Starting phenix.real_space_refine (version: dev) on Tue May 17 23:51:23 2022 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6ssj_10295/05_2022/6ssj_10295.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6ssj_10295/05_2022/6ssj_10295.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=2.75 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6ssj_10295/05_2022/6ssj_10295.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6ssj_10295/05_2022/6ssj_10295.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6ssj_10295/05_2022/6ssj_10295.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6ssj_10295/05_2022/6ssj_10295.pdb" } resolution = 2.75 write_initial_geo_file = False refinement { macro_cycles = 10 } 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 ------------------------------------------------------------------------------- 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= -0.017 sd= 1.807 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 Convert atoms to be neutral Process input model Symmetric amino acids flipped Residue "A ARG 51": "NH1" <-> "NH2" Residue "A GLU 69": "OE1" <-> "OE2" Residue "A ARG 138": "NH1" <-> "NH2" Residue "B ARG 51": "NH1" <-> "NH2" Residue "B GLU 69": "OE1" <-> "OE2" Residue "B ARG 138": "NH1" <-> "NH2" Residue "C ARG 51": "NH1" <-> "NH2" Residue "C GLU 69": "OE1" <-> "OE2" Residue "C ARG 138": "NH1" <-> "NH2" Residue "D ARG 51": "NH1" <-> "NH2" Residue "D GLU 69": "OE1" <-> "OE2" Residue "D ARG 138": "NH1" <-> "NH2" Residue "E ARG 51": "NH1" <-> "NH2" Residue "E GLU 69": "OE1" <-> "OE2" Residue "E ARG 138": "NH1" <-> "NH2" Residue "F ARG 51": "NH1" <-> "NH2" Residue "F GLU 69": "OE1" <-> "OE2" Residue "F ARG 138": "NH1" <-> "NH2" Residue "G ARG 51": "NH1" <-> "NH2" Residue "G GLU 69": "OE1" <-> "OE2" Residue "G ARG 138": "NH1" <-> "NH2" Residue "H ARG 51": "NH1" <-> "NH2" Residue "H GLU 69": "OE1" <-> "OE2" Residue "H ARG 138": "NH1" <-> "NH2" Residue "I ARG 51": "NH1" <-> "NH2" Residue "I GLU 69": "OE1" <-> "OE2" Residue "I ARG 138": "NH1" <-> "NH2" Residue "J ARG 51": "NH1" <-> "NH2" Residue "J GLU 69": "OE1" <-> "OE2" Residue "J ARG 138": "NH1" <-> "NH2" Residue "K ARG 51": "NH1" <-> "NH2" Residue "K GLU 69": "OE1" <-> "OE2" Residue "K ARG 138": "NH1" <-> "NH2" Residue "L ARG 51": "NH1" <-> "NH2" Residue "L GLU 69": "OE1" <-> "OE2" Residue "L ARG 138": "NH1" <-> "NH2" Residue "M ARG 51": "NH1" <-> "NH2" Residue "M GLU 69": "OE1" <-> "OE2" Residue "M ARG 138": "NH1" <-> "NH2" Residue "N ARG 51": "NH1" <-> "NH2" Residue "N GLU 69": "OE1" <-> "OE2" Residue "N ARG 138": "NH1" <-> "NH2" Residue "O ARG 51": "NH1" <-> "NH2" Residue "O GLU 69": "OE1" <-> "OE2" Residue "O ARG 138": "NH1" <-> "NH2" Residue "P ARG 51": "NH1" <-> "NH2" Residue "P GLU 69": "OE1" <-> "OE2" Residue "P ARG 138": "NH1" <-> "NH2" Residue "Q ARG 51": "NH1" <-> "NH2" Residue "Q GLU 69": "OE1" <-> "OE2" Residue "Q ARG 138": "NH1" <-> "NH2" Residue "R ARG 51": "NH1" <-> "NH2" Residue "R GLU 69": "OE1" <-> "OE2" Residue "R ARG 138": "NH1" <-> "NH2" Residue "S ARG 51": "NH1" <-> "NH2" Residue "S GLU 69": "OE1" <-> "OE2" Residue "S ARG 138": "NH1" <-> "NH2" Residue "T ARG 51": "NH1" <-> "NH2" Residue "T GLU 69": "OE1" <-> "OE2" Residue "T ARG 138": "NH1" <-> "NH2" Residue "U ARG 51": "NH1" <-> "NH2" Residue "U GLU 69": "OE1" <-> "OE2" Residue "U ARG 138": "NH1" <-> "NH2" Residue "V ARG 51": "NH1" <-> "NH2" Residue "V GLU 69": "OE1" <-> "OE2" Residue "V ARG 138": "NH1" <-> "NH2" Residue "W ARG 51": "NH1" <-> "NH2" Residue "W GLU 69": "OE1" <-> "OE2" Residue "W ARG 138": "NH1" <-> "NH2" Residue "X ARG 51": "NH1" <-> "NH2" Residue "X GLU 69": "OE1" <-> "OE2" Residue "X ARG 138": "NH1" <-> "NH2" Residue "Y ARG 51": "NH1" <-> "NH2" Residue "Y GLU 69": "OE1" <-> "OE2" Residue "Y ARG 138": "NH1" <-> "NH2" Residue "Z ARG 51": "NH1" <-> "NH2" Residue "Z GLU 69": "OE1" <-> "OE2" Residue "Z ARG 138": "NH1" <-> "NH2" Residue "0 ARG 51": "NH1" <-> "NH2" Residue "0 GLU 69": "OE1" <-> "OE2" Residue "0 ARG 138": "NH1" <-> "NH2" Residue "1 ARG 51": "NH1" <-> "NH2" Residue "1 GLU 69": "OE1" <-> "OE2" Residue "1 ARG 138": "NH1" <-> "NH2" Residue "2 ARG 51": "NH1" <-> "NH2" Residue "2 GLU 69": "OE1" <-> "OE2" Residue "2 ARG 138": "NH1" <-> "NH2" Residue "3 ARG 51": "NH1" <-> "NH2" Residue "3 GLU 69": "OE1" <-> "OE2" Residue "3 ARG 138": "NH1" <-> "NH2" Residue "4 ARG 51": "NH1" <-> "NH2" Residue "4 GLU 69": "OE1" <-> "OE2" Residue "4 ARG 138": "NH1" <-> "NH2" Residue "5 ARG 51": "NH1" <-> "NH2" Residue "5 GLU 69": "OE1" <-> "OE2" Residue "5 ARG 138": "NH1" <-> "NH2" Residue "6 ARG 51": "NH1" <-> "NH2" Residue "6 GLU 69": "OE1" <-> "OE2" Residue "6 ARG 138": "NH1" <-> "NH2" Residue "7 ARG 51": "NH1" <-> "NH2" Residue "7 GLU 69": "OE1" <-> "OE2" Residue "7 ARG 138": "NH1" <-> "NH2" Residue "8 ARG 51": "NH1" <-> "NH2" Residue "8 GLU 69": "OE1" <-> "OE2" Residue "8 ARG 138": "NH1" <-> "NH2" Residue "9 ARG 51": "NH1" <-> "NH2" Residue "9 GLU 69": "OE1" <-> "OE2" Residue "9 ARG 138": "NH1" <-> "NH2" Residue "a ARG 51": "NH1" <-> "NH2" Residue "a GLU 69": "OE1" <-> "OE2" Residue "a ARG 138": "NH1" <-> "NH2" Residue "b ARG 51": "NH1" <-> "NH2" Residue "b GLU 69": "OE1" <-> "OE2" Residue "b ARG 138": "NH1" <-> "NH2" Residue "c ARG 51": "NH1" <-> "NH2" Residue "c GLU 69": "OE1" <-> "OE2" Residue "c ARG 138": "NH1" <-> "NH2" Residue "d ARG 51": "NH1" <-> "NH2" Residue "d GLU 69": "OE1" <-> "OE2" Residue "d ARG 138": "NH1" <-> "NH2" Residue "e ARG 51": "NH1" <-> "NH2" Residue "e GLU 69": "OE1" <-> "OE2" Residue "e ARG 138": "NH1" <-> "NH2" Residue "f ARG 51": "NH1" <-> "NH2" Residue "f GLU 69": "OE1" <-> "OE2" Residue "f ARG 138": "NH1" <-> "NH2" Residue "g ARG 51": "NH1" <-> "NH2" Residue "g GLU 69": "OE1" <-> "OE2" Residue "g ARG 138": "NH1" <-> "NH2" Residue "h ARG 51": "NH1" <-> "NH2" Residue "h GLU 69": "OE1" <-> "OE2" Residue "h ARG 138": "NH1" <-> "NH2" Residue "i ARG 51": "NH1" <-> "NH2" Residue "i GLU 69": "OE1" <-> "OE2" Residue "i ARG 138": "NH1" <-> "NH2" Residue "j ARG 51": "NH1" <-> "NH2" Residue "j GLU 69": "OE1" <-> "OE2" Residue "j ARG 138": "NH1" <-> "NH2" Residue "k ARG 51": "NH1" <-> "NH2" Residue "k GLU 69": "OE1" <-> "OE2" Residue "k ARG 138": "NH1" <-> "NH2" Residue "l ARG 51": "NH1" <-> "NH2" Residue "l GLU 69": "OE1" <-> "OE2" Residue "l ARG 138": "NH1" <-> "NH2" Residue "m ARG 51": "NH1" <-> "NH2" Residue "m GLU 69": "OE1" <-> "OE2" Residue "m ARG 138": "NH1" <-> "NH2" Residue "n ARG 51": "NH1" <-> "NH2" Residue "n GLU 69": "OE1" <-> "OE2" Residue "n ARG 138": "NH1" <-> "NH2" Residue "o ARG 51": "NH1" <-> "NH2" Residue "o GLU 69": "OE1" <-> "OE2" Residue "o ARG 138": "NH1" <-> "NH2" Residue "p ARG 51": "NH1" <-> "NH2" Residue "p GLU 69": "OE1" <-> "OE2" Residue "p ARG 138": "NH1" <-> "NH2" Residue "q ARG 51": "NH1" <-> "NH2" Residue "q GLU 69": "OE1" <-> "OE2" Residue "q ARG 138": "NH1" <-> "NH2" Residue "r ARG 51": "NH1" <-> "NH2" Residue "r GLU 69": "OE1" <-> "OE2" Residue "r ARG 138": "NH1" <-> "NH2" Residue "s ARG 51": "NH1" <-> "NH2" Residue "s GLU 69": "OE1" <-> "OE2" Residue "s ARG 138": "NH1" <-> "NH2" Residue "t ARG 51": "NH1" <-> "NH2" Residue "t GLU 69": "OE1" <-> "OE2" Residue "t ARG 138": "NH1" <-> "NH2" Residue "u ARG 51": "NH1" <-> "NH2" Residue "u GLU 69": "OE1" <-> "OE2" Residue "u ARG 138": "NH1" <-> "NH2" Residue "v ARG 51": "NH1" <-> "NH2" Residue "v GLU 69": "OE1" <-> "OE2" Residue "v ARG 138": "NH1" <-> "NH2" Residue "w ARG 51": "NH1" <-> "NH2" Residue "w GLU 69": "OE1" <-> "OE2" Residue "w ARG 138": "NH1" <-> "NH2" Residue "x ARG 51": "NH1" <-> "NH2" Residue "x GLU 69": "OE1" <-> "OE2" Residue "x ARG 138": "NH1" <-> "NH2" Time to flip residues: 0.21s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4597/modules/chem_data/mon_lib" Total number of atoms: 104100 Number of models: 1 Model: "" Number of chains: 60 Chain: "A" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "B" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "C" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "D" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "E" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "F" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "G" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "H" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "I" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "J" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "K" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "L" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "M" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "N" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "O" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "P" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "Q" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "R" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "S" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "T" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "U" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "V" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "W" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "X" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "Y" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "Z" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "0" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "1" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "2" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "3" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "4" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "5" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "6" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "7" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "8" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "9" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "a" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "b" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "c" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "d" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "e" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "f" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "g" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "h" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "i" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "j" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "k" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "l" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "m" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "n" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "o" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "p" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "q" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "r" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "s" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "t" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "u" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "v" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "w" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "x" Number of atoms: 1735 Number of conformers: 1 Conformer: "" Number of residues, atoms: 222, 1735 Classifications: {'peptide': 222} Incomplete info: {'truncation_to_alanine': 3} Link IDs: {'PTRANS': 13, 'TRANS': 207, 'PCIS': 1} Chain breaks: 1 Unresolved chain link angles: 1 Unresolved non-hydrogen bonds: 9 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 7 Unresolved non-hydrogen chiralities: 1 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Time building chain proxies: 43.23, per 1000 atoms: 0.42 Number of scatterers: 104100 At special positions: 0 Unit cell: (228.9, 227.81, 227.81, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 4 Type Number sf(0) S 540 16.00 O 19560 8.00 N 18300 7.00 C 65700 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=0, symmetry=0 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 30.36 Conformation dependent library (CDL) restraints added in 11.7 seconds 26160 Ramachandran restraints generated. 