nonbonded Distance : 1.886 Molprobity Statistics. All-atom Clashscore : 100.99 Ramachandran Plot: Outliers : 1.69 % Allowed : 40.35 % Favored : 57.96 % Rotamer: Outliers : 29.53 % Allowed : 29.12 % Favored : 41.35 % Cbeta Deviations : 0.39 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.22 % Twisted Proline : 7.00 % Twisted General : 5.05 % 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: -7.58 (0.06), residues: 8464 helix: -4.82 (0.04), residues: 4720 sheet: -5.25 (0.11), residues: 528 loop : -5.08 (0.09), residues: 3216 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.054 0.010 TRP C 207 HIS 0.029 0.009 HIS H 440 PHE 0.095 0.010 PHE H 87 TYR 0.072 0.009 TYR C 462 ARG 0.031 0.004 ARG L 82 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 16928 Ramachandran restraints generated. 8464 Oldfield, 0 Emsley, 8464 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 16928 Ramachandran restraints generated. 8464 Oldfield, 0 Emsley, 8464 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3072 residues out of total 8256 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2362 poor density : 710 time to evaluate : 7.564 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 101 MET cc_start: 0.8754 (OUTLIER) cc_final: 0.8203 (tpt) REVERT: A 104 ARG cc_start: 0.9128 (OUTLIER) cc_final: 0.8658 (mtm110) REVERT: A 110 ARG cc_start: 0.9458 (OUTLIER) cc_final: 0.9039 (ttm-80) REVERT: A 131 TYR cc_start: 0.9483 (OUTLIER) cc_final: 0.8719 (t80) REVERT: A 157 LYS cc_start: 0.6546 (OUTLIER) cc_final: 0.4070 (pttm) REVERT: A 249 ASN cc_start: 0.9127 (OUTLIER) cc_final: 0.8882 (p0) REVERT: A 327 ILE cc_start: 0.9431 (OUTLIER) cc_final: 0.9076 (mt) REVERT: A 476 LYS cc_start: 0.7925 (OUTLIER) cc_final: 0.7692 (mmtm) REVERT: A 480 HIS cc_start: 0.8040 (OUTLIER) cc_final: 0.7753 (p-80) REVERT: A 496 PHE cc_start: -0.0678 (OUTLIER) cc_final: -0.0939 (m-80) REVERT: A 516 ASN cc_start: 0.6888 (OUTLIER) cc_final: 0.6653 (m-40) REVERT: C 12 TYR cc_start: 0.9352 (OUTLIER) cc_final: 0.8332 (t80) REVERT: C 33 GLN cc_start: 0.7487 (OUTLIER) cc_final: 0.6122 (pp30) REVERT: C 65 LEU cc_start: 0.9167 (OUTLIER) cc_final: 0.8683 (tp) REVERT: C 110 ARG cc_start: 0.9482 (OUTLIER) cc_final: 0.8491 (ttm-80) REVERT: C 169 LYS cc_start: 0.9356 (OUTLIER) cc_final: 0.8993 (ttmm) REVERT: C 181 LEU cc_start: 0.9475 (OUTLIER) cc_final: 0.9175 (mp) REVERT: C 249 ASN cc_start: 0.9130 (OUTLIER) cc_final: 0.8905 (p0) REVERT: C 339 ASP cc_start: 0.8560 (OUTLIER) cc_final: 0.8351 (p0) REVERT: C 364 GLU cc_start: 0.8526 (tt0) cc_final: 0.7886 (tp30) REVERT: C 371 ARG cc_start: 0.7482 (OUTLIER) cc_final: 0.6955 (mmm160) REVERT: C 430 LYS cc_start: 0.8672 (tttm) cc_final: 0.8331 (tptm) REVERT: C 462 TYR cc_start: 0.6361 (OUTLIER) cc_final: 0.4903 (m-10) REVERT: C 480 HIS cc_start: 0.8098 (OUTLIER) cc_final: 0.7753 (p-80) REVERT: C 496 PHE cc_start: 0.0288 (OUTLIER) cc_final: -0.0079 (m-80) REVERT: C 524 TYR cc_start: 0.8475 (OUTLIER) cc_final: 0.8232 (m-80) REVERT: C 580 GLN cc_start: 0.8040 (OUTLIER) cc_final: 0.7555 (mm110) REVERT: D 20 GLU cc_start: 0.9055 (OUTLIER) cc_final: 0.8458 (pp20) REVERT: D 101 MET cc_start: 0.8709 (OUTLIER) cc_final: 0.8291 (tpt) REVERT: D 104 ARG cc_start: 0.9125 (OUTLIER) cc_final: 0.8842 (mtm110) REVERT: D 110 ARG cc_start: 0.9461 (OUTLIER) cc_final: 0.9076 (ttm-80) REVERT: D 131 TYR cc_start: 0.9474 (OUTLIER) cc_final: 0.8697 (t80) REVERT: D 267 ARG cc_start: 0.9091 (OUTLIER) cc_final: 0.8434 (ttt180) REVERT: D 327 ILE cc_start: 0.9478 (OUTLIER) cc_final: 0.9106 (mt) REVERT: D 476 LYS cc_start: 0.7885 (OUTLIER) cc_final: 0.7637 (mmtm) REVERT: D 480 HIS cc_start: 0.8052 (OUTLIER) cc_final: 0.7764 (p-80) REVERT: D 496 PHE cc_start: -0.0656 (OUTLIER) cc_final: -0.0918 (m-80) REVERT: D 516 ASN cc_start: 0.6947 (OUTLIER) cc_final: 0.6714 (m-40) REVERT: E 12 TYR cc_start: 0.9328 (OUTLIER) cc_final: 0.8600 (t80) REVERT: E 33 GLN cc_start: 0.7885 (OUTLIER) cc_final: 0.6495 (pp30) REVERT: E 65 LEU cc_start: 0.9169 (OUTLIER) cc_final: 0.8661 (tp) REVERT: E 110 ARG cc_start: 0.9434 (OUTLIER) cc_final: 0.8374 (ttm-80) REVERT: E 169 LYS cc_start: 0.9358 (OUTLIER) cc_final: 0.8993 (ttmm) REVERT: E 181 LEU cc_start: 0.9493 (OUTLIER) cc_final: 0.9229 (mp) REVERT: E 249 ASN cc_start: 0.9107 (OUTLIER) cc_final: 0.8901 (p0) REVERT: E 364 GLU cc_start: 0.8522 (tt0) cc_final: 0.7914 (tp30) REVERT: E 371 ARG cc_start: 0.7406 (OUTLIER) cc_final: 0.6210 (mmm160) REVERT: E 480 HIS cc_start: 0.8316 (OUTLIER) cc_final: 0.7977 (p-80) REVERT: E 487 PHE cc_start: 0.7925 (OUTLIER) cc_final: 0.7677 (t80) REVERT: E 494 PHE cc_start: 0.6285 (OUTLIER) cc_final: 0.5294 (m-10) REVERT: E 496 PHE cc_start: 0.0520 (OUTLIER) cc_final: 0.0085 (m-80) REVERT: E 580 GLN cc_start: 0.8106 (OUTLIER) cc_final: 0.7633 (mm110) REVERT: F 20 GLU cc_start: 0.9109 (OUTLIER) cc_final: 0.8565 (pp20) REVERT: F 35 MET cc_start: 0.8395 (OUTLIER) cc_final: 0.8092 (pmm) REVERT: F 74 GLN cc_start: 0.9418 (OUTLIER) cc_final: 0.9133 (tp40) REVERT: F 101 MET cc_start: 0.8729 (OUTLIER) cc_final: 0.8338 (tpt) REVERT: F 104 ARG cc_start: 0.9157 (OUTLIER) cc_final: 0.8867 (mtm110) REVERT: F 110 ARG cc_start: 0.9457 (OUTLIER) cc_final: 0.9064 (ttm-80) REVERT: F 131 TYR cc_start: 0.9476 (OUTLIER) cc_final: 0.8692 (t80) REVERT: F 249 ASN cc_start: 0.9088 (OUTLIER) cc_final: 0.8832 (p0) REVERT: F 267 ARG cc_start: 0.9085 (OUTLIER) cc_final: 0.8438 (ttt180) REVERT: F 327 ILE cc_start: 0.9476 (OUTLIER) cc_final: 0.9101 (mt) REVERT: F 447 TYR cc_start: 0.7775 (OUTLIER) cc_final: 0.7132 (t80) REVERT: F 480 HIS cc_start: 0.8093 (OUTLIER) cc_final: 0.7756 (p-80) REVERT: F 496 PHE cc_start: -0.0663 (OUTLIER) cc_final: -0.0927 (m-80) REVERT: F 516 ASN cc_start: 0.6939 (OUTLIER) cc_final: 0.6700 (m-40) REVERT: G 12 TYR cc_start: 0.9365 (OUTLIER) cc_final: 0.8588 (t80) REVERT: G 33 GLN cc_start: 0.7862 (OUTLIER) cc_final: 0.6801 (pt0) REVERT: G 65 LEU cc_start: 0.9171 (OUTLIER) cc_final: 0.8679 (tp) REVERT: G 110 ARG cc_start: 0.9461 (OUTLIER) cc_final: 0.8445 (ttm-80) REVERT: G 169 LYS cc_start: 0.9344 (OUTLIER) cc_final: 0.8985 (ttmm) REVERT: G 181 LEU cc_start: 0.9479 (OUTLIER) cc_final: 0.9201 (mp) REVERT: G 249 ASN cc_start: 0.9125 (OUTLIER) cc_final: 0.8893 (p0) REVERT: G 339 ASP cc_start: 0.8561 (OUTLIER) cc_final: 0.8344 (p0) REVERT: G 371 ARG cc_start: 0.7427 (OUTLIER) cc_final: 0.6221 (mmm160) REVERT: G 430 LYS cc_start: 0.8752 (tttm) cc_final: 0.8295 (tptm) REVERT: G 480 HIS cc_start: 0.8226 (OUTLIER) cc_final: 0.7909 (p-80) REVERT: G 487 PHE cc_start: 0.7696 (OUTLIER) cc_final: 0.7226 (t80) REVERT: G 494 PHE cc_start: 0.6335 (OUTLIER) cc_final: 0.5351 (m-10) REVERT: G 496 PHE cc_start: 0.0383 (OUTLIER) cc_final: -0.0035 (m-80) REVERT: G 524 TYR cc_start: 0.8382 (OUTLIER) cc_final: 0.8087 (m-10) REVERT: G 535 TYR cc_start: 0.8460 (OUTLIER) cc_final: 0.8257 (t80) REVERT: G 580 GLN cc_start: 0.8105 (OUTLIER) cc_final: 0.7630 (mm110) REVERT: H 12 TYR cc_start: 0.9261 (OUTLIER) cc_final: 0.7838 (t80) REVERT: H 20 GLU cc_start: 0.9078 (OUTLIER) cc_final: 0.8323 (pp20) REVERT: H 35 MET cc_start: 0.8411 (OUTLIER) cc_final: 0.8041 (pmm) REVERT: H 76 PHE cc_start: 0.9457 (OUTLIER) cc_final: 0.9238 (t80) REVERT: H 101 MET cc_start: 0.8713 (OUTLIER) cc_final: 0.8309 (tpt) REVERT: H 104 ARG cc_start: 0.9156 (OUTLIER) cc_final: 0.8864 (mtm110) REVERT: H 110 ARG cc_start: 0.9457 (OUTLIER) cc_final: 0.9048 (ttm-80) REVERT: H 127 ARG cc_start: 0.9335 (OUTLIER) cc_final: 0.8727 (mtp180) REVERT: H 131 TYR cc_start: 0.9477 (OUTLIER) cc_final: 0.8697 (t80) REVERT: H 133 LYS cc_start: 0.9120 (OUTLIER) cc_final: 0.8731 (tptt) REVERT: H 210 ARG cc_start: 0.8612 (OUTLIER) cc_final: 0.7852 (tmm160) REVERT: H 249 ASN cc_start: 0.9095 (OUTLIER) cc_final: 0.8843 (p0) REVERT: H 267 ARG cc_start: 0.9098 (OUTLIER) cc_final: 0.8469 (ttt180) REVERT: H 327 ILE cc_start: 0.9483 (OUTLIER) cc_final: 0.9097 (mt) REVERT: H 430 LYS cc_start: 0.8753 (tmtt) cc_final: 0.8547 (tmtt) REVERT: H 476 LYS cc_start: 0.8099 (OUTLIER) cc_final: 0.7700 (mmtm) REVERT: H 480 HIS cc_start: 0.8255 (OUTLIER) cc_final: 0.7952 (p-80) REVERT: H 496 PHE cc_start: -0.0648 (OUTLIER) cc_final: -0.0914 (m-80) REVERT: H 516 ASN cc_start: 0.6947 (OUTLIER) cc_final: 0.6729 (m-40) REVERT: I 12 TYR cc_start: 0.9315 (OUTLIER) cc_final: 0.8652 (t80) REVERT: I 33 GLN cc_start: 0.7863 (OUTLIER) cc_final: 0.6412 (pp30) REVERT: I 56 SER cc_start: 0.9583 (OUTLIER) cc_final: 0.9343 (t) REVERT: I 65 LEU cc_start: 0.9166 (OUTLIER) cc_final: 0.8662 (tp) REVERT: I 110 ARG cc_start: 0.9464 (OUTLIER) cc_final: 0.8463 (ttm-80) REVERT: I 169 LYS cc_start: 0.9361 (OUTLIER) cc_final: 0.9014 (ttmm) REVERT: I 181 LEU cc_start: 0.9476 (OUTLIER) cc_final: 0.9215 (mp) REVERT: I 249 ASN cc_start: 0.9151 (OUTLIER) cc_final: 0.8922 (p0) REVERT: I 339 ASP cc_start: 0.8557 (OUTLIER) cc_final: 0.8349 (p0) REVERT: I 364 GLU cc_start: 0.8563 (tt0) cc_final: 0.7942 (tp30) REVERT: I 371 ARG cc_start: 0.7451 (OUTLIER) cc_final: 0.6240 (mmm160) REVERT: I 480 HIS cc_start: 0.8310 (OUTLIER) cc_final: 0.7976 (p-80) REVERT: I 487 PHE cc_start: 0.7924 (OUTLIER) cc_final: 0.7712 (t80) REVERT: I 494 PHE cc_start: 0.6297 (OUTLIER) cc_final: 0.5312 (m-10) REVERT: I 496 PHE cc_start: 0.0531 (OUTLIER) cc_final: 0.0098 (m-80) REVERT: I 580 GLN cc_start: 0.8093 (OUTLIER) cc_final: 0.7597 (mm110) REVERT: J 12 TYR cc_start: 0.9257 (OUTLIER) cc_final: 0.7866 (t80) REVERT: J 20 GLU cc_start: 0.9074 (OUTLIER) cc_final: 0.8328 (pp20) REVERT: J 35 MET cc_start: 0.8434 (OUTLIER) cc_final: 0.8086 (pmm) REVERT: J 101 MET cc_start: 0.8693 (OUTLIER) cc_final: 0.8299 (tpt) REVERT: J 104 ARG cc_start: 0.9116 (OUTLIER) cc_final: 0.8838 (mtm110) REVERT: J 110 ARG cc_start: 0.9472 (OUTLIER) cc_final: 0.9058 (ttm-80) REVERT: J 127 ARG cc_start: 0.9345 (OUTLIER) cc_final: 0.8764 (mtp180) REVERT: J 131 TYR cc_start: 0.9488 (OUTLIER) cc_final: 0.8716 (t80) REVERT: J 133 LYS cc_start: 0.9116 (OUTLIER) cc_final: 0.8700 (tptt) REVERT: J 251 LYS cc_start: 0.9377 (OUTLIER) cc_final: 0.9061 (ttmt) REVERT: J 267 ARG cc_start: 0.9091 (OUTLIER) cc_final: 0.8426 (ttt180) REVERT: J 327 ILE cc_start: 0.9473 (OUTLIER) cc_final: 0.9083 (mt) REVERT: J 447 TYR cc_start: 0.7765 (OUTLIER) cc_final: 0.7117 (t80) REVERT: J 476 LYS cc_start: 0.8207 (OUTLIER) cc_final: 0.7829 (mmtm) REVERT: J 480 HIS cc_start: 0.8350 (OUTLIER) cc_final: 0.8002 (p-80) REVERT: J 496 PHE cc_start: -0.0634 (OUTLIER) cc_final: -0.0905 (m-80) REVERT: J 522 LYS cc_start: 0.8874 (OUTLIER) cc_final: 0.8596 (mmmt) REVERT: K 12 TYR cc_start: 0.9327 (OUTLIER) cc_final: 0.8587 (t80) REVERT: K 33 GLN cc_start: 0.7854 (OUTLIER) cc_final: 0.6489 (pp30) REVERT: K 56 SER cc_start: 0.9620 (OUTLIER) cc_final: 0.9370 (t) REVERT: K 65 LEU cc_start: 0.9154 (OUTLIER) cc_final: 0.8684 (tp) REVERT: K 85 TYR cc_start: 0.9104 (OUTLIER) cc_final: 0.8647 (m-80) REVERT: K 97 ARG cc_start: 0.9197 (OUTLIER) cc_final: 0.8646 (mtt90) REVERT: K 110 ARG cc_start: 0.9413 (OUTLIER) cc_final: 0.8379 (ttm-80) REVERT: K 135 ARG cc_start: 0.9431 (OUTLIER) cc_final: 0.8366 (ttm-80) REVERT: K 169 LYS cc_start: 0.9364 (OUTLIER) cc_final: 0.8988 (ttmm) REVERT: K 181 LEU cc_start: 0.9481 (OUTLIER) cc_final: 0.9228 (mp) REVERT: K 371 ARG cc_start: 0.7404 (OUTLIER) cc_final: 0.6834 (mmm160) REVERT: K 480 HIS cc_start: 0.8272 (OUTLIER) cc_final: 0.7955 (p-80) REVERT: K 487 PHE cc_start: 0.7899 (OUTLIER) cc_final: 0.7607 (t80) REVERT: K 494 PHE cc_start: 0.6301 (OUTLIER) cc_final: 0.5306 (m-10) REVERT: K 496 PHE cc_start: 0.0455 (OUTLIER) cc_final: 0.0015 (m-80) REVERT: K 535 TYR cc_start: 0.8512 (OUTLIER) cc_final: 0.8306 (t80) REVERT: K 580 GLN cc_start: 0.8090 (OUTLIER) cc_final: 0.7594 (mm110) REVERT: L 12 TYR cc_start: 0.9210 (OUTLIER) cc_final: 0.7720 (t80) REVERT: L 20 GLU cc_start: 0.9067 (OUTLIER) cc_final: 0.8445 (pm20) REVERT: L 101 MET cc_start: 0.8757 (OUTLIER) cc_final: 0.8195 (tpt) REVERT: L 104 ARG cc_start: 0.9150 (OUTLIER) cc_final: 0.8691 (mtm110) REVERT: L 110 ARG cc_start: 0.9470 (OUTLIER) cc_final: 0.9037 (ttm-80) REVERT: L 127 ARG cc_start: 0.9351 (OUTLIER) cc_final: 0.8750 (mtp180) REVERT: L 131 TYR cc_start: 0.9484 (OUTLIER) cc_final: 0.8761 (t80) REVERT: L 133 LYS cc_start: 0.9110 (OUTLIER) cc_final: 0.8706 (tptt) REVERT: L 210 ARG cc_start: 0.8625 (OUTLIER) cc_final: 0.7869 (tmm160) REVERT: L 249 ASN cc_start: 0.9097 (OUTLIER) cc_final: 0.8786 (p0) REVERT: L 267 ARG cc_start: 0.9096 (OUTLIER) cc_final: 0.8477 (ttt180) REVERT: L 327 ILE cc_start: 0.9469 (OUTLIER) cc_final: 0.9075 (mt) REVERT: L 430 LYS cc_start: 0.8763 (tmtt) cc_final: 0.8541 (tmtt) REVERT: L 480 HIS cc_start: 0.8346 (OUTLIER) cc_final: 0.8005 (p-80) REVERT: L 496 PHE cc_start: -0.0650 (OUTLIER) cc_final: -0.0924 (m-80) REVERT: L 516 ASN cc_start: 0.7026 (OUTLIER) cc_final: 0.6806 (m-40) REVERT: M 12 TYR cc_start: 0.9338 (OUTLIER) cc_final: 0.8532 (t80) REVERT: M 33 GLN cc_start: 0.7870 (OUTLIER) cc_final: 0.6494 (pp30) REVERT: M 65 LEU cc_start: 0.9169 (OUTLIER) cc_final: 0.8663 (tp) REVERT: M 85 TYR cc_start: 0.9098 (OUTLIER) cc_final: 0.8604 (m-80) REVERT: M 110 ARG cc_start: 0.9454 (OUTLIER) cc_final: 0.8458 (ttm-80) REVERT: M 169 LYS cc_start: 0.9350 (OUTLIER) cc_final: 0.8968 (ttmm) REVERT: M 371 ARG cc_start: 0.7557 (OUTLIER) cc_final: 0.7003 (mmm160) REVERT: M 430 LYS cc_start: 0.8702 (tttm) cc_final: 0.8380 (tttm) REVERT: M 480 HIS cc_start: 0.8252 (OUTLIER) cc_final: 0.7938 (p-80) REVERT: M 496 PHE cc_start: 0.0519 (OUTLIER) cc_final: 0.0100 (m-80) REVERT: M 535 TYR cc_start: 0.8501 (OUTLIER) cc_final: 0.8291 (t80) REVERT: M 580 GLN cc_start: 0.8110 (OUTLIER) cc_final: 0.7639 (mm110) REVERT: N 20 GLU cc_start: 0.9102 (OUTLIER) cc_final: 0.8544 (pp20) REVERT: N 101 MET cc_start: 0.8680 (OUTLIER) cc_final: 0.8285 (tpt) REVERT: N 104 ARG cc_start: 0.9121 (OUTLIER) cc_final: 0.8829 (mtm110) REVERT: N 110 ARG cc_start: 0.9455 (OUTLIER) cc_final: 0.9050 (ttm-80) REVERT: N 131 TYR cc_start: 0.9488 (OUTLIER) cc_final: 0.8714 (t80) REVERT: N 133 LYS cc_start: 0.9116 (OUTLIER) cc_final: 0.8779 (tptt) REVERT: N 249 ASN cc_start: 0.9114 (OUTLIER) cc_final: 0.8909 (p0) REVERT: N 267 ARG cc_start: 0.9182 (OUTLIER) cc_final: 0.8685 (ttt180) REVERT: N 327 ILE cc_start: 0.9478 (OUTLIER) cc_final: 0.9097 (mt) REVERT: N 332 ARG cc_start: 0.8529 (OUTLIER) cc_final: 0.8212 (tmm-80) REVERT: N 476 LYS cc_start: 0.8103 (OUTLIER) cc_final: 0.7756 (mmtm) REVERT: N 480 HIS cc_start: 0.8058 (OUTLIER) cc_final: 0.7765 (p-80) REVERT: N 496 PHE cc_start: -0.0662 (OUTLIER) cc_final: -0.0934 (m-80) REVERT: N 516 ASN cc_start: 0.6987 (OUTLIER) cc_final: 0.6765 (m-40) REVERT: O 12 TYR cc_start: 0.9317 (OUTLIER) cc_final: 0.8625 (t80) REVERT: O 33 GLN cc_start: 0.7864 (OUTLIER) cc_final: 0.6506 (pp30) REVERT: O 56 SER cc_start: 0.9620 (OUTLIER) cc_final: 0.9358 (t) REVERT: O 65 LEU cc_start: 0.9167 (OUTLIER) cc_final: 0.8657 (tp) REVERT: O 85 TYR cc_start: 0.9111 (OUTLIER) cc_final: 0.8681 (m-10) REVERT: O 87 PHE cc_start: 0.5405 (OUTLIER) cc_final: 0.5112 (m-80) REVERT: O 110 ARG cc_start: 0.9455 (OUTLIER) cc_final: 0.8460 (ttm-80) REVERT: O 169 LYS cc_start: 0.9363 (OUTLIER) cc_final: 0.8987 (ttmm) REVERT: O 181 LEU cc_start: 0.9481 (OUTLIER) cc_final: 0.9229 (mp) REVERT: O 339 ASP cc_start: 0.8569 (OUTLIER) cc_final: 0.8357 (p0) REVERT: O 364 GLU cc_start: 0.8475 (tt0) cc_final: 0.7888 (tp30) REVERT: O 371 ARG cc_start: 0.7507 (OUTLIER) cc_final: 0.6942 (mmm160) REVERT: O 430 LYS cc_start: 0.8700 (tttm) cc_final: 0.8395 (tttm) REVERT: O 480 HIS cc_start: 0.8158 (OUTLIER) cc_final: 0.7884 (p-80) REVERT: O 487 PHE cc_start: 0.7696 (OUTLIER) cc_final: 0.7249 (t80) REVERT: O 496 PHE cc_start: 0.0400 (OUTLIER) cc_final: 0.0002 (m-80) REVERT: O 524 TYR cc_start: 0.8369 (OUTLIER) cc_final: 0.8069 (m-10) REVERT: O 580 GLN cc_start: 0.8111 (OUTLIER) cc_final: 0.7641 (mm110) REVERT: P 74 GLN cc_start: 0.9455 (OUTLIER) cc_final: 0.9201 (tp40) REVERT: P 101 MET cc_start: 0.8736 (OUTLIER) cc_final: 0.8310 (tpt) REVERT: P 104 ARG cc_start: 0.9157 (OUTLIER) cc_final: 0.8855 (mtm110) REVERT: P 110 ARG cc_start: 0.9470 (OUTLIER) cc_final: 0.9066 (ttm-80) REVERT: P 131 TYR cc_start: 0.9486 (OUTLIER) cc_final: 0.8708 (t80) REVERT: P 133 LYS cc_start: 0.9124 (OUTLIER) cc_final: 0.8764 (tptt) REVERT: P 249 ASN cc_start: 0.9114 (OUTLIER) cc_final: 0.8898 (p0) REVERT: P 267 ARG cc_start: 0.9179 (OUTLIER) cc_final: 0.8670 (ttt180) REVERT: P 327 ILE cc_start: 0.9479 (OUTLIER) cc_final: 0.9099 (mt) REVERT: P 430 LYS cc_start: 0.8754 (tmtt) cc_final: 0.8525 (tmtt) REVERT: P 447 TYR cc_start: 0.7790 (OUTLIER) cc_final: 0.7154 (t80) REVERT: P 476 LYS cc_start: 0.8147 (OUTLIER) cc_final: 0.7869 (mmtm) REVERT: P 480 HIS cc_start: 0.8095 (OUTLIER) cc_final: 0.7765 (p-80) REVERT: P 496 PHE cc_start: -0.0668 (OUTLIER) cc_final: -0.0936 (m-80) REVERT: Q 12 TYR cc_start: 0.9371 (OUTLIER) cc_final: 0.8512 (t80) REVERT: Q 33 GLN cc_start: 0.7862 (OUTLIER) cc_final: 0.6503 (pp30) REVERT: Q 56 SER cc_start: 0.9613 (OUTLIER) cc_final: 0.9353 (t) REVERT: Q 65 LEU cc_start: 0.9161 (OUTLIER) cc_final: 0.8671 (tp) REVERT: Q 85 TYR cc_start: 0.9094 (OUTLIER) cc_final: 0.8591 (m-80) REVERT: Q 98 GLN cc_start: 0.8819 (mm-40) cc_final: 0.8367 (mm-40) REVERT: Q 110 ARG cc_start: 0.9457 (OUTLIER) cc_final: 0.8465 (ttm-80) REVERT: Q 169 LYS cc_start: 0.9356 (OUTLIER) cc_final: 0.8982 (ttmm) REVERT: Q 181 LEU cc_start: 0.9469 (OUTLIER) cc_final: 0.9197 (mp) REVERT: Q 249 ASN cc_start: 0.9123 (OUTLIER) cc_final: 0.8916 (p0) REVERT: Q 364 GLU cc_start: 0.8566 (tt0) cc_final: 0.7952 (tp30) REVERT: Q 371 ARG cc_start: 0.7459 (OUTLIER) cc_final: 0.6910 (mmm160) REVERT: Q 480 HIS cc_start: 0.8159 (OUTLIER) cc_final: 0.7886 (p-80) REVERT: Q 487 PHE cc_start: 0.7814 (OUTLIER) cc_final: 0.7365 (t80) REVERT: Q 494 PHE cc_start: 0.6348 (OUTLIER) cc_final: 0.5424 (m-10) REVERT: Q 580 GLN cc_start: 0.8098 (OUTLIER) cc_final: 0.7544 (mm-40) outliers start: 2362 outliers final: 2003 residues processed: 2881 average time/residue: 0.9096 time to fit residues: 4573.8763 Evaluate side-chains 2910 residues out of total 8256 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2232 poor density : 678 time to evaluate : 7.518 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Chi-restraints excluded: chain A residue 12 TYR Chi-restraints excluded: chain A residue 13 LYS Chi-restraints excluded: chain A residue 19 PHE Chi-restraints excluded: chain A residue 25 ASP Chi-restraints excluded: chain A residue 33 GLN Chi-restraints excluded: chain A residue 34 ASP Chi-restraints excluded: chain A residue 38 SER Chi-restraints excluded: chain A residue 40 LEU Chi-restraints excluded: chain A residue 41 SER Chi-restraints excluded: chain A residue 44 GLU Chi-restraints excluded: chain A residue 46 ASP Chi-restraints excluded: chain A residue 51 SER Chi-restraints excluded: chain A residue 58 THR Chi-restraints excluded: chain A residue 77 VAL Chi-restraints excluded: chain A residue 80 VAL Chi-restraints excluded: chain A residue 82 ARG Chi-restraints excluded: chain A residue 89 MET Chi-restraints excluded: chain A residue 92 ILE Chi-restraints excluded: chain A residue 93 LYS Chi-restraints excluded: chain A residue 100 SER Chi-restraints excluded: chain A residue 101 MET Chi-restraints excluded: chain A residue 104 ARG Chi-restraints excluded: chain A residue 107 ILE Chi-restraints excluded: chain A residue 110 ARG Chi-restraints excluded: chain A residue 116 ASP Chi-restraints excluded: chain A residue 124 ASN Chi-restraints excluded: chain A residue 126 SER Chi-restraints excluded: chain A residue 131 TYR Chi-restraints excluded: chain A residue 135 ARG Chi-restraints excluded: chain A residue 141 LEU Chi-restraints excluded: chain A residue 157 LYS Chi-restraints excluded: chain A residue 158 THR Chi-restraints excluded: chain A residue 162 LEU Chi-restraints excluded: chain A residue 164 VAL Chi-restraints excluded: chain A residue 166 LEU Chi-restraints excluded: chain A residue 167 SER Chi-restraints excluded: chain A residue 173 LYS Chi-restraints excluded: chain A residue 177 LYS Chi-restraints excluded: chain A residue 179 PHE Chi-restraints excluded: chain A residue 188 SER Chi-restraints excluded: chain A residue 193 LEU Chi-restraints excluded: chain A residue 199 LEU Chi-restraints excluded: chain A residue 203 ILE Chi-restraints excluded: chain A residue 204 ASP Chi-restraints excluded: chain A residue 208 THR Chi-restraints excluded: chain A residue 211 SER Chi-restraints excluded: chain A residue 217 ILE Chi-restraints excluded: chain A residue 218 LYS Chi-restraints excluded: chain A residue 221 ILE Chi-restraints excluded: chain A residue 230 ARG Chi-restraints excluded: chain A residue 239 ASN Chi-restraints excluded: chain A residue 242 LEU Chi-restraints excluded: chain A residue 247 VAL Chi-restraints excluded: chain A residue 249 ASN Chi-restraints excluded: chain A residue 254 ASN Chi-restraints excluded: chain A residue 256 PHE Chi-restraints excluded: chain A residue 258 LEU Chi-restraints excluded: chain A residue 266 THR Chi-restraints excluded: chain A residue 271 VAL Chi-restraints excluded: chain A residue 273 ASP Chi-restraints excluded: chain A residue 279 THR Chi-restraints excluded: chain A residue 280 THR Chi-restraints excluded: chain A residue 281 THR Chi-restraints excluded: chain A residue 285 LEU Chi-restraints excluded: chain A residue 288 HIS Chi-restraints excluded: chain A residue 290 MET Chi-restraints excluded: chain A residue 292 LEU Chi-restraints excluded: chain A residue 293 THR Chi-restraints excluded: chain A residue 297 VAL Chi-restraints excluded: chain A residue 299 SER Chi-restraints excluded: chain A residue 307 CYS Chi-restraints excluded: chain A residue 319 THR Chi-restraints excluded: chain A residue 321 PRO Chi-restraints excluded: chain A residue 322 ARG Chi-restraints excluded: chain A residue 323 ARG Chi-restraints excluded: chain A residue 327 ILE Chi-restraints excluded: chain A residue 331 ILE Chi-restraints excluded: chain A residue 333 ASP Chi-restraints excluded: chain A residue 338 TRP Chi-restraints excluded: chain A residue 339 ASP Chi-restraints excluded: chain A residue 342 LYS Chi-restraints excluded: chain A residue 349 LEU Chi-restraints excluded: chain A residue 351 THR Chi-restraints excluded: chain A residue 352 ILE Chi-restraints excluded: chain A residue 353 ILE Chi-restraints excluded: chain A residue 367 LYS Chi-restraints excluded: chain A residue 370 ASP Chi-restraints excluded: chain A residue 373 SER Chi-restraints excluded: chain A residue 378 SER Chi-restraints excluded: chain A residue 381 ILE Chi-restraints excluded: chain A residue 383 THR Chi-restraints excluded: chain A residue 384 ILE Chi-restraints excluded: chain A residue 385 LEU Chi-restraints excluded: chain A residue 387 SER Chi-restraints excluded: chain A residue 397 ASP Chi-restraints excluded: chain A residue 398 VAL Chi-restraints excluded: chain A residue 406 HIS Chi-restraints excluded: chain A residue 407 LYS Chi-restraints excluded: chain A residue 408 TYR Chi-restraints excluded: chain A residue 413 LYS Chi-restraints excluded: chain A residue 419 THR Chi-restraints excluded: chain A residue 421 SER Chi-restraints excluded: chain A residue 428 GLU Chi-restraints excluded: chain A residue 447 TYR Chi-restraints excluded: chain A residue 451 LYS Chi-restraints excluded: chain A residue 452 THR Chi-restraints excluded: chain A residue 456 ASP Chi-restraints excluded: chain A residue 457 ASP Chi-restraints excluded: chain A residue 471 ILE Chi-restraints excluded: chain A residue 476 LYS Chi-restraints excluded: chain A residue 478 ILE Chi-restraints excluded: chain A residue 480 HIS Chi-restraints excluded: chain A residue 484 MET Chi-restraints excluded: chain A residue 494 PHE Chi-restraints excluded: chain A residue 496 PHE Chi-restraints excluded: chain A residue 497 LEU Chi-restraints excluded: chain A residue 499 GLN Chi-restraints excluded: chain A residue 501 ILE Chi-restraints excluded: chain A residue 516 ASN Chi-restraints excluded: chain A residue 528 ILE Chi-restraints excluded: chain A residue 533 PRO Chi-restraints excluded: chain A residue 535 TYR Chi-restraints excluded: chain A residue 536 GLU Chi-restraints excluded: chain A residue 539 VAL Chi-restraints excluded: chain A residue 544 ASP Chi-restraints excluded: chain A residue 549 ILE Chi-restraints excluded: chain A residue 559 THR Chi-restraints excluded: chain A residue 564 ILE Chi-restraints excluded: chain A residue 570 ASP Chi-restraints excluded: chain A residue 573 ILE Chi-restraints excluded: chain A residue 576 GLU Chi-restraints excluded: chain C residue 11 GLN Chi-restraints excluded: chain C residue 12 TYR Chi-restraints excluded: chain C residue 13 LYS Chi-restraints excluded: chain C residue 15 ILE Chi-restraints excluded: chain C residue 19 PHE Chi-restraints excluded: chain C residue 25 ASP Chi-restraints excluded: chain C residue 32 VAL Chi-restraints excluded: chain C residue 33 GLN Chi-restraints excluded: chain C residue 38 SER Chi-restraints excluded: chain C residue 39 ILE Chi-restraints excluded: chain C residue 41 SER Chi-restraints excluded: chain C residue 44 GLU Chi-restraints excluded: chain C residue 50 MET Chi-restraints excluded: chain C residue 51 SER Chi-restraints excluded: chain C residue 58 THR Chi-restraints excluded: chain C residue 65 LEU Chi-restraints excluded: chain C residue 66 LEU Chi-restraints excluded: chain C residue 77 VAL Chi-restraints excluded: chain C residue 80 VAL Chi-restraints excluded: chain C residue 81 LEU Chi-restraints excluded: chain C residue 82 ARG Chi-restraints excluded: chain C residue 83 ILE Chi-restraints excluded: chain C residue 85 TYR Chi-restraints excluded: chain C residue 92 ILE Chi-restraints excluded: chain C residue 94 THR Chi-restraints excluded: chain C residue 97 ARG Chi-restraints excluded: chain C residue 100 SER Chi-restraints excluded: chain C residue 107 ILE Chi-restraints excluded: chain C residue 110 ARG Chi-restraints excluded: chain C residue 116 ASP Chi-restraints excluded: chain C residue 122 LYS Chi-restraints excluded: chain C residue 127 ARG Chi-restraints excluded: chain C residue 131 TYR Chi-restraints excluded: chain C residue 135 ARG Chi-restraints excluded: chain C residue 139 LEU Chi-restraints excluded: chain C residue 140 GLU Chi-restraints excluded: chain C residue 141 LEU Chi-restraints excluded: chain C residue 150 ASP Chi-restraints excluded: chain C residue 153 LEU Chi-restraints excluded: chain C residue 157 LYS Chi-restraints excluded: chain C residue 158 THR Chi-restraints excluded: chain C residue 160 VAL Chi-restraints excluded: chain C residue 166 LEU Chi-restraints excluded: chain C residue 167 SER Chi-restraints excluded: chain C residue 169 LYS Chi-restraints excluded: chain C residue 181 LEU Chi-restraints excluded: chain C residue 188 SER Chi-restraints excluded: chain C residue 191 THR Chi-restraints excluded: chain C residue 193 LEU Chi-restraints excluded: chain C residue 204 ASP Chi-restraints excluded: chain C residue 208 THR Chi-restraints excluded: chain C residue 221 ILE Chi-restraints excluded: chain C residue 225 GLN Chi-restraints excluded: chain C residue 234 SER Chi-restraints excluded: chain C residue 239 ASN Chi-restraints excluded: chain C residue 246 ASN Chi-restraints excluded: chain C residue 249 ASN Chi-restraints excluded: chain C residue 251 LYS Chi-restraints excluded: chain C residue 258 LEU Chi-restraints excluded: chain C residue 262 ILE Chi-restraints excluded: chain C residue 264 LEU Chi-restraints excluded: chain C residue 266 THR Chi-restraints excluded: chain C residue 273 ASP Chi-restraints excluded: chain C residue 274 PHE Chi-restraints excluded: chain C residue 279 THR Chi-restraints excluded: chain C residue 280 THR Chi-restraints excluded: chain C residue 281 THR Chi-restraints excluded: chain C residue 284 SER Chi-restraints excluded: chain C residue 285 LEU Chi-restraints excluded: chain C residue 288 HIS Chi-restraints excluded: chain C residue 291 THR Chi-restraints excluded: chain C residue 292 LEU Chi-restraints excluded: chain C residue 293 THR Chi-restraints excluded: chain C residue 305 LEU Chi-restraints excluded: chain C residue 319 THR Chi-restraints excluded: chain C residue 321 PRO Chi-restraints excluded: chain C residue 324 LEU Chi-restraints excluded: chain C residue 325 SER Chi-restraints excluded: chain C residue 326 ILE Chi-restraints excluded: chain C residue 327 ILE Chi-restraints excluded: chain C residue 329 GLU Chi-restraints excluded: chain C residue 333 ASP Chi-restraints excluded: chain C residue 338 TRP Chi-restraints excluded: chain C residue 339 ASP Chi-restraints excluded: chain C residue 341 TRP Chi-restraints excluded: chain C residue 342 LYS Chi-restraints excluded: chain C residue 343 HIS Chi-restraints excluded: chain C residue 351 THR Chi-restraints excluded: chain C residue 352 ILE Chi-restraints excluded: chain C residue 353 ILE Chi-restraints excluded: chain C residue 359 VAL Chi-restraints excluded: chain C residue 370 ASP Chi-restraints excluded: chain C residue 371 ARG Chi-restraints excluded: chain C residue 373 SER Chi-restraints excluded: chain C residue 381 ILE Chi-restraints excluded: chain C residue 383 THR Chi-restraints excluded: chain C residue 384 ILE Chi-restraints excluded: chain C residue 385 LEU Chi-restraints excluded: chain C residue 387 SER Chi-restraints excluded: chain C residue 389 ILE Chi-restraints excluded: chain C residue 396 SER Chi-restraints excluded: chain C residue 398 VAL Chi-restraints excluded: chain C residue 400 VAL Chi-restraints excluded: chain C residue 406 HIS Chi-restraints excluded: chain C residue 407 LYS Chi-restraints excluded: chain C residue 408 TYR Chi-restraints excluded: chain C residue 411 VAL Chi-restraints excluded: chain C residue 413 LYS Chi-restraints excluded: chain C residue 414 GLN Chi-restraints excluded: chain C residue 425 ILE Chi-restraints excluded: chain C residue 431 VAL Chi-restraints excluded: chain C residue 447 TYR Chi-restraints excluded: chain C residue 452 THR Chi-restraints excluded: chain C residue 456 ASP Chi-restraints excluded: chain C residue 459 ILE Chi-restraints excluded: chain C residue 462 TYR Chi-restraints excluded: chain C residue 463 LEU Chi-restraints excluded: chain C residue 471 ILE Chi-restraints excluded: chain C residue 478 ILE Chi-restraints excluded: chain C residue 479 GLU Chi-restraints excluded: chain C residue 480 HIS Chi-restraints excluded: chain C residue 485 THR Chi-restraints excluded: chain C residue 489 MET Chi-restraints excluded: chain C residue 496 PHE Chi-restraints excluded: chain C residue 497 LEU Chi-restraints excluded: chain C residue 499 GLN Chi-restraints excluded: chain C residue 501 ILE Chi-restraints excluded: chain C residue 516 ASN Chi-restraints excluded: chain C residue 524 TYR Chi-restraints excluded: chain C residue 528 ILE Chi-restraints excluded: chain C residue 536 GLU Chi-restraints excluded: chain C residue 539 VAL Chi-restraints excluded: chain C residue 544 ASP Chi-restraints excluded: chain C residue 559 THR Chi-restraints excluded: chain C residue 576 GLU Chi-restraints excluded: chain C residue 580 GLN Chi-restraints excluded: chain D residue 12 TYR Chi-restraints excluded: chain D residue 13 LYS Chi-restraints excluded: chain D residue 19 PHE Chi-restraints excluded: chain D residue 20 GLU Chi-restraints excluded: chain D residue 25 ASP Chi-restraints excluded: chain D residue 33 GLN Chi-restraints excluded: chain D residue 34 ASP Chi-restraints excluded: chain D residue 38 SER Chi-restraints excluded: chain D residue 40 LEU Chi-restraints excluded: chain D residue 41 SER Chi-restraints excluded: chain D residue 44 GLU Chi-restraints excluded: chain D residue 46 ASP Chi-restraints excluded: chain D residue 50 MET Chi-restraints excluded: chain D residue 51 SER Chi-restraints excluded: chain D residue 58 THR Chi-restraints excluded: chain D residue 60 ARG Chi-restraints excluded: chain D residue 77 VAL Chi-restraints excluded: chain D residue 80 VAL Chi-restraints excluded: chain D residue 82 ARG Chi-restraints excluded: chain D residue 92 ILE Chi-restraints excluded: chain D residue 93 LYS Chi-restraints excluded: chain D residue 100 SER Chi-restraints excluded: chain D residue 101 MET Chi-restraints excluded: chain D residue 104 ARG Chi-restraints excluded: chain D residue 107 ILE Chi-restraints excluded: chain D residue 110 ARG Chi-restraints excluded: chain D residue 116 ASP Chi-restraints excluded: chain D residue 124 ASN Chi-restraints excluded: chain D residue 127 ARG Chi-restraints excluded: chain