13080 Oldfield, 0 Emsley, 13080 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 25080 Finding SS restraints... Secondary structure from input PDB file: 780 helices and 60 sheets defined 69.8% alpha, 1.8% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 3.69 Creating SS restraints... Processing helix chain 'A' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS A 37 " --> pdb=" O LEU A 33 " (cutoff:3.500A) Processing helix chain 'A' and resid 47 through 60 Processing helix chain 'A' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU A 69 " --> pdb=" O PRO A 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE A 70 " --> pdb=" O TYR A 66 " (cutoff:3.500A) Processing helix chain 'A' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU A 82 " --> pdb=" O PRO A 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN A 83 " --> pdb=" O SER A 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU A 94 " --> pdb=" O ASP A 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN A 95 " --> pdb=" O GLY A 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG A 97 " --> pdb=" O GLN A 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG A 98 " --> pdb=" O GLU A 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA A 101 " --> pdb=" O ARG A 97 " (cutoff:3.500A) Processing helix chain 'A' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU A 113 " --> pdb=" O ASP A 109 " (cutoff:3.500A) Processing helix chain 'A' and resid 122 through 127 Processing helix chain 'A' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN A 136 " --> pdb=" O GLU A 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA A 139 " --> pdb=" O GLU A 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE A 140 " --> pdb=" O GLN A 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG A 143 " --> pdb=" O ALA A 139 " (cutoff:3.500A) Processing helix chain 'A' and resid 146 through 148 No H-bonds generated for 'chain 'A' and resid 146 through 148' Processing helix chain 'A' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE A 172 " --> pdb=" O PRO A 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG A 175 " --> pdb=" O ASP A 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN A 177 " --> pdb=" O VAL A 173 " (cutoff:3.500A) Processing helix chain 'A' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL A 192 " --> pdb=" O LYS A 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE A 193 " --> pdb=" O ALA A 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU A 195 " --> pdb=" O LYS A 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU A 196 " --> pdb=" O VAL A 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR A 199 " --> pdb=" O GLU A 195 " (cutoff:3.500A) Processing helix chain 'A' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA A 209 " --> pdb=" O GLU A 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS A 211 " --> pdb=" O GLN A 207 " (cutoff:3.500A) Processing helix chain 'A' and resid 212 through 214 No H-bonds generated for 'chain 'A' and resid 212 through 214' Processing helix chain 'A' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU A 226 " --> pdb=" O ASP A 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR A 227 " --> pdb=" O VAL A 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA A 230 " --> pdb=" O GLU A 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS A 231 " --> pdb=" O TYR A 227 " (cutoff:3.500A) Processing helix chain 'B' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS B 37 " --> pdb=" O LEU B 33 " (cutoff:3.500A) Processing helix chain 'B' and resid 47 through 60 Processing helix chain 'B' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU B 69 " --> pdb=" O PRO B 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE B 70 " --> pdb=" O TYR B 66 " (cutoff:3.500A) Processing helix chain 'B' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU B 82 " --> pdb=" O PRO B 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN B 83 " --> pdb=" O SER B 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU B 94 " --> pdb=" O ASP B 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN B 95 " --> pdb=" O GLY B 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG B 97 " --> pdb=" O GLN B 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG B 98 " --> pdb=" O GLU B 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA B 101 " --> pdb=" O ARG B 97 " (cutoff:3.500A) Processing helix chain 'B' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU B 113 " --> pdb=" O ASP B 109 " (cutoff:3.500A) Processing helix chain 'B' and resid 122 through 127 Processing helix chain 'B' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN B 136 " --> pdb=" O GLU B 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA B 139 " --> pdb=" O GLU B 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE B 140 " --> pdb=" O GLN B 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG B 143 " --> pdb=" O ALA B 139 " (cutoff:3.500A) Processing helix chain 'B' and resid 146 through 148 No H-bonds generated for 'chain 'B' and resid 146 through 148' Processing helix chain 'B' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE B 172 " --> pdb=" O PRO B 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG B 175 " --> pdb=" O ASP B 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN B 177 " --> pdb=" O VAL B 173 " (cutoff:3.500A) Processing helix chain 'B' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL B 192 " --> pdb=" O LYS B 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE B 193 " --> pdb=" O ALA B 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU B 195 " --> pdb=" O LYS B 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU B 196 " --> pdb=" O VAL B 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR B 199 " --> pdb=" O GLU B 195 " (cutoff:3.500A) Processing helix chain 'B' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA B 209 " --> pdb=" O GLU B 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS B 211 " --> pdb=" O GLN B 207 " (cutoff:3.500A) Processing helix chain 'B' and resid 212 through 214 No H-bonds generated for 'chain 'B' and resid 212 through 214' Processing helix chain 'B' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU B 226 " --> pdb=" O ASP B 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR B 227 " --> pdb=" O VAL B 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA B 230 " --> pdb=" O GLU B 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS B 231 " --> pdb=" O TYR B 227 " (cutoff:3.500A) Processing helix chain 'C' and resid 29 through 43 removed outlier: 3.536A pdb=" N LYS C 37 " --> pdb=" O LEU C 33 " (cutoff:3.500A) Processing helix chain 'C' and resid 47 through 60 Processing helix chain 'C' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU C 69 " --> pdb=" O PRO C 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE C 70 " --> pdb=" O TYR C 66 " (cutoff:3.500A) Processing helix chain 'C' and resid 77 through 101 removed outlier: 3.517A pdb=" N LEU C 82 " --> pdb=" O PRO C 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN C 83 " --> pdb=" O SER C 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU C 94 " --> pdb=" O ASP C 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN C 95 " --> pdb=" O GLY C 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG C 97 " --> pdb=" O GLN C 93 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ARG C 98 " --> pdb=" O GLU C 94 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ALA C 101 " --> pdb=" O ARG C 97 " (cutoff:3.500A) Processing helix chain 'C' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU C 113 " --> pdb=" O ASP C 109 " (cutoff:3.500A) Processing helix chain 'C' and resid 122 through 127 Processing helix chain 'C' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN C 136 " --> pdb=" O GLU C 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA C 139 " --> pdb=" O GLU C 135 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE C 140 " --> pdb=" O GLN C 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG C 143 " --> pdb=" O ALA C 139 " (cutoff:3.500A) Processing helix chain 'C' and resid 146 through 148 No H-bonds generated for 'chain 'C' and resid 146 through 148' Processing helix chain 'C' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE C 172 " --> pdb=" O PRO C 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG C 175 " --> pdb=" O ASP C 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN C 177 " --> pdb=" O VAL C 173 " (cutoff:3.500A) Processing helix chain 'C' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL C 192 " --> pdb=" O LYS C 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE C 193 " --> pdb=" O ALA C 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU C 195 " --> pdb=" O LYS C 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU C 196 " --> pdb=" O VAL C 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR C 199 " --> pdb=" O GLU C 195 " (cutoff:3.500A) Processing helix chain 'C' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA C 209 " --> pdb=" O GLU C 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS C 211 " --> pdb=" O GLN C 207 " (cutoff:3.500A) Processing helix chain 'C' and resid 212 through 214 No H-bonds generated for 'chain 'C' and resid 212 through 214' Processing helix chain 'C' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU C 226 " --> pdb=" O ASP C 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR C 227 " --> pdb=" O VAL C 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA C 230 " --> pdb=" O GLU C 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS C 231 " --> pdb=" O TYR C 227 " (cutoff:3.500A) Processing helix chain 'D' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS D 37 " --> pdb=" O LEU D 33 " (cutoff:3.500A) Processing helix chain 'D' and resid 47 through 60 Processing helix chain 'D' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU D 69 " --> pdb=" O PRO D 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE D 70 " --> pdb=" O TYR D 66 " (cutoff:3.500A) Processing helix chain 'D' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU D 82 " --> pdb=" O PRO D 78 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N GLN D 83 " --> pdb=" O SER D 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU D 94 " --> pdb=" O ASP D 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN D 95 " --> pdb=" O GLY D 91 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ARG D 97 " --> pdb=" O GLN D 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG D 98 " --> pdb=" O GLU D 94 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ALA D 101 " --> pdb=" O ARG D 97 " (cutoff:3.500A) Processing helix chain 'D' and resid 109 through 115 removed outlier: 3.634A pdb=" N LEU D 113 " --> pdb=" O ASP D 109 " (cutoff:3.500A) Processing helix chain 'D' and resid 122 through 127 Processing helix chain 'D' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN D 136 " --> pdb=" O GLU D 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA D 139 " --> pdb=" O GLU D 135 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE D 140 " --> pdb=" O GLN D 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG D 143 " --> pdb=" O ALA D 139 " (cutoff:3.500A) Processing helix chain 'D' and resid 146 through 148 No H-bonds generated for 'chain 'D' and resid 146 through 148' Processing helix chain 'D' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE D 172 " --> pdb=" O PRO D 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG D 175 " --> pdb=" O ASP D 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN D 177 " --> pdb=" O VAL D 173 " (cutoff:3.500A) Processing helix chain 'D' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL D 192 " --> pdb=" O LYS D 188 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE D 193 " --> pdb=" O ALA D 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU D 195 " --> pdb=" O LYS D 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU D 196 " --> pdb=" O VAL D 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR D 199 " --> pdb=" O GLU D 195 " (cutoff:3.500A) Processing helix chain 'D' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA D 209 " --> pdb=" O GLU D 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS D 211 " --> pdb=" O GLN D 207 " (cutoff:3.500A) Processing helix chain 'D' and resid 212 through 214 No H-bonds generated for 'chain 'D' and resid 212 through 214' Processing helix chain 'D' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU D 226 " --> pdb=" O ASP D 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR D 227 " --> pdb=" O VAL D 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA D 230 " --> pdb=" O GLU D 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS D 231 " --> pdb=" O TYR D 227 " (cutoff:3.500A) Processing helix chain 'E' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS E 37 " --> pdb=" O LEU E 33 " (cutoff:3.500A) Processing helix chain 'E' and resid 47 through 60 Processing helix chain 'E' and resid 64 through 76 removed outlier: 3.725A pdb=" N GLU E 69 " --> pdb=" O PRO E 65 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE E 70 " --> pdb=" O TYR E 66 " (cutoff:3.500A) Processing helix chain 'E' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU E 82 " --> pdb=" O PRO E 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN E 83 " --> pdb=" O SER E 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU E 94 " --> pdb=" O ASP E 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN E 95 " --> pdb=" O GLY E 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG E 97 " --> pdb=" O GLN E 93 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ARG E 98 " --> pdb=" O GLU E 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA E 101 " --> pdb=" O ARG E 97 " (cutoff:3.500A) Processing helix chain 'E' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU E 113 " --> pdb=" O ASP E 109 " (cutoff:3.500A) Processing helix chain 'E' and resid 122 through 127 Processing helix chain 'E' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN E 136 " --> pdb=" O GLU E 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA E 139 " --> pdb=" O GLU E 135 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE E 140 " --> pdb=" O GLN E 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG E 143 " --> pdb=" O ALA E 139 " (cutoff:3.500A) Processing helix chain 'E' and resid 146 through 148 No H-bonds generated for 'chain 'E' and resid 146 through 148' Processing helix chain 'E' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE E 172 " --> pdb=" O PRO E 168 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ARG E 175 " --> pdb=" O ASP E 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN E 177 " --> pdb=" O VAL E 173 " (cutoff:3.500A) Processing helix chain 'E' and resid 186 through 201 removed outlier: 3.798A pdb=" N VAL E 192 " --> pdb=" O LYS E 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE E 193 " --> pdb=" O ALA E 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU E 195 " --> pdb=" O LYS E 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU E 196 " --> pdb=" O VAL E 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR E 199 " --> pdb=" O GLU E 195 " (cutoff:3.500A) Processing helix chain 'E' and resid 203 through 211 removed outlier: 3.813A pdb=" N ALA E 209 " --> pdb=" O GLU E 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS E 211 " --> pdb=" O GLN E 207 " (cutoff:3.500A) Processing helix chain 'E' and resid 212 through 214 No H-bonds generated for 'chain 'E' and resid 212 through 214' Processing helix chain 'E' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU E 226 " --> pdb=" O ASP E 222 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N TYR E 227 " --> pdb=" O VAL E 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA E 230 " --> pdb=" O GLU E 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS E 231 " --> pdb=" O TYR E 227 " (cutoff:3.500A) Processing helix chain 'F' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS F 37 " --> pdb=" O LEU F 33 " (cutoff:3.500A) Processing helix chain 'F' and resid 47 through 60 Processing helix chain 'F' and resid 64 through 76 removed outlier: 3.725A pdb=" N GLU F 69 " --> pdb=" O PRO F 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE F 70 " --> pdb=" O TYR F 66 " (cutoff:3.500A) Processing helix chain 'F' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU F 82 " --> pdb=" O PRO F 78 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N GLN F 83 " --> pdb=" O SER F 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU F 94 " --> pdb=" O ASP F 90 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN F 95 " --> pdb=" O GLY F 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG F 97 " --> pdb=" O GLN F 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG F 98 " --> pdb=" O GLU F 94 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ALA F 101 " --> pdb=" O ARG F 97 " (cutoff:3.500A) Processing helix chain 'F' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU F 113 " --> pdb=" O ASP F 109 " (cutoff:3.500A) Processing helix chain 'F' and resid 122 through 127 Processing helix chain 'F' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN F 136 " --> pdb=" O GLU F 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA F 139 " --> pdb=" O GLU F 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE F 140 " --> pdb=" O GLN F 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG F 143 " --> pdb=" O ALA F 139 " (cutoff:3.500A) Processing helix chain 'F' and resid 146 through 148 No H-bonds generated for 'chain 'F' and resid 146 through 148' Processing helix chain 'F' and resid 168 through 184 removed outlier: 3.601A pdb=" N PHE F 172 " --> pdb=" O PRO F 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG F 175 " --> pdb=" O ASP F 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN F 177 " --> pdb=" O VAL F 173 " (cutoff:3.500A) Processing helix chain 'F' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL F 192 " --> pdb=" O LYS F 188 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N ILE F 193 " --> pdb=" O ALA F 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU F 195 " --> pdb=" O LYS F 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU F 196 " --> pdb=" O VAL F 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR F 199 " --> pdb=" O GLU F 195 " (cutoff:3.500A) Processing helix chain 'F' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA F 209 " --> pdb=" O GLU F 205 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N LYS F 211 " --> pdb=" O GLN F 207 " (cutoff:3.500A) Processing helix chain 'F' and resid 212 through 214 No H-bonds generated for 'chain 'F' and resid 212 through 214' Processing helix chain 'F' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU F 226 " --> pdb=" O ASP F 222 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N TYR F 227 " --> pdb=" O VAL F 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA F 230 " --> pdb=" O GLU F 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS F 231 " --> pdb=" O TYR F 227 " (cutoff:3.500A) Processing helix chain 'G' and resid 29 through 43 removed outlier: 3.536A pdb=" N LYS G 37 " --> pdb=" O LEU G 33 " (cutoff:3.500A) Processing helix chain 'G' and resid 47 through 60 Processing helix chain 'G' and resid 64 through 76 removed outlier: 3.725A pdb=" N GLU G 69 " --> pdb=" O PRO G 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE G 70 " --> pdb=" O TYR G 66 " (cutoff:3.500A) Processing helix chain 'G' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU G 82 " --> pdb=" O PRO G 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN G 83 " --> pdb=" O SER G 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU G 94 " --> pdb=" O ASP G 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN G 95 " --> pdb=" O GLY G 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG G 97 " --> pdb=" O GLN G 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG G 98 " --> pdb=" O GLU G 94 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ALA G 101 " --> pdb=" O ARG G 97 " (cutoff:3.500A) Processing helix chain 'G' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU G 113 " --> pdb=" O ASP G 109 " (cutoff:3.500A) Processing helix chain 'G' and resid 122 through 127 Processing helix chain 'G' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN G 136 " --> pdb=" O GLU G 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA G 139 " --> pdb=" O GLU G 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE G 140 " --> pdb=" O GLN G 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG G 143 " --> pdb=" O ALA G 139 " (cutoff:3.500A) Processing helix chain 'G' and resid 146 through 148 No H-bonds generated for 'chain 'G' and resid 146 through 148' Processing helix chain 'G' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE G 172 " --> pdb=" O PRO G 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG G 175 " --> pdb=" O ASP G 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN G 177 " --> pdb=" O VAL G 173 " (cutoff:3.500A) Processing helix chain 'G' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL G 192 " --> pdb=" O LYS G 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE G 193 " --> pdb=" O ALA G 189 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N GLU G 195 " --> pdb=" O LYS G 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU G 196 " --> pdb=" O VAL G 192 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N TYR G 199 " --> pdb=" O GLU G 195 " (cutoff:3.500A) Processing helix chain 'G' and resid 203 through 211 removed outlier: 3.813A pdb=" N ALA G 209 " --> pdb=" O GLU G 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS G 211 " --> pdb=" O GLN G 207 " (cutoff:3.500A) Processing helix chain 'G' and resid 212 through 214 No H-bonds generated for 'chain 'G' and resid 212 through 214' Processing helix chain 'G' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU G 226 " --> pdb=" O ASP G 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR G 227 " --> pdb=" O VAL G 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA G 230 " --> pdb=" O GLU G 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS G 231 " --> pdb=" O TYR G 227 " (cutoff:3.500A) Processing helix chain 'H' and resid 29 through 43 removed outlier: 3.534A pdb=" N LYS H 37 " --> pdb=" O LEU H 33 " (cutoff:3.500A) Processing helix chain 'H' and resid 47 through 60 Processing helix chain 'H' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU H 69 " --> pdb=" O PRO H 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE H 70 " --> pdb=" O TYR H 66 " (cutoff:3.500A) Processing helix chain 