D residue 131 TYR Chi-restraints excluded: chain D residue 135 ARG Chi-restraints excluded: chain D residue 141 LEU Chi-restraints excluded: chain D residue 153 LEU Chi-restraints excluded: chain D residue 157 LYS Chi-restraints excluded: chain D residue 158 THR Chi-restraints excluded: chain D residue 162 LEU Chi-restraints excluded: chain D residue 164 VAL Chi-restraints excluded: chain D residue 166 LEU Chi-restraints excluded: chain D residue 167 SER Chi-restraints excluded: chain D residue 173 LYS Chi-restraints excluded: chain D residue 188 SER Chi-restraints excluded: chain D residue 193 LEU Chi-restraints excluded: chain D residue 199 LEU Chi-restraints excluded: chain D residue 203 ILE Chi-restraints excluded: chain D residue 204 ASP Chi-restraints excluded: chain D residue 208 THR Chi-restraints excluded: chain D residue 211 SER Chi-restraints excluded: chain D residue 217 ILE Chi-restraints excluded: chain D residue 218 LYS Chi-restraints excluded: chain D residue 221 ILE Chi-restraints excluded: chain D residue 230 ARG Chi-restraints excluded: chain D residue 236 PRO Chi-restraints excluded: chain D residue 239 ASN Chi-restraints excluded: chain D residue 242 LEU Chi-restraints excluded: chain D residue 245 LEU Chi-restraints excluded: chain D residue 247 VAL Chi-restraints excluded: chain D residue 249 ASN Chi-restraints excluded: chain D residue 254 ASN Chi-restraints excluded: chain D residue 256 PHE Chi-restraints excluded: chain D residue 258 LEU Chi-restraints excluded: chain D residue 266 THR Chi-restraints excluded: chain D residue 267 ARG Chi-restraints excluded: chain D residue 271 VAL Chi-restraints excluded: chain D residue 273 ASP Chi-restraints excluded: chain D residue 280 THR Chi-restraints excluded: chain D residue 281 THR Chi-restraints excluded: chain D residue 284 SER Chi-restraints excluded: chain D residue 288 HIS Chi-restraints excluded: chain D residue 290 MET Chi-restraints excluded: chain D residue 292 LEU Chi-restraints excluded: chain D residue 293 THR Chi-restraints excluded: chain D residue 297 VAL Chi-restraints excluded: chain D residue 299 SER Chi-restraints excluded: chain D residue 307 CYS Chi-restraints excluded: chain D residue 319 THR Chi-restraints excluded: chain D residue 321 PRO Chi-restraints excluded: chain D residue 322 ARG Chi-restraints excluded: chain D residue 323 ARG Chi-restraints excluded: chain D residue 324 LEU Chi-restraints excluded: chain D residue 325 SER Chi-restraints excluded: chain D residue 327 ILE Chi-restraints excluded: chain D residue 331 ILE Chi-restraints excluded: chain D residue 333 ASP Chi-restraints excluded: chain D residue 338 TRP Chi-restraints excluded: chain D residue 339 ASP Chi-restraints excluded: chain D residue 342 LYS Chi-restraints excluded: chain D residue 349 LEU Chi-restraints excluded: chain D residue 351 THR Chi-restraints excluded: chain D residue 352 ILE Chi-restraints excluded: chain D residue 353 ILE Chi-restraints excluded: chain D residue 359 VAL Chi-restraints excluded: chain D residue 367 LYS Chi-restraints excluded: chain D residue 370 ASP Chi-restraints excluded: chain D residue 373 SER Chi-restraints excluded: chain D residue 378 SER Chi-restraints excluded: chain D residue 381 ILE Chi-restraints excluded: chain D residue 383 THR Chi-restraints excluded: chain D residue 384 ILE Chi-restraints excluded: chain D residue 385 LEU Chi-restraints excluded: chain D residue 387 SER Chi-restraints excluded: chain D residue 397 ASP Chi-restraints excluded: chain D residue 398 VAL Chi-restraints excluded: chain D residue 406 HIS Chi-restraints excluded: chain D residue 407 LYS Chi-restraints excluded: chain D residue 408 TYR Chi-restraints excluded: chain D residue 413 LYS Chi-restraints excluded: chain D residue 419 THR Chi-restraints excluded: chain D residue 421 SER Chi-restraints excluded: chain D residue 428 GLU Chi-restraints excluded: chain D residue 431 VAL Chi-restraints excluded: chain D residue 443 ILE Chi-restraints excluded: chain D residue 447 TYR Chi-restraints excluded: chain D residue 451 LYS Chi-restraints excluded: chain D residue 452 THR Chi-restraints excluded: chain D residue 456 ASP Chi-restraints excluded: chain D residue 457 ASP Chi-restraints excluded: chain D residue 476 LYS Chi-restraints excluded: chain D residue 478 ILE Chi-restraints excluded: chain D residue 480 HIS Chi-restraints excluded: chain D residue 484 MET Chi-restraints excluded: chain D residue 494 PHE Chi-restraints excluded: chain D residue 496 PHE Chi-restraints excluded: chain D residue 497 LEU Chi-restraints excluded: chain D residue 499 GLN Chi-restraints excluded: chain D residue 501 ILE Chi-restraints excluded: chain D residue 516 ASN Chi-restraints excluded: chain D residue 528 ILE Chi-restraints excluded: chain D residue 533 PRO Chi-restraints excluded: chain D residue 535 TYR Chi-restraints excluded: chain D residue 536 GLU Chi-restraints excluded: chain D residue 539 VAL Chi-restraints excluded: chain D residue 544 ASP Chi-restraints excluded: chain D residue 549 ILE Chi-restraints excluded: chain D residue 559 THR Chi-restraints excluded: chain D residue 564 ILE Chi-restraints excluded: chain D residue 570 ASP Chi-restraints excluded: chain D residue 573 ILE Chi-restraints excluded: chain D residue 576 GLU Chi-restraints excluded: chain E residue 12 TYR Chi-restraints excluded: chain E residue 13 LYS Chi-restraints excluded: chain E residue 14 ASP Chi-restraints excluded: chain E residue 15 ILE Chi-restraints excluded: chain E residue 19 PHE Chi-restraints excluded: chain E residue 25 ASP Chi-restraints excluded: chain E residue 32 VAL Chi-restraints excluded: chain E residue 33 GLN Chi-restraints excluded: chain E residue 34 ASP Chi-restraints excluded: chain E residue 35 MET Chi-restraints excluded: chain E residue 38 SER Chi-restraints excluded: chain E residue 39 ILE Chi-restraints excluded: chain E residue 41 SER Chi-restraints excluded: chain E residue 44 GLU Chi-restraints excluded: chain E residue 50 MET Chi-restraints excluded: chain E residue 51 SER Chi-restraints excluded: chain E residue 58 THR Chi-restraints excluded: chain E residue 65 LEU Chi-restraints excluded: chain E residue 66 LEU Chi-restraints excluded: chain E residue 70 GLU Chi-restraints excluded: chain E residue 77 VAL Chi-restraints excluded: chain E residue 80 VAL Chi-restraints excluded: chain E residue 81 LEU Chi-restraints excluded: chain E residue 82 ARG Chi-restraints excluded: chain E residue 83 ILE Chi-restraints excluded: chain E residue 85 TYR Chi-restraints excluded: chain E residue 92 ILE Chi-restraints excluded: chain E residue 94 THR Chi-restraints excluded: chain E residue 100 SER Chi-restraints excluded: chain E residue 103 THR Chi-restraints excluded: chain E residue 107 ILE Chi-restraints excluded: chain E residue 110 ARG Chi-restraints excluded: chain E residue 116 ASP Chi-restraints excluded: chain E residue 122 LYS Chi-restraints excluded: chain E residue 127 ARG Chi-restraints excluded: chain E residue 131 TYR Chi-restraints excluded: chain E residue 135 ARG Chi-restraints excluded: chain E residue 139 LEU Chi-restraints excluded: chain E residue 141 LEU Chi-restraints excluded: chain E residue 150 ASP Chi-restraints excluded: chain E residue 153 LEU Chi-restraints excluded: chain E residue 157 LYS Chi-restraints excluded: chain E residue 158 THR Chi-restraints excluded: chain E residue 160 VAL Chi-restraints excluded: chain E residue 166 LEU Chi-restraints excluded: chain E residue 167 SER Chi-restraints excluded: chain E residue 169 LYS Chi-restraints excluded: chain E residue 181 LEU Chi-restraints excluded: chain E residue 188 SER Chi-restraints excluded: chain E residue 191 THR Chi-restraints excluded: chain E residue 193 LEU Chi-restraints excluded: chain E residue 204 ASP Chi-restraints excluded: chain E residue 208 THR Chi-restraints excluded: chain E residue 221 ILE Chi-restraints excluded: chain E residue 225 GLN Chi-restraints excluded: chain E residue 230 ARG Chi-restraints excluded: chain E residue 234 SER Chi-restraints excluded: chain E residue 239 ASN Chi-restraints excluded: chain E residue 246 ASN Chi-restraints excluded: chain E residue 249 ASN Chi-restraints excluded: chain E residue 258 LEU Chi-restraints excluded: chain E residue 262 ILE Chi-restraints excluded: chain E residue 266 THR Chi-restraints excluded: chain E residue 273 ASP Chi-restraints excluded: chain E residue 279 THR Chi-restraints excluded: chain E residue 280 THR Chi-restraints excluded: chain E residue 281 THR Chi-restraints excluded: chain E residue 284 SER Chi-restraints excluded: chain E residue 285 LEU Chi-restraints excluded: chain E residue 288 HIS Chi-restraints excluded: chain E residue 291 THR Chi-restraints excluded: chain E residue 292 LEU Chi-restraints excluded: chain E residue 293 THR Chi-restraints excluded: chain E residue 298 LYS Chi-restraints excluded: chain E residue 305 LEU Chi-restraints excluded: chain E residue 319 THR Chi-restraints excluded: chain E residue 321 PRO Chi-restraints excluded: chain E residue 323 ARG Chi-restraints excluded: chain E residue 324 LEU Chi-restraints excluded: chain E residue 325 SER Chi-restraints excluded: chain E residue 327 ILE Chi-restraints excluded: chain E residue 329 GLU Chi-restraints excluded: chain E residue 333 ASP Chi-restraints excluded: chain E residue 338 TRP Chi-restraints excluded: chain E residue 339 ASP Chi-restraints excluded: chain E residue 351 THR Chi-restraints excluded: chain E residue 353 ILE Chi-restraints excluded: chain E residue 359 VAL Chi-restraints excluded: chain E residue 370 ASP Chi-restraints excluded: chain E residue 371 ARG Chi-restraints excluded: chain E residue 373 SER Chi-restraints excluded: chain E residue 381 ILE Chi-restraints excluded: chain E residue 383 THR Chi-restraints excluded: chain E residue 384 ILE Chi-restraints excluded: chain E residue 385 LEU Chi-restraints excluded: chain E residue 387 SER Chi-restraints excluded: chain E residue 389 ILE Chi-restraints excluded: chain E residue 396 SER Chi-restraints excluded: chain E residue 398 VAL Chi-restraints excluded: chain E residue 400 VAL Chi-restraints excluded: chain E residue 406 HIS Chi-restraints excluded: chain E residue 407 LYS Chi-restraints excluded: chain E residue 408 TYR Chi-restraints excluded: chain E residue 411 VAL Chi-restraints excluded: chain E residue 413 LYS Chi-restraints excluded: chain E residue 414 GLN Chi-restraints excluded: chain E residue 425 ILE Chi-restraints excluded: chain E residue 431 VAL Chi-restraints excluded: chain E residue 447 TYR Chi-restraints excluded: chain E residue 452 THR Chi-restraints excluded: chain E residue 456 ASP Chi-restraints excluded: chain E residue 459 ILE Chi-restraints excluded: chain E residue 462 TYR Chi-restraints excluded: chain E residue 463 LEU Chi-restraints excluded: chain E residue 471 ILE Chi-restraints excluded: chain E residue 478 ILE Chi-restraints excluded: chain E residue 480 HIS Chi-restraints excluded: chain E residue 485 THR Chi-restraints excluded: chain E residue 487 PHE Chi-restraints excluded: chain E residue 489 MET Chi-restraints excluded: chain E residue 494 PHE Chi-restraints excluded: chain E residue 496 PHE Chi-restraints excluded: chain E residue 497 LEU Chi-restraints excluded: chain E residue 499 GLN Chi-restraints excluded: chain E residue 501 ILE Chi-restraints excluded: chain E residue 516 ASN Chi-restraints excluded: chain E residue 524 TYR Chi-restraints excluded: chain E residue 528 ILE Chi-restraints excluded: chain E residue 536 GLU Chi-restraints excluded: chain E residue 539 VAL Chi-restraints excluded: chain E residue 544 ASP Chi-restraints excluded: chain E residue 559 THR Chi-restraints excluded: chain E residue 564 ILE Chi-restraints excluded: chain E residue 576 GLU Chi-restraints excluded: chain E residue 580 GLN Chi-restraints excluded: chain F residue 12 TYR Chi-restraints excluded: chain F residue 13 LYS Chi-restraints excluded: chain F residue 19 PHE Chi-restraints excluded: chain F residue 20 GLU Chi-restraints excluded: chain F residue 25 ASP Chi-restraints excluded: chain F residue 33 GLN Chi-restraints excluded: chain F residue 34 ASP Chi-restraints excluded: chain F residue 35 MET Chi-restraints excluded: chain F residue 38 SER Chi-restraints excluded: chain F residue 40 LEU Chi-restraints excluded: chain F residue 41 SER Chi-restraints excluded: chain F residue 44 GLU Chi-restraints excluded: chain F residue 46 ASP Chi-restraints excluded: chain F residue 51 SER Chi-restraints excluded: chain F residue 58 THR Chi-restraints excluded: chain F residue 74 GLN Chi-restraints excluded: chain F residue 77 VAL Chi-restraints excluded: chain F residue 80 VAL Chi-restraints excluded: chain F residue 81 LEU Chi-restraints excluded: chain F residue 82 ARG Chi-restraints excluded: chain F residue 87 PHE Chi-restraints excluded: chain F residue 89 MET Chi-restraints excluded: chain F residue 92 ILE Chi-restraints excluded: chain F residue 93 LYS Chi-restraints excluded: chain F residue 100 SER Chi-restraints excluded: chain F residue 101 MET Chi-restraints excluded: chain F residue 104 ARG Chi-restraints excluded: chain F residue 107 ILE Chi-restraints excluded: chain F residue 110 ARG Chi-restraints excluded: chain F residue 116 ASP Chi-restraints excluded: chain F residue 124 ASN Chi-restraints excluded: chain F residue 127 ARG Chi-restraints excluded: chain F residue 131 TYR Chi-restraints excluded: chain F residue 135 ARG Chi-restraints excluded: chain F residue 141 LEU Chi-restraints excluded: chain F residue 153 LEU Chi-restraints excluded: chain F residue 157 LYS Chi-restraints excluded: chain F residue 158 THR Chi-restraints excluded: chain F residue 162 LEU Chi-restraints excluded: chain F residue 164 VAL Chi-restraints excluded: chain F residue 166 LEU Chi-restraints excluded: chain F residue 167 SER Chi-restraints excluded: chain F residue 173 LYS Chi-restraints excluded: chain F residue 177 LYS Chi-restraints excluded: chain F residue 179 PHE Chi-restraints excluded: chain F residue 191 THR Chi-restraints excluded: chain F residue 193 LEU Chi-restraints excluded: chain F residue 199 LEU Chi-restraints excluded: chain F residue 203 ILE Chi-restraints excluded: chain F residue 204 ASP Chi-restraints excluded: chain F residue 208 THR Chi-restraints excluded: chain F residue 211 SER Chi-restraints excluded: chain F residue 217 ILE Chi-restraints excluded: chain F residue 218 LYS Chi-restraints excluded: chain F residue 221 ILE Chi-restraints excluded: chain F residue 230 ARG Chi-restraints excluded: chain F residue 236 PRO Chi-restraints excluded: chain F residue 239 ASN Chi-restraints excluded: chain F residue 242 LEU Chi-restraints excluded: chain F residue 245 LEU Chi-restraints excluded: chain F residue 247 VAL Chi-restraints excluded: chain F residue 249 ASN Chi-restraints excluded: chain F residue 254 ASN Chi-restraints excluded: chain F residue 256 PHE Chi-restraints excluded: chain F residue 258 LEU Chi-restraints excluded: chain F residue 266 THR Chi-restraints excluded: chain F residue 267 ARG Chi-restraints excluded: chain F residue 271 VAL Chi-restraints excluded: chain F residue 273 ASP Chi-restraints excluded: chain F residue 280 THR Chi-restraints excluded: chain F residue 281 THR Chi-restraints excluded: chain F residue 284 SER Chi-restraints excluded: chain F residue 288 HIS Chi-restraints excluded: chain F residue 290 MET Chi-restraints excluded: chain F residue 292 LEU Chi-restraints excluded: chain F residue 293 THR Chi-restraints excluded: chain F residue 297 VAL Chi-restraints excluded: chain F residue 299 SER Chi-restraints excluded: chain F residue 307 CYS Chi-restraints excluded: chain F residue 319 THR Chi-restraints excluded: chain F residue 321 PRO Chi-restraints excluded: chain F residue 322 ARG Chi-restraints excluded: chain F residue 323 ARG Chi-restraints excluded: chain F residue 324 LEU Chi-restraints excluded: chain F residue 325 SER Chi-restraints excluded: chain F residue 327 ILE Chi-restraints excluded: chain F residue 331 ILE Chi-restraints excluded: chain F residue 333 ASP Chi-restraints excluded: chain F residue 338 TRP Chi-restraints excluded: chain F residue 339 ASP Chi-restraints