'H' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU H 82 " --> pdb=" O PRO H 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN H 83 " --> pdb=" O SER H 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU H 94 " --> pdb=" O ASP H 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN H 95 " --> pdb=" O GLY H 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG H 97 " --> pdb=" O GLN H 93 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ARG H 98 " --> pdb=" O GLU H 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA H 101 " --> pdb=" O ARG H 97 " (cutoff:3.500A) Processing helix chain 'H' and resid 109 through 115 removed outlier: 3.634A pdb=" N LEU H 113 " --> pdb=" O ASP H 109 " (cutoff:3.500A) Processing helix chain 'H' and resid 122 through 127 Processing helix chain 'H' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN H 136 " --> pdb=" O GLU H 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA H 139 " --> pdb=" O GLU H 135 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE H 140 " --> pdb=" O GLN H 136 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ARG H 143 " --> pdb=" O ALA H 139 " (cutoff:3.500A) Processing helix chain 'H' and resid 146 through 148 No H-bonds generated for 'chain 'H' and resid 146 through 148' Processing helix chain 'H' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE H 172 " --> pdb=" O PRO H 168 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ARG H 175 " --> pdb=" O ASP H 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN H 177 " --> pdb=" O VAL H 173 " (cutoff:3.500A) Processing helix chain 'H' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL H 192 " --> pdb=" O LYS H 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE H 193 " --> pdb=" O ALA H 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU H 195 " --> pdb=" O LYS H 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU H 196 " --> pdb=" O VAL H 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR H 199 " --> pdb=" O GLU H 195 " (cutoff:3.500A) Processing helix chain 'H' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA H 209 " --> pdb=" O GLU H 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS H 211 " --> pdb=" O GLN H 207 " (cutoff:3.500A) Processing helix chain 'H' and resid 212 through 214 No H-bonds generated for 'chain 'H' and resid 212 through 214' Processing helix chain 'H' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU H 226 " --> pdb=" O ASP H 222 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N TYR H 227 " --> pdb=" O VAL H 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA H 230 " --> pdb=" O GLU H 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS H 231 " --> pdb=" O TYR H 227 " (cutoff:3.500A) Processing helix chain 'I' and resid 29 through 43 removed outlier: 3.536A pdb=" N LYS I 37 " --> pdb=" O LEU I 33 " (cutoff:3.500A) Processing helix chain 'I' and resid 47 through 60 Processing helix chain 'I' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU I 69 " --> pdb=" O PRO I 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE I 70 " --> pdb=" O TYR I 66 " (cutoff:3.500A) Processing helix chain 'I' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU I 82 " --> pdb=" O PRO I 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN I 83 " --> pdb=" O SER I 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU I 94 " --> pdb=" O ASP I 90 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN I 95 " --> pdb=" O GLY I 91 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ARG I 97 " --> pdb=" O GLN I 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG I 98 " --> pdb=" O GLU I 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA I 101 " --> pdb=" O ARG I 97 " (cutoff:3.500A) Processing helix chain 'I' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU I 113 " --> pdb=" O ASP I 109 " (cutoff:3.500A) Processing helix chain 'I' and resid 122 through 127 Processing helix chain 'I' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN I 136 " --> pdb=" O GLU I 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA I 139 " --> pdb=" O GLU I 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE I 140 " --> pdb=" O GLN I 136 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ARG I 143 " --> pdb=" O ALA I 139 " (cutoff:3.500A) Processing helix chain 'I' and resid 146 through 148 No H-bonds generated for 'chain 'I' and resid 146 through 148' Processing helix chain 'I' and resid 168 through 184 removed outlier: 3.601A pdb=" N PHE I 172 " --> pdb=" O PRO I 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG I 175 " --> pdb=" O ASP I 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN I 177 " --> pdb=" O VAL I 173 " (cutoff:3.500A) Processing helix chain 'I' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL I 192 " --> pdb=" O LYS I 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE I 193 " --> pdb=" O ALA I 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU I 195 " --> pdb=" O LYS I 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU I 196 " --> pdb=" O VAL I 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR I 199 " --> pdb=" O GLU I 195 " (cutoff:3.500A) Processing helix chain 'I' and resid 203 through 211 removed outlier: 3.813A pdb=" N ALA I 209 " --> pdb=" O GLU I 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS I 211 " --> pdb=" O GLN I 207 " (cutoff:3.500A) Processing helix chain 'I' and resid 212 through 214 No H-bonds generated for 'chain 'I' and resid 212 through 214' Processing helix chain 'I' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU I 226 " --> pdb=" O ASP I 222 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N TYR I 227 " --> pdb=" O VAL I 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA I 230 " --> pdb=" O GLU I 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS I 231 " --> pdb=" O TYR I 227 " (cutoff:3.500A) Processing helix chain 'J' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS J 37 " --> pdb=" O LEU J 33 " (cutoff:3.500A) Processing helix chain 'J' and resid 47 through 60 Processing helix chain 'J' and resid 64 through 76 removed outlier: 3.724A pdb=" N GLU J 69 " --> pdb=" O PRO J 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE J 70 " --> pdb=" O TYR J 66 " (cutoff:3.500A) Processing helix chain 'J' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU J 82 " --> pdb=" O PRO J 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN J 83 " --> pdb=" O SER J 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU J 94 " --> pdb=" O ASP J 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN J 95 " --> pdb=" O GLY J 91 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N ARG J 97 " --> pdb=" O GLN J 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG J 98 " --> pdb=" O GLU J 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA J 101 " --> pdb=" O ARG J 97 " (cutoff:3.500A) Processing helix chain 'J' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU J 113 " --> pdb=" O ASP J 109 " (cutoff:3.500A) Processing helix chain 'J' and resid 122 through 127 Processing helix chain 'J' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN J 136 " --> pdb=" O GLU J 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA J 139 " --> pdb=" O GLU J 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE J 140 " --> pdb=" O GLN J 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG J 143 " --> pdb=" O ALA J 139 " (cutoff:3.500A) Processing helix chain 'J' and resid 146 through 148 No H-bonds generated for 'chain 'J' and resid 146 through 148' Processing helix chain 'J' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE J 172 " --> pdb=" O PRO J 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG J 175 " --> pdb=" O ASP J 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN J 177 " --> pdb=" O VAL J 173 " (cutoff:3.500A) Processing helix chain 'J' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL J 192 " --> pdb=" O LYS J 188 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE J 193 " --> pdb=" O ALA J 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU J 195 " --> pdb=" O LYS J 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU J 196 " --> pdb=" O VAL J 192 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N TYR J 199 " --> pdb=" O GLU J 195 " (cutoff:3.500A) Processing helix chain 'J' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA J 209 " --> pdb=" O GLU J 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS J 211 " --> pdb=" O GLN J 207 " (cutoff:3.500A) Processing helix chain 'J' and resid 212 through 214 No H-bonds generated for 'chain 'J' and resid 212 through 214' Processing helix chain 'J' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU J 226 " --> pdb=" O ASP J 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR J 227 " --> pdb=" O VAL J 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA J 230 " --> pdb=" O GLU J 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS J 231 " --> pdb=" O TYR J 227 " (cutoff:3.500A) Processing helix chain 'K' and resid 29 through 43 removed outlier: 3.534A pdb=" N LYS K 37 " --> pdb=" O LEU K 33 " (cutoff:3.500A) Processing helix chain 'K' and resid 47 through 60 Processing helix chain 'K' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU K 69 " --> pdb=" O PRO K 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE K 70 " --> pdb=" O TYR K 66 " (cutoff:3.500A) Processing helix chain 'K' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU K 82 " --> pdb=" O PRO K 78 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N GLN K 83 " --> pdb=" O SER K 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU K 94 " --> pdb=" O ASP K 90 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN K 95 " --> pdb=" O GLY K 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG K 97 " --> pdb=" O GLN K 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG K 98 " --> pdb=" O GLU K 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA K 101 " --> pdb=" O ARG K 97 " (cutoff:3.500A) Processing helix chain 'K' and resid 109 through 115 removed outlier: 3.634A pdb=" N LEU K 113 " --> pdb=" O ASP K 109 " (cutoff:3.500A) Processing helix chain 'K' and resid 122 through 127 Processing helix chain 'K' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN K 136 " --> pdb=" O GLU K 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA K 139 " --> pdb=" O GLU K 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE K 140 " --> pdb=" O GLN K 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG K 143 " --> pdb=" O ALA K 139 " (cutoff:3.500A) Processing helix chain 'K' and resid 146 through 148 No H-bonds generated for 'chain 'K' and resid 146 through 148' Processing helix chain 'K' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE K 172 " --> pdb=" O PRO K 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG K 175 " --> pdb=" O ASP K 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN K 177 " --> pdb=" O VAL K 173 " (cutoff:3.500A) Processing helix chain 'K' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL K 192 " --> pdb=" O LYS K 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE K 193 " --> pdb=" O ALA K 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU K 195 " --> pdb=" O LYS K 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU K 196 " --> pdb=" O VAL K 192 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N TYR K 199 " --> pdb=" O GLU K 195 " (cutoff:3.500A) Processing helix chain 'K' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA K 209 " --> pdb=" O GLU K 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS K 211 " --> pdb=" O GLN K 207 " (cutoff:3.500A) Processing helix chain 'K' and resid 212 through 214 No H-bonds generated for 'chain 'K' and resid 212 through 214' Processing helix chain 'K' and resid 222 through 232 removed outlier: 3.844A pdb=" N GLU K 226 " --> pdb=" O ASP K 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR K 227 " --> pdb=" O VAL K 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA K 230 " --> pdb=" O GLU K 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS K 231 " --> pdb=" O TYR K 227 " (cutoff:3.500A) Processing helix chain 'L' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS L 37 " --> pdb=" O LEU L 33 " (cutoff:3.500A) Processing helix chain 'L' and resid 47 through 60 Processing helix chain 'L' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU L 69 " --> pdb=" O PRO L 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE L 70 " --> pdb=" O TYR L 66 " (cutoff:3.500A) Processing helix chain 'L' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU L 82 " --> pdb=" O PRO L 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN L 83 " --> pdb=" O SER L 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU L 94 " --> pdb=" O ASP L 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN L 95 " --> pdb=" O GLY L 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG L 97 " --> pdb=" O GLN L 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG L 98 " --> pdb=" O GLU L 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA L 101 " --> pdb=" O ARG L 97 " (cutoff:3.500A) Processing helix chain 'L' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU L 113 " --> pdb=" O ASP L 109 " (cutoff:3.500A) Processing helix chain 'L' and resid 122 through 127 Processing helix chain 'L' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN L 136 " --> pdb=" O GLU L 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA L 139 " --> pdb=" O GLU L 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE L 140 " --> pdb=" O GLN L 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG L 143 " --> pdb=" O ALA L 139 " (cutoff:3.500A) Processing helix chain 'L' and resid 146 through 148 No H-bonds generated for 'chain 'L' and resid 146 through 148' Processing helix chain 'L' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE L 172 " --> pdb=" O PRO L 168 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ARG L 175 " --> pdb=" O ASP L 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN L 177 " --> pdb=" O VAL L 173 " (cutoff:3.500A) Processing helix chain 'L' and resid 186 through 201 removed outlier: 3.796A pdb=" N VAL L 192 " --> pdb=" O LYS L 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE L 193 " --> pdb=" O ALA L 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU L 195 " --> pdb=" O LYS L 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU L 196 " --> pdb=" O VAL L 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR L 199 " --> pdb=" O GLU L 195 " (cutoff:3.500A) Processing helix chain 'L' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA L 209 " --> pdb=" O GLU L 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS L 211 " --> pdb=" O GLN L 207 " (cutoff:3.500A) Processing helix chain 'L' and resid 212 through 214 No H-bonds generated for 'chain 'L' and resid 212 through 214' Processing helix chain 'L' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU L 226 " --> pdb=" O ASP L 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR L 227 " --> pdb=" O VAL L 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA L 230 " --> pdb=" O GLU L 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS L 231 " --> pdb=" O TYR L 227 " (cutoff:3.500A) Processing helix chain 'M' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS M 37 " --> pdb=" O LEU M 33 " (cutoff:3.500A) Processing helix chain 'M' and resid 47 through 60 Processing helix chain 'M' and resid 64 through 76 removed outlier: 3.725A pdb=" N GLU M 69 " --> pdb=" O PRO M 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE M 70 " --> pdb=" O TYR M 66 " (cutoff:3.500A) Processing helix chain 'M' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU M 82 " --> pdb=" O PRO M 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN M 83 " --> pdb=" O SER M 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU M 94 " --> pdb=" O ASP M 90 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN M 95 " --> pdb=" O GLY M 91 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ARG M 97 " --> pdb=" O GLN M 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG M 98 " --> pdb=" O GLU M 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA M 101 " --> pdb=" O ARG M 97 " (cutoff:3.500A) Processing helix chain 'M' and resid 109 through 115 removed outlier: 3.634A pdb=" N LEU M 113 " --> pdb=" O ASP M 109 " (cutoff:3.500A) Processing helix chain 'M' and resid 122 through 127 Processing helix chain 'M' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN M 136 " --> pdb=" O GLU M 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA M 139 " --> pdb=" O GLU M 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE M 140 " --> pdb=" O GLN M 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG M 143 " --> pdb=" O ALA M 139 " (cutoff:3.500A) Processing helix chain 'M' and resid 146 through 148 No H-bonds generated for 'chain 'M' and resid 146 through 148' Processing helix chain 'M' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE M 172 " --> pdb=" O PRO M 168 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ARG M 175 " --> pdb=" O ASP M 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN M 177 " --> pdb=" O VAL M 173 " (cutoff:3.500A) Processing helix chain 'M' and resid 186 through 201 removed outlier: 3.798A pdb=" N VAL M 192 " --> pdb=" O LYS M 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE M 193 " --> pdb=" O ALA M 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU M 195 " --> pdb=" O LYS M 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU M 196 " --> pdb=" O VAL M 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR M 199 " --> pdb=" O GLU M 195 " (cutoff:3.500A) Processing helix chain 'M' and resid 203 through 211 removed outlier: 3.813A pdb=" N ALA M 209 " --> pdb=" O GLU M 205 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N LYS M 211 " --> pdb=" O GLN M 207 " (cutoff:3.500A) Processing helix chain 'M' and resid 212 through 214 No H-bonds generated for 'chain 'M' and resid 212 through 214' Processing helix chain 'M' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU M 226 " --> pdb=" O ASP M 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR M 227 " --> pdb=" O VAL M 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA M 230 " --> pdb=" O GLU M 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS M 231 " --> pdb=" O TYR M 227 " (cutoff:3.500A) Processing helix chain 'N' and resid 29 through 43 removed outlier: 3.536A pdb=" N LYS N 37 " --> pdb=" O LEU N 33 " (cutoff:3.500A) Processing helix chain 'N' and resid 47 through 60 Processing helix chain 'N' and resid 64 through 76 removed outlier: 3.727A pdb=" N GLU N 69 " --> pdb=" O PRO N 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE N 70 " --> pdb=" O TYR N 66 " (cutoff:3.500A) Processing helix chain 'N' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU N 82 " --> pdb=" O PRO N 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN N 83 " --> pdb=" O SER N 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU N 94 " --> pdb=" O ASP N 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN N 95 " --> pdb=" O GLY N 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG N 97 " --> pdb=" O GLN N 93 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ARG N 98 " --> pdb=" O GLU N 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA N 101 " --> pdb=" O ARG N 97 " (cutoff:3.500A) Processing helix chain 'N' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU N 113 " --> pdb=" O ASP N 109 " (cutoff:3.500A) Processing helix chain 'N' and resid 122 through 127 Processing helix chain 'N' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN N 136 " --> pdb=" O GLU N 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA N 139 " --> pdb=" O GLU N 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE N 140 " --> pdb=" O GLN N 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG N 143 " --> pdb=" O ALA N 139 " (cutoff:3.500A) Processing helix chain 'N' and resid 146 through 148 No H-bonds generated for 'chain 'N' and resid 146 through 148' Processing helix chain 'N' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE N 172 " --> pdb=" O PRO N 168 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ARG N 175 " --> pdb=" O ASP N 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN N 177 " --> pdb=" O VAL N 173 " (cutoff:3.500A) Processing helix chain 'N' and resid 186 through 201 removed outlier: 3.798A pdb=" N VAL N 192 " --> pdb=" O LYS N 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE N 193 " --> pdb=" O ALA N 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU N 195 " --> pdb=" O LYS N 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU N 196 " --> pdb=" O VAL N 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR N 199 " --> pdb=" O GLU N 195 " (cutoff:3.500A) Processing helix chain 'N' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA N 209 " --> pdb=" O GLU N 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS N 211 " --> pdb=" O GLN N 207 " (cutoff:3.500A) Processing helix chain 'N' and resid 212 through 214 No H-bonds generated for 'chain 'N' and resid 212 through 214' Processing helix chain 'N' and resid 222 through 232 removed outlier: 3.842A pdb=" N GLU N 226 " --> pdb=" O ASP N 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR N 227 " --> pdb=" O VAL N 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA N 230 " --> pdb=" O GLU N 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS N 231 " --> pdb=" O TYR N 227 " (cutoff:3.500A) Processing helix chain 'O' and resid 29 through 43 removed outlier: 3.534A pdb=" N LYS O 37 " --> pdb=" O LEU O 33 " (cutoff:3.500A) Processing helix chain 'O' and resid 47 through 60 Processing helix chain 'O' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU O 69 " --> pdb=" O PRO O 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE O 70 " --> pdb=" O TYR O 66 " (cutoff:3.500A) Processing helix chain 'O' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU O 82 " --> pdb=" O PRO O 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN O 83 " --> pdb=" O SER O 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU O 94 " --> pdb=" O ASP O 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN O 95 " --> pdb=" O GLY O 91 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ARG O 97 " --> pdb=" O GLN O 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG O 98 " --> pdb=" O GLU O 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA O 101 " --> pdb=" O ARG O 97 " (cutoff:3.500A) Processing helix chain 'O' and resid 109 through 115 removed outlier: 3.634A pdb=" N LEU O 113 " --> pdb=" O ASP O 109 " (cutoff:3.500A) Processing helix chain 'O' and resid 122 through 127 Processing helix chain 'O' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN O 136 " --> pdb=" O GLU O 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA O 139 " --> pdb=" O GLU O 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE O 140 " --> pdb=" O GLN O 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG O 143 " --> pdb=" O ALA O 139 " (cutoff:3.500A) Processing helix chain 'O' and resid 146 through 148 No H-bonds generated for 'chain 'O' and resid 146 through 148' Processing helix chain 'O' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE O 172 " --> pdb=" O PRO O 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG O 175 " --> pdb=" O ASP O 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN O 177 " --> pdb=" O VAL O 173 " (cutoff:3.500A) Processing helix chain 'O' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL O 192 " --> pdb=" O LYS O 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE O 193 " --> pdb=" O ALA O 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU O 195 " --> pdb=" O LYS O 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU O 196 " --> pdb=" O VAL O 192 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N TYR O 199 " --> pdb=" O GLU O 195 " (cutoff:3.500A) Processing helix chain 'O' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA O 209 " --> pdb=" O GLU O 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS O 211 " --> pdb=" O GLN O 207 " (cutoff:3.500A) Processing helix chain 'O' and resid 212 through 214 No H-bonds generated for 'chain 'O' and resid 212 through 214' Processing helix chain 'O' and resid 222 through 232 removed outlier: 3.844A pdb=" N GLU O 226 " --> pdb=" O ASP O 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR O 227 " --> pdb=" O VAL O 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA O 230 " --> pdb=" O GLU O 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS O 231 " --> pdb=" O TYR O 227 " (cutoff:3.500A) Processing helix chain 'P' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS P 37 " --> pdb=" O LEU P 33 " (cutoff:3.500A) Processing helix chain 'P' and resid 47 through 60 Processing helix chain 'P' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU P 69 " --> pdb=" O PRO P 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE P 70 " --> pdb=" O TYR P 66 " (cutoff:3.500A) Processing helix chain 'P' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU P 82 " --> pdb=" O PRO P 78 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N GLN P 83 " --> pdb=" O SER P 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU P 94 " --> pdb=" O ASP P 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN P 95 " --> pdb=" O GLY P 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG P 97 " --> pdb=" O GLN P 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG P 98 " --> pdb=" O GLU P 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA P 101 " --> pdb=" O ARG P 97 " (cutoff:3.500A) Processing helix chain 'P' and resid 109 through 115 removed outlier: 3.634A pdb=" N LEU P 113 " --> pdb=" O ASP P 109 " (cutoff:3.500A) Processing helix chain 'P' and resid 122 through 127 Processing helix chain 'P' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN P 136 " --> pdb=" O GLU P 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA P 139 " --> pdb=" O GLU P 135 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE P 140 " --> pdb=" O GLN P 136 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ARG P 143 " --> pdb=" O ALA P 139 " (cutoff:3.500A) Processing helix chain 'P' and resid 146 through 148 No H-bonds generated for 'chain 'P' and resid 146 through 148' Processing helix chain 'P' and resid 168 through 184 removed outlier: 3.601A pdb=" N PHE P 172 " --> pdb=" O PRO P 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG P 175 " --> pdb=" O ASP P 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN P 177 " --> pdb=" O VAL P 173 " (cutoff:3.500A) Processing helix chain 'P' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL P 192 " --> pdb=" O LYS P 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE P 193 " --> pdb=" O ALA P 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU P 195 " --> pdb=" O LYS P 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU P 196 " --> pdb=" O VAL P 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR P 199 " --> pdb=" O GLU P 195 " (cutoff:3.500A) Processing helix chain 'P' and resid 203 through 211 removed outlier: 3.813A pdb=" N ALA P 209 " --> pdb=" O GLU P 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS P 211 " --> pdb=" O GLN P 207 " (cutoff:3.500A) Processing helix chain 'P' and resid 212 through 214 No H-bonds generated for 'chain 'P' and resid 212 through 214' Processing helix chain 'P' and resid 222 through 232 removed outlier: 3.844A pdb=" N GLU P 226 " --> pdb=" O ASP P 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR P 227 " --> pdb=" O VAL P 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA P 230 " --> pdb=" O GLU P 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS P 231 " --> pdb=" O TYR P 227 " (cutoff:3.500A) Processing helix chain 'Q' and resid 29 through 43 removed outlier: 3.534A pdb=" N LYS Q 37 " --> pdb=" O LEU Q 33 " (cutoff:3.500A) Processing helix chain 'Q' and resid 47 through 60 Processing helix chain 'Q' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU Q 69 " --> pdb=" O PRO Q 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE Q 70 " --> pdb=" O TYR Q 66 " (cutoff:3.500A) Processing helix chain 'Q' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU Q 82 " --> pdb=" O PRO Q 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN Q 83 " --> pdb=" O SER Q 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU Q 94 " --> pdb=" O ASP Q 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN Q 95 " --> pdb=" O GLY Q 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG Q 97 " --> pdb=" O GLN Q 93 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ARG Q 98 " --> pdb=" O GLU Q 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA Q 101 " --> pdb=" O ARG Q 97 " (cutoff:3.500A) Processing helix chain 'Q' and resid 109 through 115 removed outlier: 3.634A pdb=" N LEU Q 113 " --> pdb=" O ASP Q 109 " (cutoff:3.500A) Processing helix chain 'Q' and resid 122 through 127 Processing helix chain 'Q' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN Q 136 " --> pdb=" O GLU Q 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA Q 139 " --> pdb=" O GLU Q 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE Q 140 " --> pdb=" O GLN Q 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG Q 143 " --> pdb=" O ALA Q 139 " (cutoff:3.500A) Processing helix chain 'Q' and resid 146 through 148 No H-bonds generated for 'chain 'Q' and resid 146 through 148' Processing helix chain 'Q' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE Q 172 " --> pdb=" O PRO Q 168 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ARG Q 175 " --> pdb=" O ASP Q 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN Q 177 " --> pdb=" O VAL Q 173 " (cutoff:3.500A) Processing helix chain 'Q' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL Q 192 " --> pdb=" O LYS Q 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE Q 193 " --> pdb=" O ALA Q 189 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N GLU Q 195 " --> pdb=" O LYS Q 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU Q 196 " --> pdb=" O VAL Q 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR Q 199 " --> pdb=" O GLU Q 195 " (cutoff:3.500A) Processing helix chain 'Q' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA Q 209 " --> pdb=" O GLU Q 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS Q 211 " --> pdb=" O GLN Q 207 " (cutoff:3.500A) Processing helix chain 'Q' and resid 212 through 214 No H-bonds generated for 'chain 'Q' and resid 212 through 214' Processing helix chain 'Q' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU Q 226 " --> pdb=" O ASP Q 222 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N TYR Q 227 " --> pdb=" O VAL Q 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA Q 230 " --> pdb=" O GLU Q 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS Q 231 " --> pdb=" O TYR Q 227 " (cutoff:3.500A) Processing helix chain 'R' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS R 37 " --> pdb=" O LEU R 33 " (cutoff:3.500A) Processing helix chain 'R' and resid 47 through 60 Processing helix chain 'R' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU R 69 " --> pdb=" O PRO R 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE R 70 " --> pdb=" O TYR R 66 " (cutoff:3.500A) Processing helix chain 'R' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU R 82 " --> pdb=" O PRO R 78 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N GLN R 83 " --> pdb=" O SER R 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU R 94 " --> pdb=" O ASP R 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN R 95 " --> pdb=" O GLY R 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG R 97 " --> pdb=" O GLN R 93 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ARG R 98 " --> pdb=" O GLU R 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA R 101 " --> pdb=" O ARG R 97 " (cutoff:3.500A) Processing helix chain 'R' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU R 113 " --> pdb=" O ASP R 109 " (cutoff:3.500A) Processing helix chain 'R' and resid 122 through 127 Processing helix chain 'R' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN R 136 " --> pdb=" O GLU R 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA R 139 " --> pdb=" O GLU R 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE R 140 " --> pdb=" O GLN R 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG R 143 " --> pdb=" O ALA R 139 " (cutoff:3.500A) Processing helix chain 'R' and resid 146 through 148 No H-bonds generated for 'chain 'R' and resid 146 through 148' Processing helix chain 'R' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE R 172 " --> pdb=" O PRO R 168 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ARG R 175 " --> pdb=" O ASP R 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN R 177 " --> pdb=" O VAL R 173 " (cutoff:3.500A) Processing helix chain 'R' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL R 192 " --> pdb=" O LYS R 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE R 193 " --> pdb=" O ALA R 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU R 195 " --> pdb=" O LYS R 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU R 196 " --> pdb=" O VAL R 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR R 199 " --> pdb=" O GLU R 195 " (cutoff:3.500A) Processing helix chain 'R' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA R 209 " --> pdb=" O GLU R 205 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N LYS R 211 " --> pdb=" O GLN R 207 " (cutoff:3.500A) Processing helix chain 'R' and resid 212 through 214 No H-bonds generated for 'chain 'R' and resid 212 through 214' Processing helix chain 'R' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU R 226 " --> pdb=" O ASP R 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR R 227 " --> pdb=" O VAL R 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA R 230 " --> pdb=" O GLU R 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS R 231 " --> pdb=" O TYR R 227 " (cutoff:3.500A) Processing helix chain 'S' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS S 37 " --> pdb=" O LEU S 33 " (cutoff:3.500A) Processing helix chain 'S' and resid 47 through 60 Processing helix chain 'S' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU S 69 " --> pdb=" O PRO S 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE S 70 " --> pdb=" O TYR S 66 " (cutoff:3.500A) Processing helix chain 'S' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU S 82 " --> pdb=" O PRO S 78 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N GLN S 83 " --> pdb=" O SER S 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU S 94 " --> pdb=" O ASP S 90 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLN S 95 " --> pdb=" O GLY S 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG S 97 " --> pdb=" O GLN S 93 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ARG S 98 " --> pdb=" O GLU S 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA S 101 " --> pdb=" O ARG S 97 " (cutoff:3.500A) Processing helix chain 'S' and resid 109 through 115 removed outlier: 3.634A pdb=" N LEU S 113 " --> pdb=" O ASP S 109 " (cutoff:3.500A) Processing helix chain 'S' and resid 122 through 127 Processing helix chain 'S' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN S 136 " --> pdb=" O GLU S 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA S 139 " --> pdb=" O GLU S 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE S 140 " --> pdb=" O GLN S 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG S 143 " --> pdb=" O ALA S 139 " (cutoff:3.500A) Processing helix chain 'S' and resid 146 through 148 No H-bonds generated for 'chain 'S' and resid 146 through 148' Processing helix chain 'S' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE S 172 " --> pdb=" O PRO S 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG S 175 " --> pdb=" O ASP S 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN S 177 " --> pdb=" O VAL S 173 " (cutoff:3.500A) Processing helix chain 'S' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL S 192 " --> pdb=" O LYS S 188 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N ILE S 193 " --> pdb=" O ALA S 189 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N GLU S 195 " --> pdb=" O LYS S 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU S 196 " --> pdb=" O VAL S 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR S 199 " --> pdb=" O GLU S 195 " (cutoff:3.500A) Processing helix chain 'S' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA S 209 " --> pdb=" O GLU S 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS S 211 " --> pdb=" O GLN S 207 " (cutoff:3.500A) Processing helix chain 'S' and resid 212 through 214 No H-bonds generated for 'chain 'S' and resid 212 through 214' Processing helix chain 'S' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU S 226 " --> pdb=" O ASP S 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR S 227 " --> pdb=" O VAL S 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA S 230 " --> pdb=" O GLU S 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS S 231 " --> pdb=" O TYR S 227 " (cutoff:3.500A) Processing helix chain 'T' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS T 37 " --> pdb=" O LEU T 33 " (cutoff:3.500A) Processing helix chain 'T' and resid 47 through 60 Processing helix chain 'T' and resid 64 through 76 removed outlier: 3.725A pdb=" N GLU T 69 " --> pdb=" O PRO T 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE T 70 " --> pdb=" O TYR T 66 " (cutoff:3.500A) Processing helix chain 'T' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU T 82 " --> pdb=" O PRO T 78 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N GLN T 83 " --> pdb=" O SER T 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU T 94 " --> pdb=" O ASP T 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN T 95 " --> pdb=" O GLY T 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG T 97 " --> pdb=" O GLN T 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG T 98 " --> pdb=" O GLU T 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA T 101 " --> pdb=" O ARG T 97 " (cutoff:3.500A) Processing helix chain 'T' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU T 113 " --> pdb=" O ASP T 109 " (cutoff:3.500A) Processing helix chain 'T' and resid 122 through 127 Processing helix chain 'T' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN T 136 " --> pdb=" O GLU T 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA T 139 " --> pdb=" O GLU T 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE T 140 " --> pdb=" O GLN T 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG T 143 " --> pdb=" O ALA T 139 " (cutoff:3.500A) Processing helix chain 'T' and resid 146 through 148 No H-bonds generated for 'chain 'T' and resid 146 through 148' Processing helix chain 'T' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE T 172 " --> pdb=" O PRO T 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG T 175 " --> pdb=" O ASP T 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN T 177 " --> pdb=" O VAL T 173 " (cutoff:3.500A) Processing helix chain 'T' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL T 192 " --> pdb=" O LYS T 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE T 193 " --> pdb=" O ALA T 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU T 195 " --> pdb=" O LYS T 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU T 196 " --> pdb=" O VAL T 192 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N TYR T 199 " --> pdb=" O GLU T 195 " (cutoff:3.500A) Processing helix chain 'T' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA T 209 " --> pdb=" O GLU T 205 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N LYS T 211 " --> pdb=" O GLN T 207 " (cutoff:3.500A) Processing helix chain 'T' and resid 212 through 214 No H-bonds generated for 'chain 'T' and resid 212 through 214' Processing helix chain 'T' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU T 226 " --> pdb=" O ASP T 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR T 227 " --> pdb=" O VAL T 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA T 230 " --> pdb=" O GLU T 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS T 231 " --> pdb=" O TYR T 227 " (cutoff:3.500A) Processing helix chain 'U' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS U 37 " --> pdb=" O LEU U 33 " (cutoff:3.500A) Processing helix chain 'U' and resid 47 through 60 Processing helix chain 'U' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU U 69 " --> pdb=" O PRO U 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE U 70 " --> pdb=" O TYR U 66 " (cutoff:3.500A) Processing helix chain 'U' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU U 82 " --> pdb=" O PRO U 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN U 83 " --> pdb=" O SER U 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU U 94 " --> pdb=" O ASP U 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN U 95 " --> pdb=" O GLY U 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG U 97 " --> pdb=" O GLN U 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG U 98 " --> pdb=" O GLU U 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA U 101 " --> pdb=" O ARG U 97 " (cutoff:3.500A) Processing helix chain 'U' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU U 113 " --> pdb=" O ASP U 109 " (cutoff:3.500A) Processing helix chain 'U' and resid 122 through 127 Processing helix chain 'U' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN U 136 " --> pdb=" O GLU U 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA U 139 " --> pdb=" O GLU U 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE U 140 " --> pdb=" O GLN U 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG U 143 " --> pdb=" O ALA U 139 " (cutoff:3.500A) Processing helix chain 'U' and resid 146 through 148 No H-bonds generated for 'chain 'U' and resid 146 through 148' Processing helix chain 'U' and resid 168 through 184 removed outlier: 3.601A pdb=" N PHE U 172 " --> pdb=" O PRO U 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG U 175 " --> pdb=" O ASP U 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN U 177 " --> pdb=" O VAL U 173 " (cutoff:3.500A) Processing helix chain 'U' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL U 192 " --> pdb=" O LYS U 188 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE U 193 " --> pdb=" O ALA U 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU U 195 " --> pdb=" O LYS U 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU U 196 " --> pdb=" O VAL U 192 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N TYR U 199 " --> pdb=" O GLU U 195 " (cutoff:3.500A) Processing helix chain 'U' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA U 209 " --> pdb=" O GLU U 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS U 211 " --> pdb=" O GLN U 207 " (cutoff:3.500A) Processing helix chain 'U' and resid 212 through 214 No H-bonds generated for 'chain 'U' and resid 212 through 214' Processing helix chain 'U' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU U 226 " --> pdb=" O ASP U 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR U 227 " --> pdb=" O VAL U 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA U 230 " --> pdb=" O GLU U 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS U 231 " --> pdb=" O TYR U 227 " (cutoff:3.500A) Processing helix chain 'V' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS V 37 " --> pdb=" O LEU V 33 " (cutoff:3.500A) Processing helix chain 'V' and resid 47 through 60 Processing helix chain 'V' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU V 69 " --> pdb=" O PRO V 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE V 70 " --> pdb=" O TYR V 66 " (cutoff:3.500A) Processing helix chain 'V' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU V 82 " --> pdb=" O PRO V 78 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N GLN V 83 " --> pdb=" O SER V 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU V 94 " --> pdb=" O ASP V 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN V 95 " --> pdb=" O GLY V 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG V 97 " --> pdb=" O GLN V 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG V 98 " --> pdb=" O GLU V 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA V 101 " --> pdb=" O ARG V 97 " (cutoff:3.500A) Processing helix chain 'V' and resid 109 through 115 removed outlier: 3.634A pdb=" N LEU V 113 " --> pdb=" O ASP V 109 " (cutoff:3.500A) Processing helix chain 'V' and resid 122 through 127 Processing helix chain 'V' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN V 136 " --> pdb=" O GLU V 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA V 139 " --> pdb=" O GLU V 135 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE V 140 " --> pdb=" O GLN V 136 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ARG V 143 " --> pdb=" O ALA V 139 " (cutoff:3.500A) Processing helix chain 'V' and resid 146 through 148 No H-bonds generated for 'chain 'V' and resid 146 through 148' Processing helix chain 'V' and resid 168 through 184 removed outlier: 3.601A pdb=" N PHE V 172 " --> pdb=" O PRO V 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG V 175 " --> pdb=" O ASP V 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN V 177 " --> pdb=" O VAL V 173 " (cutoff:3.500A) Processing helix chain 'V' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL V 192 " --> pdb=" O LYS V 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE V 193 " --> pdb=" O ALA V 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU V 195 " --> pdb=" O LYS V 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU V 196 " --> pdb=" O VAL V 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR V 199 " --> pdb=" O GLU V 195 " (cutoff:3.500A) Processing helix chain 'V' and resid 203 through 211 removed outlier: 3.813A pdb=" N ALA V 209 " --> pdb=" O GLU V 205 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N LYS V 211 " --> pdb=" O GLN V 207 " (cutoff:3.500A) Processing helix chain 'V' and resid 212 through 214 No H-bonds generated for 'chain 'V' and resid 212 through 214' Processing helix