excluded: chain F residue 342 LYS Chi-restraints excluded: chain F residue 349 LEU Chi-restraints excluded: chain F residue 351 THR Chi-restraints excluded: chain F residue 352 ILE Chi-restraints excluded: chain F residue 353 ILE Chi-restraints excluded: chain F residue 359 VAL Chi-restraints excluded: chain F residue 360 LEU Chi-restraints excluded: chain F residue 367 LYS Chi-restraints excluded: chain F residue 370 ASP Chi-restraints excluded: chain F residue 373 SER Chi-restraints excluded: chain F residue 378 SER Chi-restraints excluded: chain F residue 381 ILE Chi-restraints excluded: chain F residue 383 THR Chi-restraints excluded: chain F residue 384 ILE Chi-restraints excluded: chain F residue 385 LEU Chi-restraints excluded: chain F residue 387 SER Chi-restraints excluded: chain F residue 397 ASP Chi-restraints excluded: chain F residue 398 VAL Chi-restraints excluded: chain F residue 406 HIS Chi-restraints excluded: chain F residue 407 LYS Chi-restraints excluded: chain F residue 408 TYR Chi-restraints excluded: chain F residue 413 LYS Chi-restraints excluded: chain F residue 419 THR Chi-restraints excluded: chain F residue 421 SER Chi-restraints excluded: chain F residue 428 GLU Chi-restraints excluded: chain F residue 431 VAL Chi-restraints excluded: chain F residue 443 ILE Chi-restraints excluded: chain F residue 447 TYR Chi-restraints excluded: chain F residue 452 THR Chi-restraints excluded: chain F residue 456 ASP Chi-restraints excluded: chain F residue 457 ASP Chi-restraints excluded: chain F residue 478 ILE Chi-restraints excluded: chain F residue 480 HIS Chi-restraints excluded: chain F residue 484 MET Chi-restraints excluded: chain F residue 494 PHE Chi-restraints excluded: chain F residue 496 PHE Chi-restraints excluded: chain F residue 497 LEU Chi-restraints excluded: chain F residue 499 GLN Chi-restraints excluded: chain F residue 501 ILE Chi-restraints excluded: chain F residue 516 ASN Chi-restraints excluded: chain F residue 528 ILE Chi-restraints excluded: chain F residue 533 PRO Chi-restraints excluded: chain F residue 535 TYR Chi-restraints excluded: chain F residue 536 GLU Chi-restraints excluded: chain F residue 539 VAL Chi-restraints excluded: chain F residue 544 ASP Chi-restraints excluded: chain F residue 549 ILE Chi-restraints excluded: chain F residue 559 THR Chi-restraints excluded: chain F residue 564 ILE Chi-restraints excluded: chain F residue 570 ASP Chi-restraints excluded: chain F residue 573 ILE Chi-restraints excluded: chain F residue 576 GLU Chi-restraints excluded: chain G residue 11 GLN Chi-restraints excluded: chain G residue 12 TYR Chi-restraints excluded: chain G residue 13 LYS Chi-restraints excluded: chain G residue 14 ASP Chi-restraints excluded: chain G residue 15 ILE Chi-restraints excluded: chain G residue 19 PHE Chi-restraints excluded: chain G residue 25 ASP Chi-restraints excluded: chain G residue 32 VAL Chi-restraints excluded: chain G residue 33 GLN Chi-restraints excluded: chain G residue 34 ASP Chi-restraints excluded: chain G residue 35 MET Chi-restraints excluded: chain G residue 38 SER Chi-restraints excluded: chain G residue 39 ILE Chi-restraints excluded: chain G residue 41 SER Chi-restraints excluded: chain G residue 44 GLU Chi-restraints excluded: chain G residue 50 MET Chi-restraints excluded: chain G residue 51 SER Chi-restraints excluded: chain G residue 58 THR Chi-restraints excluded: chain G residue 65 LEU Chi-restraints excluded: chain G residue 66 LEU Chi-restraints excluded: chain G residue 70 GLU Chi-restraints excluded: chain G residue 77 VAL Chi-restraints excluded: chain G residue 80 VAL Chi-restraints excluded: chain G residue 81 LEU Chi-restraints excluded: chain G residue 82 ARG Chi-restraints excluded: chain G residue 83 ILE Chi-restraints excluded: chain G residue 85 TYR Chi-restraints excluded: chain G residue 92 ILE Chi-restraints excluded: chain G residue 94 THR Chi-restraints excluded: chain G residue 97 ARG Chi-restraints excluded: chain G residue 100 SER Chi-restraints excluded: chain G residue 103 THR Chi-restraints excluded: chain G residue 107 ILE Chi-restraints excluded: chain G residue 110 ARG Chi-restraints excluded: chain G residue 116 ASP Chi-restraints excluded: chain G residue 122 LYS Chi-restraints excluded: chain G residue 127 ARG Chi-restraints excluded: chain G residue 131 TYR Chi-restraints excluded: chain G residue 135 ARG Chi-restraints excluded: chain G residue 139 LEU Chi-restraints excluded: chain G residue 141 LEU Chi-restraints excluded: chain G residue 150 ASP Chi-restraints excluded: chain G residue 153 LEU Chi-restraints excluded: chain G residue 157 LYS Chi-restraints excluded: chain G residue 158 THR Chi-restraints excluded: chain G residue 160 VAL Chi-restraints excluded: chain G residue 166 LEU Chi-restraints excluded: chain G residue 167 SER Chi-restraints excluded: chain G residue 169 LYS Chi-restraints excluded: chain G residue 181 LEU Chi-restraints excluded: chain G residue 188 SER Chi-restraints excluded: chain G residue 191 THR Chi-restraints excluded: chain G residue 204 ASP Chi-restraints excluded: chain G residue 208 THR Chi-restraints excluded: chain G residue 217 ILE Chi-restraints excluded: chain G residue 221 ILE Chi-restraints excluded: chain G residue 225 GLN Chi-restraints excluded: chain G residue 234 SER Chi-restraints excluded: chain G residue 246 ASN Chi-restraints excluded: chain G residue 249 ASN Chi-restraints excluded: chain G residue 251 LYS Chi-restraints excluded: chain G residue 258 LEU Chi-restraints excluded: chain G residue 262 ILE Chi-restraints excluded: chain G residue 266 THR Chi-restraints excluded: chain G residue 273 ASP Chi-restraints excluded: chain G residue 279 THR Chi-restraints excluded: chain G residue 280 THR Chi-restraints excluded: chain G residue 281 THR Chi-restraints excluded: chain G residue 284 SER Chi-restraints excluded: chain G residue 285 LEU Chi-restraints excluded: chain G residue 288 HIS Chi-restraints excluded: chain G residue 291 THR Chi-restraints excluded: chain G residue 292 LEU Chi-restraints excluded: chain G residue 293 THR Chi-restraints excluded: chain G residue 305 LEU Chi-restraints excluded: chain G residue 321 PRO Chi-restraints excluded: chain G residue 323 ARG Chi-restraints excluded: chain G residue 324 LEU Chi-restraints excluded: chain G residue 325 SER Chi-restraints excluded: chain G residue 326 ILE Chi-restraints excluded: chain G residue 327 ILE Chi-restraints excluded: chain G residue 329 GLU Chi-restraints excluded: chain G residue 333 ASP Chi-restraints excluded: chain G residue 338 TRP Chi-restraints excluded: chain G residue 339 ASP Chi-restraints excluded: chain G residue 342 LYS Chi-restraints excluded: chain G residue 343 HIS Chi-restraints excluded: chain G residue 351 THR Chi-restraints excluded: chain G residue 352 ILE Chi-restraints excluded: chain G residue 353 ILE Chi-restraints excluded: chain G residue 355 SER Chi-restraints excluded: chain G residue 359 VAL Chi-restraints excluded: chain G residue 370 ASP Chi-restraints excluded: chain G residue 371 ARG Chi-restraints excluded: chain G residue 373 SER Chi-restraints excluded: chain G residue 381 ILE Chi-restraints excluded: chain G residue 383 THR Chi-restraints excluded: chain G residue 384 ILE Chi-restraints excluded: chain G residue 385 LEU Chi-restraints excluded: chain G residue 387 SER Chi-restraints excluded: chain G residue 389 ILE Chi-restraints excluded: chain G residue 396 SER Chi-restraints excluded: chain G residue 398 VAL Chi-restraints excluded: chain G residue 400 VAL Chi-restraints excluded: chain G residue 406 HIS Chi-restraints excluded: chain G residue 407 LYS Chi-restraints excluded: chain G residue 408 TYR Chi-restraints excluded: chain G residue 411 VAL Chi-restraints excluded: chain G residue 413 LYS Chi-restraints excluded: chain G residue 414 GLN Chi-restraints excluded: chain G residue 425 ILE Chi-restraints excluded: chain G residue 431 VAL Chi-restraints excluded: chain G residue 447 TYR Chi-restraints excluded: chain G residue 456 ASP Chi-restraints excluded: chain G residue 459 ILE Chi-restraints excluded: chain G residue 462 TYR Chi-restraints excluded: chain G residue 463 LEU Chi-restraints excluded: chain G residue 471 ILE Chi-restraints excluded: chain G residue 478 ILE Chi-restraints excluded: chain G residue 480 HIS Chi-restraints excluded: chain G residue 485 THR Chi-restraints excluded: chain G residue 487 PHE Chi-restraints excluded: chain G residue 489 MET Chi-restraints excluded: chain G residue 494 PHE Chi-restraints excluded: chain G residue 496 PHE Chi-restraints excluded: chain G residue 497 LEU Chi-restraints excluded: chain G residue 499 GLN Chi-restraints excluded: chain G residue 501 ILE Chi-restraints excluded: chain G residue 516 ASN Chi-restraints excluded: chain G residue 524 TYR Chi-restraints excluded: chain G residue 528 ILE Chi-restraints excluded: chain G residue 535 TYR Chi-restraints excluded: chain G residue 536 GLU Chi-restraints excluded: chain G residue 539 VAL Chi-restraints excluded: chain G residue 544 ASP Chi-restraints excluded: chain G residue 549 ILE Chi-restraints excluded: chain G residue 559 THR Chi-restraints excluded: chain G residue 564 ILE Chi-restraints excluded: chain G residue 576 GLU Chi-restraints excluded: chain G residue 580 GLN Chi-restraints excluded: chain H residue 12 TYR Chi-restraints excluded: chain H residue 13 LYS Chi-restraints excluded: chain H residue 20 GLU Chi-restraints excluded: chain H residue 25 ASP Chi-restraints excluded: chain H residue 33 GLN Chi-restraints excluded: chain H residue 34 ASP Chi-restraints excluded: chain H residue 35 MET Chi-restraints excluded: chain H residue 38 SER Chi-restraints excluded: chain H residue 40 LEU Chi-restraints excluded: chain H residue 41 SER Chi-restraints excluded: chain H residue 44 GLU Chi-restraints excluded: chain H residue 46 ASP Chi-restraints excluded: chain H residue 51 SER Chi-restraints excluded: chain H residue 58 THR Chi-restraints excluded: chain H residue 76 PHE Chi-restraints excluded: chain H residue 77 VAL Chi-restraints excluded: chain H residue 80 VAL Chi-restraints excluded: chain H residue 81 LEU Chi-restraints excluded: chain H residue 82 ARG Chi-restraints excluded: chain H residue 92 ILE Chi-restraints excluded: chain H residue 93 LYS Chi-restraints excluded: chain H residue 100 SER Chi-restraints excluded: chain H residue 101 MET Chi-restraints excluded: chain H residue 104 ARG Chi-restraints excluded: chain H residue 107 ILE Chi-restraints excluded: chain H residue 110 ARG Chi-restraints excluded: chain H residue 116 ASP Chi-restraints excluded: chain H residue 124 ASN Chi-restraints excluded: chain H residue 127 ARG Chi-restraints excluded: chain H residue 131 TYR Chi-restraints excluded: chain H residue 133 LYS Chi-restraints excluded: chain H residue 135 ARG Chi-restraints excluded: chain H residue 141 LEU Chi-restraints excluded: chain H residue 153 LEU Chi-restraints excluded: chain H residue 157 LYS Chi-restraints excluded: chain H residue 158 THR Chi-restraints excluded: chain H residue 162 LEU Chi-restraints excluded: chain H residue 164 VAL Chi-restraints excluded: chain H residue 166 LEU Chi-restraints excluded: chain H residue 167 SER Chi-restraints excluded: chain H residue 173 LYS Chi-restraints excluded: chain H residue 177 LYS Chi-restraints excluded: chain H residue 179 PHE Chi-restraints excluded: chain H residue 188 SER Chi-restraints excluded: chain H residue 193 LEU Chi-restraints excluded: chain H residue 199 LEU Chi-restraints excluded: chain H residue 203 ILE Chi-restraints excluded: chain H residue 204 ASP Chi-restraints excluded: chain H residue 208 THR Chi-restraints excluded: chain H residue 210 ARG Chi-restraints excluded: chain H residue 211 SER Chi-restraints excluded: chain H residue 217 ILE Chi-restraints excluded: chain H residue 218 LYS Chi-restraints excluded: chain H residue 221 ILE Chi-restraints excluded: chain H residue 230 ARG Chi-restraints excluded: chain H residue 234 SER Chi-restraints excluded: chain H residue 236 PRO Chi-restraints excluded: chain H residue 239 ASN Chi-restraints excluded: chain H residue 242 LEU Chi-restraints excluded: chain H residue 245 LEU Chi-restraints excluded: chain H residue 247 VAL Chi-restraints excluded: chain H residue 249 ASN Chi-restraints excluded: chain H residue 254 ASN Chi-restraints excluded: chain H residue 256 PHE Chi-restraints excluded: chain H residue 258 LEU Chi-restraints excluded: chain H residue 266 THR Chi-restraints excluded: chain H residue 267 ARG Chi-restraints excluded: chain H residue 271 VAL Chi-restraints excluded: chain H residue 273 ASP Chi-restraints excluded: chain H residue 280 THR Chi-restraints excluded: chain H residue 281 THR Chi-restraints excluded: chain H residue 284 SER Chi-restraints excluded: chain H residue 288 HIS Chi-restraints excluded: chain H residue 290 MET Chi-restraints excluded: chain H residue 292 LEU Chi-restraints excluded: chain H residue 293 THR Chi-restraints excluded: chain H residue 297 VAL Chi-restraints excluded: chain H residue 299 SER Chi-restraints excluded: chain H residue 307 CYS Chi-restraints excluded: chain H residue 319 THR Chi-restraints excluded: chain H residue 321 PRO Chi-restraints excluded: chain H residue 322 ARG Chi-restraints excluded: chain H residue 323 ARG Chi-restraints excluded: chain H residue 324 LEU Chi-restraints excluded: chain H residue 325 SER Chi-restraints excluded: chain H residue 327 ILE Chi-restraints excluded: chain H residue 331 ILE Chi-restraints excluded: chain H residue 333 ASP Chi-restraints excluded: chain H residue 338 TRP Chi-restraints excluded: chain H residue 339 ASP Chi-restraints excluded: chain H residue 342 LYS Chi-restraints excluded: chain H residue 349 LEU Chi-restraints excluded: chain H residue 351 THR Chi-restraints excluded: chain H residue 352 ILE Chi-restraints excluded: chain H residue 353 ILE Chi-restraints excluded: chain H residue 367 LYS Chi-restraints excluded: chain H residue 370 ASP Chi-restraints excluded: chain H residue 373 SER Chi-restraints excluded: chain H residue 378 SER Chi-restraints excluded: chain H residue 381 ILE Chi-restraints excluded: chain H residue 383 THR Chi-restraints excluded: chain H residue 384 ILE Chi-restraints excluded: chain H residue 385 LEU Chi-restraints excluded: chain H residue 387 SER Chi-restraints excluded: chain H residue 397 ASP Chi-restraints excluded: chain H residue 398 VAL Chi-restraints excluded: chain H residue 406 HIS Chi-restraints excluded: chain H residue 407 LYS Chi-restraints excluded: chain H residue 408 TYR Chi-restraints excluded: chain H residue 413 LYS Chi-restraints excluded: chain H residue 419 THR Chi-restraints excluded: chain H residue 421 SER Chi-restraints excluded: chain H residue 428 GLU Chi-restraints excluded: chain H residue 431 VAL Chi-restraints excluded: chain H residue 447 TYR Chi-restraints excluded: chain H residue 451 LYS Chi-restraints excluded: chain H residue 452 THR Chi-restraints excluded: chain H residue 456 ASP Chi-restraints excluded: chain H residue 457 ASP Chi-restraints excluded: chain H residue 476 LYS Chi-restraints excluded: chain H residue 478 ILE Chi-restraints excluded: chain H residue 480 HIS Chi-restraints excluded: chain H residue 494 PHE Chi-restraints excluded: chain H residue 496 PHE Chi-restraints excluded: chain H residue 497 LEU Chi-restraints excluded: chain H residue 499 GLN Chi-restraints excluded: chain H residue 501 ILE Chi-restraints excluded: chain H residue 516 ASN Chi-restraints excluded: chain H residue 528 ILE Chi-restraints excluded: chain H residue 533 PRO Chi-restraints excluded: chain H residue 535 TYR Chi-restraints excluded: chain H residue 536 GLU Chi-restraints excluded: chain H residue 539 VAL Chi-restraints excluded: chain H residue 544 ASP Chi-restraints excluded: chain H residue 549 ILE Chi-restraints excluded: chain H residue 559 THR Chi-restraints excluded: chain H residue 564 ILE Chi-restraints excluded: chain H residue 570 ASP Chi-restraints excluded: chain H residue 573 ILE Chi-restraints excluded: chain H residue 576 GLU Chi-restraints excluded: chain I residue 12 TYR Chi-restraints excluded: chain I residue 13 LYS Chi-restraints excluded: chain I residue 14 ASP Chi-restraints excluded: chain I residue 15 ILE Chi-restraints excluded: chain I residue 19 PHE Chi-restraints excluded: chain I residue 24 VAL Chi-restraints excluded: chain I residue 25 ASP Chi-restraints excluded: chain I residue 32 VAL Chi-restraints excluded: chain I residue 33 GLN Chi-restraints excluded: chain I residue 34 ASP Chi-restraints excluded: chain I residue 35 MET Chi-restraints excluded: chain I residue 38 SER Chi-restraints excluded: chain I residue 39 ILE Chi-restraints excluded: chain I residue 41 SER Chi-restraints excluded: chain I residue 44 GLU Chi-restraints excluded: chain I residue 50 MET Chi-restraints excluded: chain I residue 51 SER Chi-restraints excluded: chain I residue 56 SER Chi-restraints excluded: chain I residue 58 THR Chi-restraints excluded: chain I residue 65 LEU Chi-restraints excluded: chain I residue 66 LEU Chi-restraints excluded: chain I residue 70 GLU Chi-restraints excluded: chain I residue 77 VAL Chi-restraints excluded: chain I residue 80 VAL Chi-restraints excluded: chain I residue 81 LEU Chi-restraints excluded: chain I residue 82 ARG Chi-restraints excluded: chain I residue 83 ILE Chi-restraints excluded: chain I residue 85 TYR Chi-restraints excluded: chain I residue 92 ILE Chi-restraints excluded: chain I residue 94 THR Chi-restraints excluded: chain I residue 97 ARG Chi-restraints excluded: chain I residue 100 SER Chi-restraints excluded: chain I residue 107 ILE Chi-restraints excluded: chain I residue 110 ARG Chi-restraints excluded: chain I residue 116 ASP Chi-restraints excluded: chain I residue 122 LYS Chi-restraints excluded: chain I residue 127 ARG Chi-restraints excluded: chain I residue 131 TYR Chi-restraints excluded: chain I residue 135 ARG Chi-restraints excluded: chain I residue 139 LEU Chi-restraints excluded: chain I residue 141 LEU Chi-restraints excluded: chain I residue 150 ASP Chi-restraints excluded: chain I residue 153 LEU Chi-restraints excluded: chain I residue 157 LYS Chi-restraints excluded: chain I residue 158 THR Chi-restraints excluded: chain I residue 160 VAL Chi-restraints excluded: chain I residue 166 LEU Chi-restraints excluded: chain I residue 167 SER Chi-restraints excluded: chain I residue 169 LYS Chi-restraints excluded: chain I residue 181 LEU Chi-restraints excluded: chain I residue 188 SER Chi-restraints excluded: chain I residue 191 THR Chi-restraints excluded: chain I residue 204 ASP Chi-restraints excluded: chain I residue 208 THR Chi-restraints excluded: chain I residue 221 ILE Chi-restraints excluded: chain I residue 225 GLN Chi-restraints excluded: chain I residue 230 ARG Chi-restraints excluded: chain I residue 234 SER Chi-restraints excluded: chain I residue 239 ASN Chi-restraints excluded: chain I residue 246 ASN Chi-restraints excluded: chain I residue 249 ASN Chi-restraints excluded: chain I residue 258 LEU Chi-restraints excluded: chain I residue 262 ILE Chi-restraints excluded: chain I residue 266 THR Chi-restraints excluded: chain I residue 273 ASP Chi-restraints excluded: chain I residue 279 THR Chi-restraints excluded: chain I residue 280 THR Chi-restraints excluded: chain I residue 281 THR Chi-restraints excluded: chain I residue 284 SER Chi-restraints excluded: chain I residue 285 LEU Chi-restraints excluded: chain I residue 288 HIS Chi-restraints excluded: chain I residue 291 THR Chi-restraints excluded: chain I residue 292 LEU Chi-restraints excluded: chain I residue 293 THR Chi-restraints excluded: chain I residue 305 LEU Chi-restraints excluded: chain I residue 319 THR Chi-restraints excluded: chain I residue 321 PRO Chi-restraints excluded: chain I residue 324 LEU Chi-restraints excluded: chain I residue 325 SER Chi-restraints excluded: chain I residue 327 ILE Chi-restraints excluded: chain I residue 329 GLU Chi-restraints excluded: chain I residue 333 ASP Chi-restraints excluded: chain I residue 338 TRP Chi-restraints excluded: chain I residue 339 ASP Chi-restraints excluded: chain I residue 342 LYS Chi-restraints excluded: chain I residue 343 HIS Chi-restraints excluded: chain I residue 349 LEU Chi-restraints excluded: chain I residue 351 THR Chi-restraints excluded: chain I residue 352 ILE Chi-restraints excluded: chain I residue 353 ILE Chi-restraints excluded: chain I residue 359 VAL Chi-restraints excluded: chain I residue 370 ASP Chi-restraints excluded: chain I residue 371 ARG Chi-restraints excluded: chain I residue 373 SER Chi-restraints excluded: chain I residue 381 ILE Chi-restraints excluded: chain I residue 383 THR Chi-restraints excluded: chain I residue 384 ILE Chi-restraints excluded: chain I residue 385 LEU Chi-restraints excluded: chain I residue 387 SER Chi-restraints excluded: chain I residue 389 ILE Chi-restraints excluded: chain I residue 396 SER Chi-restraints excluded: chain I residue 398 VAL Chi-restraints excluded: chain I residue 400 VAL Chi-restraints excluded: chain I residue 406 HIS Chi-restraints excluded: chain I residue 407 LYS Chi-restraints excluded: chain I residue 408 TYR Chi-restraints excluded: chain I residue 411 VAL Chi-restraints excluded: chain I residue 413 LYS Chi-restraints excluded: chain I residue 414 GLN Chi-restraints excluded: chain I residue 425 ILE Chi-restraints excluded: chain I residue 428 GLU Chi-restraints excluded: chain I residue 431 VAL Chi-restraints excluded: chain I residue 447 TYR Chi-restraints excluded: chain I residue 452 THR Chi-restraints excluded: chain I residue 456 ASP Chi-restraints excluded: chain I residue 459 ILE Chi-restraints excluded: chain I residue 462 TYR Chi-restraints excluded: chain I residue 463 LEU Chi-restraints excluded: chain I residue 471 ILE Chi-restraints excluded: chain I residue 478 ILE Chi-restraints excluded: chain I residue 479 GLU Chi-restraints excluded: chain I residue 480 HIS Chi-restraints excluded: chain I residue 485 THR Chi-restraints excluded: chain I residue 487 PHE Chi-restraints excluded: chain I residue 489 MET Chi-restraints excluded: chain I residue 494 PHE Chi-restraints excluded: chain I residue 496 PHE Chi-restraints excluded: chain I residue 497 LEU Chi-restraints excluded: chain I residue 499 GLN Chi-restraints excluded: chain I residue 501 ILE Chi-restraints excluded: chain I residue 516 ASN Chi-restraints excluded: chain I residue 524 TYR Chi-restraints excluded: chain I residue 528 ILE Chi-restraints excluded: chain I residue 536 GLU Chi-restraints excluded: chain I residue 539 VAL Chi-restraints excluded: chain I residue 544 ASP Chi-restraints excluded: chain I residue 559 THR Chi-restraints excluded: chain I residue 564 ILE Chi-restraints excluded: chain I residue 576 GLU Chi-restraints excluded: chain I residue 580 GLN Chi-restraints excluded: chain J residue 12 TYR Chi-restraints excluded: chain J residue 13 LYS Chi-restraints excluded: chain J residue 20 GLU Chi-restraints excluded: chain J residue 25 ASP Chi-restraints excluded: chain J residue 33 GLN Chi-restraints excluded: chain J residue 34 ASP Chi-restraints excluded: chain J residue 35 MET Chi-restraints excluded: chain J residue 38 SER Chi-restraints excluded: chain J residue 40 LEU Chi-restraints excluded: chain J residue 41 SER Chi-restraints excluded: chain J residue 44 GLU Chi-restraints excluded: chain J residue 46 ASP Chi-restraints excluded: chain J residue 51 SER Chi-restraints excluded: chain J residue 58 THR Chi-restraints excluded: chain J residue 77 VAL Chi-restraints excluded: chain J residue 80 VAL Chi-restraints excluded: chain J residue 82 ARG Chi-restraints excluded: chain J residue 92 ILE Chi-restraints excluded: chain J residue 93 LYS Chi-restraints excluded: chain J residue 100 SER Chi-restraints excluded: chain J residue 101 MET Chi-restraints excluded: chain J residue 104 ARG Chi-restraints excluded: chain J residue 107 ILE Chi-restraints excluded: chain J residue 110 ARG Chi-restraints excluded: chain J residue 116 ASP Chi-restraints excluded: chain J residue 127 ARG Chi-restraints excluded: chain J residue 131 TYR Chi-restraints excluded: chain J residue 133 LYS Chi-restraints excluded: chain J residue 135 ARG Chi-restraints excluded: chain J residue 141 LEU Chi-restraints excluded: chain J residue 153 LEU Chi-restraints excluded: chain J residue 157 LYS Chi-restraints excluded: chain J residue 158 THR Chi-restraints excluded: chain J residue 162 LEU Chi-restraints excluded: chain J residue 164 VAL Chi-restraints excluded: chain J residue 166 LEU Chi-restraints excluded: chain J residue 167 SER Chi-restraints excluded: chain J residue 173 LYS Chi-restraints excluded: chain J residue 177 LYS Chi-restraints excluded: chain J residue 179 PHE Chi-restraints excluded: chain J residue 193 LEU Chi-restraints excluded: chain J residue 199 LEU Chi-restraints excluded: chain J residue 203 ILE Chi-restraints excluded: chain J residue 204 ASP Chi-restraints excluded: chain J residue 208 THR Chi-restraints excluded: chain J residue 211 SER Chi-restraints excluded: chain J residue 217 ILE Chi-restraints excluded: chain J residue 218 LYS Chi-restraints excluded: chain J residue 221 ILE Chi-restraints excluded: chain J residue 230 ARG Chi-restraints excluded: chain J residue 234 SER Chi-restraints excluded: chain J residue 236 PRO Chi-restraints excluded: chain J residue 239 ASN Chi-restraints excluded: chain J residue 242 LEU Chi-restraints excluded: chain J residue 245 LEU Chi-restraints excluded: chain J residue 247 VAL Chi-restraints excluded: chain J residue 249 ASN Chi-restraints excluded: chain J residue 251 LYS Chi-restraints excluded: chain J residue 254 ASN Chi-restraints excluded: chain J residue 256 PHE Chi-restraints excluded: chain J residue 258 LEU Chi-restraints excluded: chain J residue 266 THR Chi-restraints excluded: chain J residue 267 ARG Chi-restraints excluded: chain J residue 271 VAL Chi-restraints excluded: chain J residue 273 ASP Chi-restraints excluded: chain J residue 280 THR Chi-restraints excluded: chain J residue 281 THR Chi-restraints excluded: chain J residue 285 LEU Chi-restraints excluded: chain J residue 288 HIS Chi-restraints excluded: chain J residue 290 MET Chi-restraints excluded: chain J residue 292 LEU Chi-restraints excluded: chain J residue 293 THR Chi-restraints excluded: chain J residue 297 VAL Chi-restraints excluded: chain J residue 299 SER Chi-restraints excluded: chain J residue 307 CYS Chi-restraints excluded: chain J residue 319 THR Chi-restraints excluded: chain J residue 321 PRO Chi-restraints excluded: chain J residue 322 ARG Chi-restraints excluded: chain J residue 323 ARG Chi-restraints excluded: chain J residue 324 LEU Chi-restraints excluded: chain J residue 325 SER Chi-restraints excluded: chain J residue 327 ILE Chi-restraints excluded: chain J residue 331 ILE Chi-restraints excluded: chain J residue 333 ASP Chi-restraints excluded: chain J residue 338 TRP Chi-restraints excluded: chain J residue 339 ASP Chi-restraints excluded: chain J residue 342 LYS Chi-restraints excluded: chain J residue 349 LEU Chi-restraints excluded: chain J residue 351 THR Chi-restraints excluded: chain J residue 352 ILE Chi-restraints excluded: chain J residue 353 ILE Chi-restraints excluded: chain J residue 359 VAL Chi-restraints excluded: chain J residue 360 LEU Chi-restraints excluded: chain J residue 367 LYS Chi-restraints excluded: chain J residue 370 ASP Chi-restraints excluded: chain J residue 373 SER Chi-restraints excluded: chain J residue 378 SER Chi-restraints excluded: chain J residue 381 ILE Chi-restraints excluded: chain J residue 383 THR Chi-restraints excluded: chain J residue 384 ILE Chi-restraints excluded: chain J residue 385 LEU Chi-restraints excluded: chain J residue 387 SER Chi-restraints excluded: chain J residue 397 ASP Chi-restraints excluded: chain J residue 398 VAL Chi-restraints excluded: chain J residue 406 HIS Chi-restraints excluded: chain J residue 407 LYS Chi-restraints excluded: chain J residue 408 TYR Chi-restraints excluded: chain J residue 413 LYS Chi-restraints excluded: chain J residue 419 THR Chi-restraints excluded: chain J residue 421 SER Chi-restraints excluded: chain J residue 428 GLU Chi-restraints excluded: chain J residue 431 VAL Chi-restraints excluded: chain J residue 447 TYR Chi-restraints excluded: chain J residue 451 LYS Chi-restraints excluded: chain J residue 452 THR Chi-restraints excluded: chain J residue 456 ASP Chi-restraints excluded: chain J residue 457 ASP Chi-restraints excluded: chain J residue 476 LYS Chi-restraints excluded: chain J residue 478 ILE Chi-restraints excluded: chain J residue 480 HIS Chi-restraints excluded: chain J residue 484 MET Chi-restraints excluded: chain J residue 489 MET Chi-restraints excluded: chain J residue 494 PHE Chi-restraints excluded: chain J residue 496 PHE Chi-restraints excluded: chain J residue 497 LEU Chi-restraints excluded: chain J residue 499 GLN Chi-restraints excluded: chain J residue 501 ILE Chi-restraints excluded: chain J residue 516 ASN Chi-restraints excluded: chain J residue 522 LYS Chi-restraints excluded: chain J residue 526 PRO Chi-restraints excluded: chain J residue 528 ILE Chi-restraints excluded: chain J residue 533 PRO Chi-restraints excluded: chain J residue 535 TYR Chi-restraints excluded: chain J residue 536 GLU Chi-restraints excluded: chain J residue 539 VAL Chi-restraints excluded: chain J residue 544 ASP Chi-restraints excluded: chain J residue 549 ILE Chi-restraints excluded: chain J residue 559 THR Chi-restraints excluded: chain J residue 564 ILE Chi-restraints excluded: chain J residue 570 ASP Chi-restraints excluded: chain J residue 573 ILE Chi-restraints excluded: chain J residue 576 GLU Chi-restraints excluded: chain K residue 12 TYR Chi-restraints excluded: chain K residue 13 LYS Chi-restraints excluded: chain K residue 14 ASP Chi-restraints excluded: chain K residue 15 ILE Chi-restraints excluded: chain K residue 19 PHE Chi-restraints excluded: chain K residue 25 ASP Chi-restraints excluded: chain K residue 26 ASN Chi-restraints excluded: chain K residue 32 VAL Chi-restraints excluded: chain K residue 33 GLN Chi-restraints excluded: chain K residue 34 ASP Chi-restraints excluded: chain K residue 35 MET Chi-restraints excluded: chain K residue 38 SER Chi-restraints excluded: chain K residue 39 ILE Chi-restraints excluded: chain K residue 41 SER Chi-restraints excluded: chain K residue 44 GLU Chi-restraints excluded: chain K residue 50 MET Chi-restraints excluded: chain K residue 51 SER Chi-restraints excluded: chain K residue 56 SER Chi-restraints excluded: chain K residue 58 THR Chi-restraints excluded: chain K residue 65 LEU Chi-restraints excluded: chain K residue 66 LEU Chi-restraints excluded: chain K residue 70 GLU Chi-restraints excluded: chain K residue 77 VAL Chi-restraints excluded: chain K residue 79 GLU Chi-restraints excluded: chain K residue 80 VAL Chi-restraints excluded: chain K residue 81 LEU Chi-restraints excluded: chain K residue 82 ARG Chi-restraints excluded: chain K residue 83 ILE Chi-restraints excluded: chain K residue 85 TYR Chi-restraints excluded: chain K residue 92 ILE Chi-restraints excluded: chain K residue 94 THR Chi-restraints excluded: chain K residue 97 ARG Chi-restraints excluded: chain K residue 100 SER Chi-restraints excluded: chain K residue 103 THR Chi-restraints excluded: chain K residue 107 ILE Chi-restraints excluded: chain K residue 110 ARG Chi-restraints excluded: chain K residue 122 LYS Chi-restraints excluded: chain K residue 127 ARG Chi-restraints excluded: chain K residue 131 TYR Chi-restraints excluded: chain K residue 135 ARG Chi-restraints excluded: chain K residue 139 LEU Chi-restraints excluded: chain K residue 141 LEU Chi-restraints excluded: chain K residue 150 ASP Chi-restraints excluded: chain K residue 153 LEU Chi-restraints excluded: chain K residue 157 LYS Chi-restraints excluded: chain K residue 158 THR Chi-restraints excluded: chain K residue 160 VAL Chi-restraints excluded: chain K residue 166 LEU Chi-restraints excluded: chain K residue 167 SER Chi-restraints excluded: chain K residue 169 LYS Chi-restraints excluded: chain K residue 181 LEU Chi-restraints excluded: chain K residue 188 SER Chi-restraints excluded: chain K residue 191 THR Chi-restraints excluded: chain K residue 193 LEU Chi-restraints excluded: chain K residue 204 ASP Chi-restraints excluded: chain K residue 208 THR Chi-restraints excluded: chain K residue 221 ILE Chi-restraints excluded: chain K residue 225 GLN Chi-restraints excluded: chain K residue 230 ARG Chi-restraints excluded: chain K residue 231 LEU Chi-restraints excluded: chain K residue 234 SER Chi-restraints excluded: chain K residue 239 ASN Chi-restraints excluded: chain K residue 246 ASN Chi-restraints excluded: chain K residue 251 LYS Chi-restraints excluded: chain K residue 258 LEU Chi-restraints excluded: chain K residue 262 ILE Chi-restraints excluded: chain K residue 264 LEU Chi-restraints excluded: chain K residue 266 THR Chi-restraints excluded: chain K residue 273 ASP Chi-restraints excluded: chain K residue 279 THR Chi-restraints excluded: chain K residue 280 THR Chi-restraints excluded: chain K residue 281 THR Chi-restraints excluded: chain K residue 284 SER Chi-restraints excluded: chain K residue 285 LEU Chi-restraints excluded: chain K residue 288 HIS Chi-restraints excluded: chain K residue 291 THR Chi-restraints excluded: chain K residue 292 LEU Chi-restraints excluded: chain K residue 293 THR Chi-restraints excluded: chain K residue 305 LEU Chi-restraints excluded: chain K residue 319 THR Chi-restraints excluded: chain K residue 321 PRO Chi-restraints excluded: chain K residue 323 ARG Chi-restraints excluded: chain K residue 324 LEU Chi-restraints excluded: chain K residue 325 SER Chi-restraints excluded: chain K residue 326 ILE Chi-restraints excluded: chain K residue 327 ILE Chi-restraints excluded: chain K residue 329 GLU Chi-restraints excluded: chain K residue 331 ILE Chi-restraints excluded: chain K residue 333 ASP Chi-restraints excluded: chain K residue 338 TRP Chi-restraints excluded: chain K residue 339 ASP Chi-restraints excluded: chain K residue 342 LYS Chi-restraints excluded: chain K residue 343 HIS Chi-restraints excluded: chain K residue 351 THR Chi-restraints excluded: chain K residue 353 ILE Chi-restraints excluded: chain K residue 359 VAL Chi-restraints excluded: chain K residue 370 ASP Chi-restraints excluded: chain K residue 371 ARG Chi-restraints excluded: chain K residue 373 SER Chi-restraints excluded: chain K residue 381 ILE Chi-restraints excluded: chain K residue 383 THR Chi-restraints excluded: chain K residue 384 ILE Chi-restraints excluded: chain K residue 385 LEU Chi-restraints excluded: chain K residue 387 SER Chi-restraints excluded: chain K residue 389 ILE Chi-restraints excluded: chain K residue 396 SER Chi-restraints excluded: chain K residue 398 VAL Chi-restraints excluded: chain K residue 400 VAL Chi-restraints excluded: chain K residue 406 HIS Chi-restraints excluded: chain K residue 407 LYS Chi-restraints excluded: chain K residue 408 TYR Chi-restraints excluded: chain K residue 411 VAL Chi-restraints excluded: chain K residue 413 LYS Chi-restraints excluded: chain K residue 414 GLN Chi-restraints excluded: chain K residue 425 ILE Chi-restraints excluded: chain K residue 431 VAL Chi-restraints excluded: chain K residue 447 TYR Chi-restraints excluded: chain K residue 452 THR Chi-restraints excluded: chain K residue 456 ASP Chi-restraints excluded: chain K residue 459 ILE Chi-restraints excluded: chain K residue 462 TYR Chi-restraints excluded: chain K residue 463 LEU Chi-restraints excluded: chain K residue 471 ILE Chi-restraints excluded: chain K residue 478 ILE Chi-restraints excluded: chain K residue 480 HIS Chi-restraints excluded: chain K residue 485 THR Chi-restraints excluded: chain K residue 487 PHE Chi-restraints excluded: chain K residue 489 MET Chi-restraints excluded: chain K residue 494 PHE Chi-restraints excluded: chain K residue 496 PHE Chi-restraints excluded: chain K residue 497 LEU Chi-restraints excluded: chain K residue 499 GLN Chi-restraints excluded: chain K residue 501 ILE Chi-restraints excluded: chain K residue 516 ASN Chi-restraints excluded: chain K residue 524 TYR Chi-restraints excluded: chain K residue 528 ILE Chi-restraints excluded: chain K residue 535 TYR Chi-restraints excluded: chain K residue 536 GLU Chi-restraints excluded: chain K residue 539 VAL Chi-restraints excluded: chain K residue 544 ASP Chi-restraints excluded: chain K residue 549 ILE Chi-restraints excluded: chain K residue 559 THR Chi-restraints excluded: chain K residue 564 ILE Chi-restraints excluded: chain K residue 576 GLU Chi-restraints excluded: chain K residue 580 GLN Chi-restraints excluded: chain L residue 12 TYR Chi-restraints excluded: chain L residue 13 LYS Chi-restraints excluded: chain L residue 19 PHE Chi-restraints excluded: chain L residue 20 GLU Chi-restraints excluded: chain L residue 25 ASP Chi-restraints excluded: chain L residue 33 GLN Chi-restraints excluded: chain L residue 34 ASP Chi-restraints excluded: chain L residue 38 SER Chi-restraints excluded: chain L residue 40 LEU Chi-restraints excluded: chain L residue 41 SER Chi-restraints excluded: chain L residue 44 GLU Chi-restraints excluded: chain L residue 46 ASP Chi-restraints excluded: chain L residue 50 MET Chi-restraints excluded: chain L residue 51 SER Chi-restraints excluded: chain L residue 58 THR Chi-restraints excluded: chain L residue 77 VAL Chi-restraints excluded: chain L residue 80 VAL Chi-restraints excluded: chain L residue 82 ARG Chi-restraints excluded: chain L residue 87 PHE Chi-restraints excluded: chain L residue 89 MET Chi-restraints excluded: chain L residue 92 ILE Chi-restraints excluded: chain L residue 93 LYS Chi-restraints excluded: chain L residue 100 SER Chi-restraints excluded: chain L residue 101 MET Chi-restraints excluded: chain L residue 104 ARG Chi-restraints excluded: chain L residue 107 ILE Chi-restraints excluded: chain L residue 110 ARG Chi-restraints excluded: chain L residue 116 ASP Chi-restraints excluded: chain L residue 127 ARG Chi-restraints excluded: chain L residue 131 TYR Chi-restraints excluded: chain L residue 133 LYS Chi-restraints excluded: chain L residue 135 ARG Chi-restraints excluded: chain L residue 141 LEU Chi-restraints excluded: chain L residue 153 LEU Chi-restraints excluded: chain L residue 157 LYS Chi-restraints excluded: chain L residue 158 THR Chi-restraints excluded: chain L residue 162 LEU Chi-restraints excluded: chain L residue 164 VAL Chi-restraints excluded: chain L residue 166 LEU Chi-restraints excluded: chain L residue 167 SER Chi-restraints excluded: chain L residue 173 LYS Chi-restraints excluded: chain L residue 177 LYS Chi-restraints excluded: chain L residue 179 PHE Chi-restraints excluded: chain L residue 193 LEU Chi-restraints excluded: chain L residue 199 LEU Chi-restraints excluded: chain L residue 204 ASP Chi-restraints excluded: chain L residue 208 THR Chi-restraints excluded: chain L residue 210 ARG Chi-restraints excluded: chain L residue 211 SER Chi-restraints excluded: chain L residue 217 ILE Chi-restraints excluded: chain L residue 218 LYS Chi-restraints excluded: chain L residue 221 ILE Chi-restraints excluded: chain L residue 230 ARG Chi-restraints excluded: chain L residue 234 SER Chi-restraints excluded: chain L residue 236 PRO Chi-restraints excluded: chain L residue 239 ASN Chi-restraints excluded: chain L residue 242 LEU Chi-restraints excluded: chain L residue 245 LEU Chi-restraints excluded: chain L residue 247 VAL Chi-restraints excluded: chain L residue 249 ASN Chi-restraints excluded: chain L residue 254 ASN Chi-restraints excluded: chain L residue 256 PHE Chi-restraints excluded: chain L residue 258 LEU Chi-restraints excluded: chain L residue 266 THR Chi-restraints excluded: chain L residue 267 ARG Chi-restraints excluded: chain L residue 271 VAL Chi-restraints excluded: chain L residue 273 ASP Chi-restraints excluded: chain L residue 280 THR Chi-restraints excluded: chain L residue 281 THR Chi-restraints excluded: chain L residue 285 LEU Chi-restraints excluded: chain L residue 288 HIS Chi-restraints excluded: chain L residue 290 MET Chi-restraints excluded: chain L residue 292 LEU Chi-restraints excluded: chain L residue 293 THR Chi-restraints excluded: chain L residue 297 VAL Chi-restraints excluded: chain L residue 299 SER Chi-restraints excluded: chain L residue 307 CYS Chi-restraints excluded: chain L residue 319 THR Chi-restraints excluded: chain L residue 321 PRO Chi-restraints excluded: chain L residue 322 ARG Chi-restraints excluded: chain L residue 323 ARG Chi-restraints excluded: chain L residue 324 LEU Chi-restraints excluded: chain L residue 325 SER Chi-restraints excluded: chain L residue 327 ILE Chi-restraints excluded: chain L residue 331 ILE Chi-restraints excluded: chain L residue 333 ASP Chi-restraints excluded: chain L residue 338 TRP Chi-restraints excluded: chain L residue 339 ASP Chi-restraints excluded: chain L residue 342 LYS Chi-restraints excluded: chain L residue 349 LEU Chi-restraints excluded: chain L residue 351 THR Chi-restraints excluded: chain L residue 352 ILE Chi-restraints excluded: chain L residue 353 ILE Chi-restraints excluded: chain L residue 359 VAL Chi-restraints excluded: chain L residue 367 LYS Chi-restraints excluded: chain L residue 370 ASP Chi-restraints excluded: chain L residue 373 SER Chi-restraints excluded: chain L residue 378 SER Chi-restraints excluded: chain L residue 381 ILE Chi-restraints excluded: chain L residue 383 THR Chi-restraints excluded: chain L residue 384 ILE Chi-restraints excluded: chain L residue 385 LEU Chi-restraints excluded: chain L residue 387 SER Chi-restraints excluded: chain L residue 397 ASP Chi-restraints excluded: chain L residue 398 VAL Chi-restraints excluded: chain L residue 406 HIS Chi-restraints excluded: chain L residue 407 LYS Chi-restraints excluded: chain L residue 408 TYR Chi-restraints excluded: chain L residue 413 LYS Chi-restraints excluded: chain L residue 419 THR Chi-restraints excluded: chain L residue 421 SER Chi-restraints excluded: chain L residue 428 GLU Chi-restraints excluded: chain L residue 431 VAL Chi-restraints excluded: chain L residue 443 ILE Chi-restraints excluded: chain L residue 447 TYR Chi-restraints excluded: chain L residue 451 LYS Chi-restraints excluded: chain L residue 452 THR Chi-restraints excluded: chain L residue 456 ASP Chi-restraints excluded: chain L residue 457 ASP Chi-restraints excluded: chain L residue 478 ILE Chi-restraints excluded: chain L residue 480 HIS Chi-restraints excluded: chain L residue 484 MET Chi-restraints excluded: chain L residue 485 THR Chi-restraints excluded: chain L residue 489 MET Chi-restraints excluded: chain L residue 494 PHE Chi-restraints excluded: chain L residue 496 PHE Chi-restraints excluded: chain L residue 497 LEU Chi-restraints excluded: chain L residue 499 GLN Chi-restraints excluded: chain L residue 501 ILE Chi-restraints excluded: chain L residue 516 ASN Chi-restraints excluded: chain L residue 526 PRO Chi-restraints excluded: chain L residue 528 ILE Chi-restraints excluded: chain L residue 533 PRO Chi-restraints excluded: chain L residue 535 TYR Chi-restraints excluded: chain L residue 536 GLU Chi-restraints excluded: chain L residue 539 VAL Chi-restraints excluded: chain L residue 544 ASP Chi-restraints excluded: chain L residue 549 ILE Chi-restraints excluded: chain L residue 559 THR Chi-restraints excluded: chain L residue 564 ILE Chi-restraints excluded: chain L residue 570 ASP Chi-restraints excluded: chain L residue 573 ILE Chi-restraints excluded: chain L residue 576 GLU Chi-restraints excluded: chain M residue 11 GLN Chi-restraints excluded: chain M residue 12 TYR Chi-restraints excluded: chain M residue 13 LYS Chi-restraints excluded: chain M residue 14 ASP Chi-restraints excluded: chain M residue 15 ILE Chi-restraints excluded: chain M residue 19 PHE Chi-restraints excluded: chain M residue 25 ASP Chi-restraints excluded: chain M residue 26 ASN Chi-restraints excluded: chain M residue 32 VAL Chi-restraints excluded: chain M residue 33 GLN Chi-restraints excluded: chain M residue 34 ASP Chi-restraints excluded: chain M residue 35 MET Chi-restraints excluded: chain M residue 38 SER Chi-restraints excluded: chain M residue 39 ILE Chi-restraints excluded: chain M residue 41 SER Chi-restraints excluded: chain M residue 44 GLU Chi-restraints excluded: chain M residue 50 MET Chi-restraints excluded: chain M residue 51 SER Chi-restraints excluded: chain M residue 58 THR Chi-restraints excluded: chain M residue 65 LEU Chi-restraints excluded: chain M residue 66 LEU Chi-restraints excluded: chain M residue 77 VAL Chi-restraints excluded: chain M residue 79 GLU Chi-restraints excluded: chain M residue 80 VAL Chi-restraints excluded: chain M residue 81 LEU Chi-restraints excluded: chain M residue 82 ARG Chi-restraints excluded: chain M residue 83 ILE Chi-restraints excluded: chain M residue 85 TYR Chi-restraints excluded: chain M residue 92 ILE Chi-restraints excluded: chain M residue 94 THR Chi-restraints excluded: chain M residue 100 SER Chi-restraints excluded: chain M residue 103 THR Chi-restraints excluded: chain M residue 107 ILE Chi-restraints excluded: chain M residue 110 ARG Chi-restraints excluded: chain M residue 122 LYS Chi-restraints excluded: chain M residue 127 ARG Chi-restraints excluded: chain M residue 131 TYR Chi-restraints excluded: chain M residue 135 ARG Chi-restraints excluded: chain M residue 139 LEU Chi-restraints excluded: chain M residue 140 GLU Chi-restraints excluded: chain M residue 141 LEU Chi-restraints excluded: chain M residue 150 ASP Chi-restraints excluded: chain M residue 153 LEU Chi-restraints excluded: chain M residue 157 LYS Chi-restraints excluded: chain M residue 158 THR Chi-restraints excluded: chain M residue 160 VAL Chi-restraints excluded: chain M residue 166 LEU Chi-restraints excluded: chain M residue 167 SER Chi-restraints excluded: chain M residue 169 LYS Chi-restraints excluded: chain M residue 188 SER Chi-restraints excluded: chain M residue 191 THR Chi-restraints excluded: chain M residue 204 ASP Chi-restraints excluded: chain M residue 208 THR Chi-restraints excluded: chain M residue 217 ILE Chi-restraints excluded: chain M residue 221 ILE Chi-restraints excluded: chain M residue 225 GLN Chi-restraints excluded: chain M residue 230 ARG Chi-restraints excluded: chain M residue 234 SER Chi-restraints excluded: chain M residue 246 ASN Chi-restraints excluded: chain M residue 258 LEU Chi-restraints excluded: chain M residue 262 ILE Chi-restraints excluded: chain M residue 266 THR Chi-restraints excluded: chain M residue 273 ASP Chi-restraints excluded: chain M residue 274 PHE Chi-restraints excluded: chain M residue 279 THR Chi-restraints excluded: chain M residue 280 THR Chi-restraints excluded: chain M residue 281 THR Chi-restraints excluded: chain M residue 284 SER Chi-restraints excluded: chain M residue 285 LEU Chi-restraints excluded: chain M residue 288 HIS Chi-restraints excluded: chain M residue 291 THR Chi-restraints excluded: chain M residue 292 LEU Chi-restraints excluded: chain M residue 293 THR Chi-restraints excluded: chain M residue 298 LYS Chi-restraints excluded: chain M residue 305 LEU Chi-restraints excluded: chain M residue 319 THR Chi-restraints excluded: chain M residue 321 PRO Chi-restraints excluded: chain M residue 323 ARG Chi-restraints excluded: chain M residue 324 LEU Chi-restraints excluded: chain M residue 325 SER Chi-restraints excluded: chain M residue 326 ILE Chi-restraints excluded: chain M residue 327 ILE Chi-restraints excluded: chain M residue 329 GLU Chi-restraints excluded: chain M residue 333 ASP Chi-restraints excluded: chain M residue 338 TRP Chi-restraints excluded: chain M residue 339 ASP Chi-restraints excluded: chain M residue 342 LYS Chi-restraints excluded: chain M residue 343 HIS Chi-restraints excluded: chain M residue 349 LEU Chi-restraints excluded: chain M residue 351 THR Chi-restraints excluded: chain M residue 352 ILE Chi-restraints excluded: chain M residue 353 ILE Chi-restraints excluded: chain M residue 355 SER Chi-restraints excluded: chain M residue 359 VAL Chi-restraints excluded: chain M residue 365 TYR Chi-restraints excluded: chain M residue 370 ASP Chi-restraints excluded: chain M residue 371 ARG Chi-restraints excluded: chain M residue 373 SER Chi-restraints excluded: chain M residue 381 ILE Chi-restraints excluded: chain M residue 383 THR Chi-restraints excluded: chain M residue 384 ILE Chi-restraints excluded: chain M residue 385 LEU Chi-restraints excluded: chain M residue 387 SER Chi-restraints excluded: chain M residue 389 ILE Chi-restraints excluded: chain M residue 400 VAL Chi-restraints excluded: chain M residue 406 HIS Chi-restraints excluded: chain M residue 407 LYS Chi-restraints excluded: chain M residue 408 TYR Chi-restraints excluded: chain M residue 411 VAL Chi-restraints excluded: chain M residue 413 LYS Chi-restraints excluded: chain M residue 414 GLN Chi-restraints excluded: chain M residue 425 ILE Chi-restraints excluded: chain M residue 428 GLU Chi-restraints excluded: chain M residue 431 VAL Chi-restraints excluded: chain M residue 447 TYR Chi-restraints excluded: chain M residue 456 ASP Chi-restraints excluded: chain M residue 459 ILE Chi-restraints excluded: chain M residue 462 TYR Chi-restraints excluded: chain M residue 463 LEU Chi-restraints excluded: chain M residue 471 ILE Chi-restraints excluded: chain M residue 478 ILE Chi-restraints excluded: chain M residue 479 GLU Chi-restraints excluded: chain M residue 480 HIS Chi-restraints excluded: chain M residue 485 THR Chi-restraints excluded: chain M residue 489 MET Chi-restraints excluded: chain M residue 496 PHE Chi-restraints excluded: chain M residue 497 LEU Chi-restraints excluded: chain M residue 499 GLN Chi-restraints excluded: chain M residue 501 ILE Chi-restraints excluded: chain M residue 516 ASN Chi-restraints excluded: chain M residue 524 TYR Chi-restraints excluded: chain M residue 528 ILE Chi-restraints excluded: chain M residue 535 TYR Chi-restraints excluded: chain M residue 536 GLU Chi-restraints excluded: chain M residue 539 VAL Chi-restraints excluded: chain M residue 544 ASP Chi-restraints excluded: chain M residue 549 ILE Chi-restraints excluded: chain M residue 559 THR Chi-restraints excluded: chain M residue 564 ILE Chi-restraints excluded: chain M residue 576 GLU Chi-restraints excluded: chain M residue 580 GLN Chi-restraints excluded: chain N residue 12 TYR Chi-restraints excluded: chain N residue 13 LYS Chi-restraints excluded: chain N residue 19 PHE Chi-restraints excluded: chain N residue 20 GLU Chi-restraints excluded: chain N residue 25 ASP Chi-restraints excluded: chain N residue 33 GLN Chi-restraints excluded: chain N residue 34 ASP Chi-restraints excluded: chain N residue 38 SER Chi-restraints excluded: chain N residue 40 LEU Chi-restraints excluded: chain N residue 41 SER Chi-restraints excluded: chain N residue 44 GLU Chi-restraints excluded: chain N residue 46 ASP Chi-restraints excluded: chain N residue 51 SER Chi-restraints excluded: chain N residue 58 THR Chi-restraints excluded: chain N residue 77 VAL Chi-restraints excluded: chain N residue 80 VAL Chi-restraints excluded: chain N residue 82 ARG Chi-restraints excluded: chain N residue 87 PHE Chi-restraints excluded: chain N residue 93 LYS Chi-restraints excluded: chain N residue 100 SER Chi-restraints excluded: chain N residue 101 MET Chi-restraints excluded: chain N residue 104 ARG Chi-restraints excluded: chain N residue 107 ILE Chi-restraints excluded: chain N residue 110 ARG Chi-restraints excluded: chain N residue 116 ASP Chi-restraints excluded: chain N residue 127 ARG Chi-restraints excluded: chain N residue 131 TYR Chi-restraints excluded: chain N residue 133 LYS Chi-restraints excluded: chain N residue 135 ARG Chi-restraints excluded: chain N residue 141 LEU Chi-restraints excluded: chain N residue 157 LYS Chi-restraints excluded: chain N residue 158 THR Chi-restraints excluded: chain N residue 162 LEU Chi-restraints excluded: chain N residue 164 VAL Chi-restraints excluded: chain N residue 166 LEU Chi-restraints excluded: chain N residue 167 SER Chi-restraints excluded: chain N residue 173 LYS Chi-restraints excluded: chain N residue 177 LYS Chi-restraints excluded: chain N residue 188 SER Chi-restraints excluded: chain N residue 193 LEU Chi-restraints excluded: chain N residue 199 LEU Chi-restraints excluded: chain N residue 203 ILE Chi-restraints excluded: chain N residue 204 ASP Chi-restraints excluded: chain N residue 208 THR Chi-restraints excluded: chain N residue 210 ARG Chi-restraints excluded: chain N residue 211 SER Chi-restraints excluded: chain N residue 217 ILE Chi-restraints excluded: chain N residue 218 LYS Chi-restraints excluded: chain N residue 221 ILE Chi-restraints excluded: chain N residue 230 ARG Chi-restraints excluded: chain N residue 234 SER Chi-restraints excluded: chain N residue 236 PRO Chi-restraints excluded: chain N residue 239 ASN Chi-restraints excluded: chain N residue 242 LEU Chi-restraints excluded: chain N residue 245 LEU Chi-restraints excluded: chain N residue 247 VAL Chi-restraints excluded: chain N residue 249 ASN Chi-restraints excluded: chain N residue 254 ASN Chi-restraints excluded: chain N residue 256 PHE Chi-restraints excluded: chain N residue 258 LEU Chi-restraints excluded: chain N residue 266 THR Chi-restraints excluded: chain N residue 267 ARG Chi-restraints excluded: chain N residue 271 VAL Chi-restraints excluded: chain N residue 273 ASP Chi-restraints excluded: chain N residue 279 THR Chi-restraints excluded: chain N residue 280 THR Chi-restraints excluded: chain N residue 281 THR Chi-restraints excluded: chain N residue 288 HIS Chi-restraints excluded: chain N residue 290 MET Chi-restraints excluded: chain N residue 292 LEU Chi-restraints excluded: chain N residue 293 THR Chi-restraints excluded: chain N residue 297 VAL Chi-restraints excluded: chain N residue 299 SER Chi-restraints excluded: chain N residue 307 CYS Chi-restraints excluded: chain N residue 319 THR Chi-restraints excluded: chain N residue 321 PRO Chi-restraints excluded: chain N residue 322 ARG Chi-restraints excluded: chain N residue 323 ARG Chi-restraints excluded: chain N residue 324 LEU Chi-restraints excluded: chain N residue 325 SER Chi-restraints excluded: chain N residue 327 ILE Chi-restraints excluded: chain N residue 331 ILE Chi-restraints excluded: chain N residue 332 ARG Chi-restraints excluded: chain N residue 333 ASP Chi-restraints excluded: chain N residue 338 TRP Chi-restraints excluded: chain N residue 339 ASP Chi-restraints excluded: chain N residue 342 LYS Chi-restraints excluded: chain N residue 349 LEU Chi-restraints excluded: chain N residue 351 THR Chi-restraints excluded: chain N residue 352 ILE Chi-restraints excluded: chain N residue 353 ILE Chi-restraints excluded: chain N residue 359 VAL Chi-restraints excluded: chain N residue 360 LEU Chi-restraints excluded: chain N residue 367 LYS Chi-restraints excluded: chain N residue 370 ASP Chi-restraints excluded: chain N residue 373 SER Chi-restraints excluded: chain N residue 378 SER Chi-restraints excluded: chain N residue 381 ILE Chi-restraints excluded: chain N residue 383 THR Chi-restraints excluded: chain N residue 384 ILE Chi-restraints excluded: chain N residue 385 LEU Chi-restraints excluded: chain N residue 387 SER Chi-restraints excluded: chain N residue 397 ASP Chi-restraints excluded: chain N residue 398 VAL Chi-restraints excluded: chain N residue 406 HIS Chi-restraints excluded: chain N residue 407 LYS Chi-restraints excluded: chain N residue 408 TYR Chi-restraints excluded: chain N residue 413 LYS Chi-restraints excluded: chain N residue 419 THR Chi-restraints excluded: chain N residue 421 SER Chi-restraints excluded: chain N residue 428 GLU Chi-restraints excluded: chain N residue 443 ILE Chi-restraints excluded: chain N residue 447 TYR Chi-restraints excluded: chain N residue 451 LYS Chi-restraints excluded: chain N residue 452 THR Chi-restraints excluded: chain N residue 456 ASP Chi-restraints excluded: chain N residue 457 ASP Chi-restraints excluded: chain N residue 476 LYS Chi-restraints excluded: chain N residue 478 ILE Chi-restraints excluded: chain N residue 480 HIS Chi-restraints excluded: chain N residue 484 MET Chi-restraints excluded: chain N residue 494 PHE Chi-restraints excluded: chain N residue 496 PHE Chi-restraints excluded: chain N residue 497 LEU Chi-restraints excluded: chain N residue 499 GLN Chi-restraints excluded: chain N residue 501 ILE Chi-restraints excluded: chain N residue 516 ASN Chi-restraints excluded: chain N residue 528 ILE Chi-restraints excluded: chain N residue 533 PRO Chi-restraints excluded: chain N residue 535 TYR Chi-restraints excluded: chain N residue 536 GLU Chi-restraints excluded: chain N residue 539 VAL Chi-restraints excluded: chain N residue 544 ASP Chi-restraints excluded: chain N residue 549 ILE Chi-restraints excluded: chain N residue 559 THR Chi-restraints excluded: chain N residue 564 ILE Chi-restraints excluded: chain N residue 570 ASP Chi-restraints excluded: chain N residue 573 ILE Chi-restraints excluded: chain N residue 576 GLU Chi-restraints excluded: chain O residue 11 GLN Chi-restraints excluded: chain O residue 12 TYR Chi-restraints excluded: chain O residue 13 LYS Chi-restraints excluded: chain O residue 14 ASP Chi-restraints excluded: chain O residue 15 ILE Chi-restraints excluded: chain O residue 19 PHE Chi-restraints excluded: chain O residue 24 VAL Chi-restraints excluded: chain O residue 25 ASP Chi-restraints excluded: chain O residue 26 ASN Chi-restraints excluded: chain O residue 32 VAL Chi-restraints excluded: chain O residue 33 GLN Chi-restraints excluded: chain O residue 34 ASP Chi-restraints excluded: chain O residue 35 MET Chi-restraints excluded: chain O residue 38 SER Chi-restraints excluded: chain O residue 39 ILE Chi-restraints excluded: chain O residue 41 SER Chi-restraints excluded: chain O residue 44 GLU Chi-restraints excluded: chain O residue 50 MET Chi-restraints excluded: chain O residue 51 SER Chi-restraints excluded: chain O residue 56 SER Chi-restraints excluded: chain O residue 58 THR Chi-restraints excluded: chain O residue 65 LEU Chi-restraints excluded: chain O residue 66 LEU Chi-restraints excluded: chain O residue 77 VAL Chi-restraints excluded: chain O residue 79 GLU Chi-restraints excluded: chain O residue 80 VAL Chi-restraints excluded: chain O residue 81 LEU Chi-restraints excluded: chain O residue 82 ARG Chi-restraints excluded: chain O residue 83 ILE Chi-restraints excluded: chain O residue 85 TYR Chi-restraints excluded: chain O residue 87 PHE Chi-restraints excluded: chain O residue 92 ILE Chi-restraints excluded: chain O residue 94 THR Chi-restraints excluded: chain O residue 97 ARG Chi-restraints excluded: chain O residue 100 SER Chi-restraints excluded: chain O residue 103 THR Chi-restraints excluded: chain O residue 107 ILE Chi-restraints excluded: chain O residue 110 ARG Chi-restraints excluded: chain O residue 122 LYS Chi-restraints excluded: chain O residue 127 ARG Chi-restraints excluded: chain O residue 131 TYR Chi-restraints excluded: chain O residue 135 ARG Chi-restraints excluded: chain O residue 139 LEU Chi-restraints excluded: chain O residue 141 LEU Chi-restraints excluded: chain O residue 150 ASP Chi-restraints excluded: chain O residue 153 LEU Chi-restraints excluded: chain O residue 157 LYS Chi-restraints excluded: chain O residue 158 THR Chi-restraints excluded: chain O residue 160 VAL Chi-restraints excluded: chain O residue 166 LEU Chi-restraints excluded: chain O residue 167 SER Chi-restraints excluded: chain O residue 169 LYS Chi-restraints excluded: chain O residue 181 LEU Chi-restraints excluded: chain O residue 188 SER Chi-restraints excluded: chain O residue 191 THR Chi-restraints excluded: chain O residue 204 ASP Chi-restraints excluded: chain O residue 208 THR Chi-restraints excluded: chain O residue 217 ILE Chi-restraints excluded: chain O residue 221 ILE Chi-restraints excluded: chain O residue 225 GLN Chi-restraints excluded: chain O residue 230 ARG Chi-restraints excluded: chain O residue 231 LEU Chi-restraints excluded: chain O residue 234 SER Chi-restraints excluded: chain O residue 239 ASN Chi-restraints excluded: chain O residue 246 ASN Chi-restraints excluded: chain O residue 251 LYS Chi-restraints excluded: chain O residue 258 LEU Chi-restraints excluded: chain O residue 262 ILE Chi-restraints excluded: chain O residue 266 THR Chi-restraints excluded: chain O residue 273 ASP Chi-restraints excluded: chain O residue 280 THR Chi-restraints excluded: chain O residue 281 THR Chi-restraints excluded: chain O residue 284 SER Chi-restraints excluded: chain O residue 285 LEU Chi-restraints excluded: chain O residue 288 HIS Chi-restraints excluded: chain O residue 291 THR Chi-restraints excluded: chain O residue 292 LEU Chi-restraints excluded: chain O residue 293 THR Chi-restraints excluded: chain O residue 305 LEU Chi-restraints excluded: chain O residue 319 THR Chi-restraints excluded: chain O residue 321 PRO Chi-restraints excluded: chain O residue 323 ARG Chi-restraints excluded: chain O residue 324 LEU Chi-restraints excluded: chain O residue 325 SER Chi-restraints excluded: chain O residue 326 ILE Chi-restraints excluded: chain O residue 327 ILE Chi-restraints excluded: chain O residue 329 GLU Chi-restraints excluded: chain O residue 333 ASP Chi-restraints excluded: chain O residue 338 TRP Chi-restraints excluded: chain O residue 339 ASP Chi-restraints excluded: chain O residue 341 TRP Chi-restraints excluded: chain O residue 342 LYS Chi-restraints excluded: chain O residue 343 HIS Chi-restraints excluded: chain O residue 349 LEU Chi-restraints excluded: chain O residue 351 THR Chi-restraints excluded: chain O residue 352 ILE Chi-restraints excluded: chain O residue 353 ILE Chi-restraints excluded: chain O residue 355 SER Chi-restraints excluded: chain O residue 359 VAL Chi-restraints excluded: chain O residue 370 ASP Chi-restraints excluded: chain O residue 371 ARG Chi-restraints excluded: chain O residue 373 SER Chi-restraints excluded: chain O residue 381 ILE Chi-restraints excluded: chain O residue 383 THR Chi-restraints excluded: chain O residue 384 ILE Chi-restraints excluded: chain O residue 385 LEU Chi-restraints excluded: chain O residue 387 SER Chi-restraints excluded: chain O residue 389 ILE Chi-restraints excluded: chain O residue 396 SER Chi-restraints excluded: chain O residue 398 VAL Chi-restraints excluded: chain O residue 400 VAL Chi-restraints excluded: chain O residue 406 HIS Chi-restraints excluded: chain O residue 407 LYS Chi-restraints excluded: chain O residue 408 TYR Chi-restraints excluded: chain O residue 411 VAL Chi-restraints excluded: chain O residue 413 LYS Chi-restraints excluded: chain O residue 414 GLN Chi-restraints excluded: chain O residue 425 ILE Chi-restraints excluded: chain O residue 428 GLU Chi-restraints excluded: chain O residue 431 VAL Chi-restraints excluded: chain O residue 447 TYR Chi-restraints excluded: chain O residue 456 ASP Chi-restraints excluded: chain O residue 459 ILE Chi-restraints excluded: chain O residue 462 TYR Chi-restraints excluded: chain O residue 463 LEU Chi-restraints excluded: chain O residue 471 ILE Chi-restraints excluded: chain O residue 480 HIS Chi-restraints excluded: chain O residue 485 THR Chi-restraints excluded: chain O residue 487 PHE Chi-restraints excluded: chain O residue 489 MET Chi-restraints excluded: chain O residue 496 PHE Chi-restraints excluded: chain O residue 497 LEU Chi-restraints excluded: chain O residue 499 GLN Chi-restraints excluded: chain O residue 501 ILE Chi-restraints excluded: chain O residue 516 ASN Chi-restraints excluded: chain O residue 524 TYR Chi-restraints excluded: chain O residue 528 ILE Chi-restraints excluded: chain O residue 536 GLU Chi-restraints excluded: chain O residue 539 VAL Chi-restraints excluded: chain O residue 544 ASP Chi-restraints excluded: chain O residue 549 ILE Chi-restraints excluded: chain O residue 559 THR Chi-restraints excluded: chain O residue 564 ILE Chi-restraints excluded: chain O residue 576 GLU Chi-restraints excluded: chain O residue 580 GLN Chi-restraints excluded: chain P residue 12 TYR Chi-restraints excluded: chain P residue 13 LYS Chi-restraints excluded: chain P residue 19 PHE Chi-restraints excluded: chain P residue 25 ASP Chi-restraints excluded: chain P residue 33 GLN Chi-restraints excluded: chain P residue 34 ASP Chi-restraints excluded: chain P residue 38 SER Chi-restraints excluded: chain P residue 40 LEU Chi-restraints excluded: chain P residue 41 SER Chi-restraints excluded: chain P residue 44 GLU Chi-restraints excluded: chain P residue 46 ASP Chi-restraints excluded: chain P residue 51 SER Chi-restraints excluded: chain P residue 58 THR Chi-restraints excluded: chain P residue 74 GLN Chi-restraints excluded: chain P residue 77 VAL Chi-restraints excluded: chain P residue 80 VAL Chi-restraints excluded: chain P residue 81 LEU Chi-restraints excluded: chain P residue 82 ARG Chi-restraints excluded: chain P residue 87 PHE Chi-restraints excluded: chain P residue 89 MET Chi-restraints excluded: chain P residue 92 ILE Chi-restraints excluded: chain P residue 93 LYS Chi-restraints excluded: chain P residue 100 SER Chi-restraints excluded: chain P residue 101 MET Chi-restraints excluded: chain P residue 104 ARG Chi-restraints excluded: chain P residue 107 ILE Chi-restraints excluded: chain P residue 110 ARG Chi-restraints excluded: chain P residue 116 ASP Chi-restraints excluded: chain P residue 127 ARG Chi-restraints excluded: chain P residue 131 TYR Chi-restraints excluded: chain P residue 133 LYS Chi-restraints excluded: chain P residue 135 ARG Chi-restraints excluded: chain P residue 141 LEU Chi-restraints excluded: chain P residue 157 LYS Chi-restraints excluded: chain P residue 158 THR Chi-restraints excluded: chain P residue 162 LEU Chi-restraints excluded: chain P residue 164 VAL Chi-restraints excluded: chain P residue 166 LEU Chi-restraints excluded: chain P residue 167 SER Chi-restraints excluded: chain P residue 173 LYS Chi-restraints excluded: chain P residue 177 LYS Chi-restraints excluded: chain P residue 188 SER Chi-restraints excluded: chain P residue 193 LEU Chi-restraints excluded: chain P residue 199 LEU Chi-restraints excluded: chain P residue 203 ILE Chi-restraints excluded: chain P residue 204 ASP Chi-restraints excluded: chain P residue 208 THR Chi-restraints excluded: chain P residue 211 SER Chi-restraints excluded: chain P residue 217 ILE Chi-restraints excluded: chain P residue 218 LYS Chi-restraints excluded: chain P residue 221 ILE Chi-restraints excluded: chain P residue 230 ARG Chi-restraints excluded: chain P residue 236 PRO Chi-restraints excluded: chain P residue 239 ASN Chi-restraints excluded: chain P residue 242 LEU Chi-restraints excluded: chain P residue 245 LEU Chi-restraints excluded: chain P residue 247 VAL Chi-restraints excluded: chain P residue 249 ASN Chi-restraints excluded: chain P residue 254 ASN Chi-restraints excluded: chain P residue 256 PHE Chi-restraints excluded: chain P residue 258 LEU Chi-restraints excluded: chain P residue 266 THR Chi-restraints excluded: chain P residue 267 ARG Chi-restraints excluded: chain P residue 271 VAL Chi-restraints excluded: chain P residue 273 ASP Chi-restraints excluded: chain P residue 280 THR Chi-restraints excluded: chain P residue 281 THR Chi-restraints excluded: chain P residue 288 HIS Chi-restraints excluded: chain P residue 290 MET Chi-restraints excluded: chain P residue 292 LEU Chi-restraints excluded: chain P residue 293 THR Chi-restraints excluded: chain P residue 297 VAL Chi-restraints excluded: chain P residue 299 SER Chi-restraints excluded: chain P residue 307 CYS Chi-restraints excluded: chain P residue 319 THR Chi-restraints excluded: chain P residue 321 PRO Chi-restraints excluded: chain P residue 322 ARG Chi-restraints excluded: chain P residue 323 ARG Chi-restraints excluded: chain P residue 324 LEU Chi-restraints excluded: chain P residue 325 SER Chi-restraints excluded: chain P residue 327 ILE Chi-restraints excluded: chain P residue 331 ILE Chi-restraints excluded: chain P residue 333 ASP Chi-restraints excluded: chain P residue 338 TRP Chi-restraints excluded: chain P residue 339 ASP Chi-restraints excluded: chain P residue 342 LYS Chi-restraints excluded: chain P residue 349 LEU Chi-restraints excluded: chain P residue 351 THR Chi-restraints excluded: chain P residue 352 ILE Chi-restraints excluded: chain P residue 353 ILE Chi-restraints excluded: chain P residue 367 LYS Chi-restraints excluded: chain P residue 370 ASP Chi-restraints excluded: chain P residue 373 SER Chi-restraints excluded: chain P residue 378 SER Chi-restraints excluded: chain P residue 381 ILE Chi-restraints excluded: chain P residue 383 THR Chi-restraints excluded: chain P residue 384 ILE Chi-restraints excluded: chain P residue 385 LEU Chi-restraints excluded: chain P residue 387 SER Chi-restraints excluded: chain P residue 397 ASP Chi-restraints excluded: chain P residue 398 VAL Chi-restraints excluded: chain P residue 406 HIS Chi-restraints excluded: chain P residue 407 LYS Chi-restraints excluded: chain P residue 408 TYR Chi-restraints excluded: chain P residue 413 LYS Chi-restraints excluded: chain P residue 419 THR Chi-restraints excluded: chain P residue 421 SER Chi-restraints excluded: chain P residue 428 GLU Chi-restraints excluded: chain P residue 431 VAL Chi-restraints excluded: chain P residue 443 ILE Chi-restraints excluded: chain P residue 447 TYR Chi-restraints excluded: chain P residue 452 THR Chi-restraints excluded: chain P residue 456 ASP Chi-restraints excluded: chain P residue 457 ASP Chi-restraints excluded: chain P residue 476 LYS Chi-restraints excluded: chain P residue 478 ILE Chi-restraints excluded: chain P residue 480 HIS Chi-restraints excluded: chain P residue 484 MET Chi-restraints excluded: chain P residue 494 PHE Chi-restraints excluded: chain P residue 496 PHE Chi-restraints excluded: chain P residue 497 LEU Chi-restraints excluded: chain P residue 499 GLN Chi-restraints excluded: chain P residue 501 ILE Chi-restraints excluded: chain P residue 528 ILE Chi-restraints excluded: chain P residue 533 PRO Chi-restraints excluded: chain P residue 535 TYR Chi-restraints excluded: chain P residue 536 GLU Chi-restraints excluded: chain P residue 539 VAL Chi-restraints excluded: chain P residue 544 ASP Chi-restraints excluded: chain P residue 549 ILE Chi-restraints excluded: chain P residue 559 THR Chi-restraints excluded: chain P residue 564 ILE Chi-restraints excluded: chain P residue 570 ASP Chi-restraints excluded: chain P residue 573 ILE Chi-restraints excluded: chain P residue 576 GLU Chi-restraints excluded: chain Q residue 11 GLN Chi-restraints excluded: chain Q residue 12 TYR Chi-restraints excluded: chain Q residue 13 LYS Chi-restraints excluded: chain Q residue 14 ASP Chi-restraints excluded: chain Q residue 15 ILE Chi-restraints excluded: chain Q residue 19 PHE Chi-restraints excluded: chain Q residue 25 ASP Chi-restraints excluded: chain Q residue 26 ASN Chi-restraints excluded: chain Q residue 32 VAL Chi-restraints excluded: chain Q residue 33 GLN Chi-restraints excluded: chain Q residue 34 ASP Chi-restraints excluded: chain Q residue 35 MET Chi-restraints excluded: chain Q residue 38 SER Chi-restraints excluded: chain Q residue 39 ILE Chi-restraints excluded: chain Q residue 41 SER Chi-restraints excluded: chain Q residue 44 GLU Chi-restraints excluded: chain Q residue 50 MET Chi-restraints excluded: chain Q residue 51 SER Chi-restraints excluded: chain Q residue 56 SER Chi-restraints excluded: chain Q residue 58 THR Chi-restraints excluded: chain Q residue 65 LEU Chi-restraints excluded: chain Q residue 66 LEU Chi-restraints excluded: chain Q residue 70 GLU Chi-restraints excluded: chain Q residue 77 VAL Chi-restraints excluded: chain Q residue 79 GLU Chi-restraints excluded: chain Q residue 80 VAL Chi-restraints excluded: chain Q residue 81 LEU Chi-restraints excluded: chain Q residue 82 ARG Chi-restraints excluded: chain Q residue 83 ILE Chi-restraints excluded: chain Q residue 85 TYR Chi-restraints excluded: chain Q residue 92 ILE Chi-restraints excluded: chain Q residue 94 THR Chi-restraints excluded: chain Q residue 97 ARG Chi-restraints excluded: chain Q residue 100 SER Chi-restraints excluded: chain Q residue 103 THR Chi-restraints excluded: chain Q residue 107 ILE Chi-restraints excluded: chain Q residue 110 ARG Chi-restraints excluded: chain Q residue 122 LYS Chi-restraints excluded: chain Q residue 127 ARG Chi-restraints excluded: chain Q residue 131 TYR Chi-restraints excluded: chain Q residue 135 ARG Chi-restraints excluded: chain Q residue 139 LEU Chi-restraints excluded: chain Q residue 141 LEU Chi-restraints excluded: chain Q residue 150 ASP Chi-restraints excluded: chain Q residue 153 LEU Chi-restraints excluded: chain Q residue 157 LYS Chi-restraints excluded: chain Q residue 158 THR Chi-restraints excluded: chain Q residue 160 VAL Chi-restraints excluded: chain Q residue 166 LEU Chi-restraints excluded: chain Q residue 167 SER Chi-restraints excluded: chain Q residue 169 LYS Chi-restraints excluded: chain Q residue 181 LEU Chi-restraints excluded: chain Q residue 188 SER Chi-restraints excluded: chain Q residue 191 THR Chi-restraints excluded: chain Q residue 204 ASP Chi-restraints excluded: chain Q residue 208 THR Chi-restraints excluded: chain Q residue 217 ILE Chi-restraints excluded: chain Q residue 221 ILE Chi-restraints excluded: chain Q residue 225 GLN Chi-restraints excluded: chain Q residue 231 LEU Chi-restraints excluded: chain Q residue 234 SER Chi-restraints excluded: chain Q residue 239 ASN Chi-restraints excluded: chain Q residue 246 ASN Chi-restraints excluded: chain Q residue 249 ASN Chi-restraints excluded: chain Q residue 251 LYS Chi-restraints excluded: chain Q residue 258 LEU Chi-restraints excluded: chain Q residue 262 ILE Chi-restraints excluded: chain Q residue 266 THR Chi-restraints excluded: chain Q residue 273 ASP Chi-restraints excluded: chain Q residue 274 PHE Chi-restraints excluded: chain Q residue 279 THR Chi-restraints excluded: chain Q residue 280 THR Chi-restraints excluded: chain Q residue 281 THR Chi-restraints excluded: chain Q residue 284 SER Chi-restraints excluded: chain Q residue 285 LEU Chi-restraints excluded: chain Q residue 288 HIS Chi-restraints excluded: chain Q residue 291 THR Chi-restraints excluded: chain Q residue 292 LEU Chi-restraints excluded: chain Q residue 293 THR Chi-restraints excluded: chain Q residue 298 LYS Chi-restraints excluded: chain Q residue 305 LEU Chi-restraints excluded: chain Q residue 319 THR Chi-restraints excluded: chain Q residue 321 PRO Chi-restraints excluded: chain Q residue 323 ARG Chi-restraints excluded: chain Q residue 324 LEU Chi-restraints excluded: chain Q residue 325 SER Chi-restraints excluded: chain Q residue 327 ILE Chi-restraints excluded: chain Q residue 329 GLU Chi-restraints excluded: chain Q residue 333 ASP Chi-restraints excluded: chain Q residue 338 TRP Chi-restraints excluded: chain Q residue 339 ASP Chi-restraints excluded: chain Q residue 351 THR Chi-restraints excluded: chain Q residue 353 ILE Chi-restraints excluded: chain Q residue 359 VAL Chi-restraints excluded: chain Q residue 370 ASP Chi-restraints excluded: chain Q residue 371 ARG Chi-restraints excluded: chain Q residue 373 SER Chi-restraints excluded: chain Q residue 381 ILE Chi-restraints excluded: chain Q residue 383 THR Chi-restraints excluded: chain Q residue 384 ILE Chi-restraints excluded: chain Q residue 385 LEU Chi-restraints excluded: chain Q residue 387 SER Chi-restraints excluded: chain Q residue 389 ILE Chi-restraints excluded: chain Q residue 396 SER Chi-restraints excluded: chain Q residue 398 VAL Chi-restraints excluded: chain Q residue 400 VAL Chi-restraints excluded: chain Q residue 406 HIS Chi-restraints excluded: chain Q residue 407 LYS Chi-restraints excluded: chain Q residue 408 TYR Chi-restraints excluded: chain Q residue 411 VAL Chi-restraints excluded: chain Q residue 413 LYS Chi-restraints excluded: chain Q residue 414 GLN Chi-restraints excluded: chain Q residue 425 ILE Chi-restraints excluded: chain Q residue 431 VAL Chi-restraints excluded: chain Q residue 443 ILE Chi-restraints excluded: chain Q residue 447 TYR Chi-restraints excluded: chain Q residue 452 THR Chi-restraints excluded: chain Q residue 456 ASP Chi-restraints excluded: chain Q residue 459 ILE Chi-restraints excluded: chain Q residue 462 TYR Chi-restraints excluded: chain Q residue 463 LEU Chi-restraints excluded: chain Q residue 471 ILE Chi-restraints excluded: chain Q residue 480 HIS Chi-restraints excluded: chain Q residue 485 THR Chi-restraints excluded: chain Q residue 487 PHE Chi-restraints excluded: chain Q residue 489 MET Chi-restraints excluded: chain Q residue 494 PHE Chi-restraints excluded: chain Q residue 497 LEU Chi-restraints excluded: chain Q residue 499 GLN Chi-restraints excluded: chain Q residue 501 ILE Chi-restraints excluded: chain Q residue 516 ASN Chi-restraints excluded: chain Q residue 524 TYR Chi-restraints excluded: chain Q residue 528 ILE Chi-restraints excluded: chain Q residue 536 GLU Chi-restraints excluded: chain Q residue 539 VAL Chi-restraints excluded: chain Q residue 544 ASP Chi-restraints excluded: chain Q residue 559 THR Chi-restraints excluded: chain Q residue 564 ILE Chi-restraints excluded: chain Q residue 576 GLU Chi-restraints excluded: chain Q residue 580 GLN Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 0 random chunks: chunk None optimal weight: 7.9990 overall best weight: 50.0000 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 47 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 345 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 11 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 11 GLN ** D 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 47 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 380 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 47 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 345 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 47 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 380 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 47 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 206 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 414 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 446 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 26 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 257 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 340 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 414 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 473 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 474 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 480 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 580 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 1 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3815 r_free = 0.3815 target = 0.120368 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 68)----------------| | r_work = 0.3186 r_free = 0.3186 target = 0.086958 restraints weight = 350177.098| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 29)----------------| | r_work = 0.3186 r_free = 0.3186 target = 0.086832 restraints weight = 357051.618| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 26)----------------| | r_work = 0.3189 r_free = 0.3189 target = 0.086984 restraints weight = 294008.542| |-----------------------------------------------------------------------------| r_work (final): 0.3174 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8144 moved from start: 1.7809 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.040 0.339 113878 Z= 2.414 Angle : 2.869 36.334 154904 Z= 1.375 Chirality : 0.115 0.742 19294 Planarity : 0.017 0.147 20033 Dihedral : 16.632 174.410 18197 Min Nonbonded Distance : 1.887 Molprobity Statistics. All-atom Clashscore : 101.10 Ramachandran Plot: Outliers : 1.59 % Allowed : 40.42 % Favored : 57.99 % Rotamer: Outliers : 29.26 % Allowed : 29.26 % Favored : 41.48 % Cbeta Deviations : 0.39 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.28 % Twisted Proline : 7.00 % Twisted General : 5.14 % 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: -7.67 (0.05), residues: 8464 helix: -4.85 (0.03), residues: 4880 sheet: -5.23 (0.11), residues: 528 loop : -5.16 (0.09), residues: 3056 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.064 0.011 TRP O 207 HIS 0.029 0.009 HIS F 470 PHE 0.125 0.010 PHE A 87 TYR 0.072 0.009 TYR C 462 ARG 0.031 0.003 ARG J 82 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 75797.16 seconds wall clock time: 1295 minutes 42.95 seconds (77742.95 seconds total)