chain 'V' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU V 226 " --> pdb=" O ASP V 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR V 227 " --> pdb=" O VAL V 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA V 230 " --> pdb=" O GLU V 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS V 231 " --> pdb=" O TYR V 227 " (cutoff:3.500A) Processing helix chain 'W' and resid 29 through 43 removed outlier: 3.534A pdb=" N LYS W 37 " --> pdb=" O LEU W 33 " (cutoff:3.500A) Processing helix chain 'W' and resid 47 through 60 Processing helix chain 'W' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU W 69 " --> pdb=" O PRO W 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE W 70 " --> pdb=" O TYR W 66 " (cutoff:3.500A) Processing helix chain 'W' and resid 77 through 101 removed outlier: 3.515A pdb=" N LEU W 82 " --> pdb=" O PRO W 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN W 83 " --> pdb=" O SER W 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU W 94 " --> pdb=" O ASP W 90 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN W 95 " --> pdb=" O GLY W 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG W 97 " --> pdb=" O GLN W 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG W 98 " --> pdb=" O GLU W 94 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ALA W 101 " --> pdb=" O ARG W 97 " (cutoff:3.500A) Processing helix chain 'W' and resid 109 through 115 removed outlier: 3.634A pdb=" N LEU W 113 " --> pdb=" O ASP W 109 " (cutoff:3.500A) Processing helix chain 'W' and resid 122 through 127 Processing helix chain 'W' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN W 136 " --> pdb=" O GLU W 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA W 139 " --> pdb=" O GLU W 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE W 140 " --> pdb=" O GLN W 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG W 143 " --> pdb=" O ALA W 139 " (cutoff:3.500A) Processing helix chain 'W' and resid 146 through 148 No H-bonds generated for 'chain 'W' and resid 146 through 148' Processing helix chain 'W' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE W 172 " --> pdb=" O PRO W 168 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ARG W 175 " --> pdb=" O ASP W 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN W 177 " --> pdb=" O VAL W 173 " (cutoff:3.500A) Processing helix chain 'W' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL W 192 " --> pdb=" O LYS W 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE W 193 " --> pdb=" O ALA W 189 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N GLU W 195 " --> pdb=" O LYS W 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU W 196 " --> pdb=" O VAL W 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR W 199 " --> pdb=" O GLU W 195 " (cutoff:3.500A) Processing helix chain 'W' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA W 209 " --> pdb=" O GLU W 205 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N LYS W 211 " --> pdb=" O GLN W 207 " (cutoff:3.500A) Processing helix chain 'W' and resid 212 through 214 No H-bonds generated for 'chain 'W' and resid 212 through 214' Processing helix chain 'W' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU W 226 " --> pdb=" O ASP W 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR W 227 " --> pdb=" O VAL W 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA W 230 " --> pdb=" O GLU W 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS W 231 " --> pdb=" O TYR W 227 " (cutoff:3.500A) Processing helix chain 'X' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS X 37 " --> pdb=" O LEU X 33 " (cutoff:3.500A) Processing helix chain 'X' and resid 47 through 60 Processing helix chain 'X' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU X 69 " --> pdb=" O PRO X 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE X 70 " --> pdb=" O TYR X 66 " (cutoff:3.500A) Processing helix chain 'X' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU X 82 " --> pdb=" O PRO X 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN X 83 " --> pdb=" O SER X 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU X 94 " --> pdb=" O ASP X 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN X 95 " --> pdb=" O GLY X 91 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ARG X 97 " --> pdb=" O GLN X 93 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ARG X 98 " --> pdb=" O GLU X 94 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ALA X 101 " --> pdb=" O ARG X 97 " (cutoff:3.500A) Processing helix chain 'X' and resid 109 through 115 removed outlier: 3.636A pdb=" N LEU X 113 " --> pdb=" O ASP X 109 " (cutoff:3.500A) Processing helix chain 'X' and resid 122 through 127 Processing helix chain 'X' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN X 136 " --> pdb=" O GLU X 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA X 139 " --> pdb=" O GLU X 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE X 140 " --> pdb=" O GLN X 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG X 143 " --> pdb=" O ALA X 139 " (cutoff:3.500A) Processing helix chain 'X' and resid 146 through 148 No H-bonds generated for 'chain 'X' and resid 146 through 148' Processing helix chain 'X' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE X 172 " --> pdb=" O PRO X 168 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ARG X 175 " --> pdb=" O ASP X 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN X 177 " --> pdb=" O VAL X 173 " (cutoff:3.500A) Processing helix chain 'X' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL X 192 " --> pdb=" O LYS X 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE X 193 " --> pdb=" O ALA X 189 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N GLU X 195 " --> pdb=" O LYS X 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU X 196 " --> pdb=" O VAL X 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR X 199 " --> pdb=" O GLU X 195 " (cutoff:3.500A) Processing helix chain 'X' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA X 209 " --> pdb=" O GLU X 205 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N LYS X 211 " --> pdb=" O GLN X 207 " (cutoff:3.500A) Processing helix chain 'X' and resid 212 through 214 No H-bonds generated for 'chain 'X' and resid 212 through 214' Processing helix chain 'X' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU X 226 " --> pdb=" O ASP X 222 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N TYR X 227 " --> pdb=" O VAL X 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA X 230 " --> pdb=" O GLU X 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS X 231 " --> pdb=" O TYR X 227 " (cutoff:3.500A) Processing helix chain 'Y' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS Y 37 " --> pdb=" O LEU Y 33 " (cutoff:3.500A) Processing helix chain 'Y' and resid 47 through 60 Processing helix chain 'Y' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU Y 69 " --> pdb=" O PRO Y 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE Y 70 " --> pdb=" O TYR Y 66 " (cutoff:3.500A) Processing helix chain 'Y' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU Y 82 " --> pdb=" O PRO Y 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN Y 83 " --> pdb=" O SER Y 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU Y 94 " --> pdb=" O ASP Y 90 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN Y 95 " --> pdb=" O GLY Y 91 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N ARG Y 97 " --> pdb=" O GLN Y 93 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ARG Y 98 " --> pdb=" O GLU Y 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA Y 101 " --> pdb=" O ARG Y 97 " (cutoff:3.500A) Processing helix chain 'Y' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU Y 113 " --> pdb=" O ASP Y 109 " (cutoff:3.500A) Processing helix chain 'Y' and resid 122 through 127 Processing helix chain 'Y' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN Y 136 " --> pdb=" O GLU Y 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA Y 139 " --> pdb=" O GLU Y 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE Y 140 " --> pdb=" O GLN Y 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG Y 143 " --> pdb=" O ALA Y 139 " (cutoff:3.500A) Processing helix chain 'Y' and resid 146 through 148 No H-bonds generated for 'chain 'Y' and resid 146 through 148' Processing helix chain 'Y' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE Y 172 " --> pdb=" O PRO Y 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG Y 175 " --> pdb=" O ASP Y 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN Y 177 " --> pdb=" O VAL Y 173 " (cutoff:3.500A) Processing helix chain 'Y' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL Y 192 " --> pdb=" O LYS Y 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE Y 193 " --> pdb=" O ALA Y 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU Y 195 " --> pdb=" O LYS Y 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU Y 196 " --> pdb=" O VAL Y 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR Y 199 " --> pdb=" O GLU Y 195 " (cutoff:3.500A) Processing helix chain 'Y' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA Y 209 " --> pdb=" O GLU Y 205 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N LYS Y 211 " --> pdb=" O GLN Y 207 " (cutoff:3.500A) Processing helix chain 'Y' and resid 212 through 214 No H-bonds generated for 'chain 'Y' and resid 212 through 214' Processing helix chain 'Y' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU Y 226 " --> pdb=" O ASP Y 222 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N TYR Y 227 " --> pdb=" O VAL Y 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA Y 230 " --> pdb=" O GLU Y 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS Y 231 " --> pdb=" O TYR Y 227 " (cutoff:3.500A) Processing helix chain 'Z' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS Z 37 " --> pdb=" O LEU Z 33 " (cutoff:3.500A) Processing helix chain 'Z' and resid 47 through 60 Processing helix chain 'Z' and resid 64 through 76 removed outlier: 3.725A pdb=" N GLU Z 69 " --> pdb=" O PRO Z 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE Z 70 " --> pdb=" O TYR Z 66 " (cutoff:3.500A) Processing helix chain 'Z' and resid 77 through 101 removed outlier: 3.517A pdb=" N LEU Z 82 " --> pdb=" O PRO Z 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN Z 83 " --> pdb=" O SER Z 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU Z 94 " --> pdb=" O ASP Z 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN Z 95 " --> pdb=" O GLY Z 91 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ARG Z 97 " --> pdb=" O GLN Z 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG Z 98 " --> pdb=" O GLU Z 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA Z 101 " --> pdb=" O ARG Z 97 " (cutoff:3.500A) Processing helix chain 'Z' and resid 109 through 115 removed outlier: 3.634A pdb=" N LEU Z 113 " --> pdb=" O ASP Z 109 " (cutoff:3.500A) Processing helix chain 'Z' and resid 122 through 127 Processing helix chain 'Z' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN Z 136 " --> pdb=" O GLU Z 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA Z 139 " --> pdb=" O GLU Z 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE Z 140 " --> pdb=" O GLN Z 136 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ARG Z 143 " --> pdb=" O ALA Z 139 " (cutoff:3.500A) Processing helix chain 'Z' and resid 146 through 148 No H-bonds generated for 'chain 'Z' and resid 146 through 148' Processing helix chain 'Z' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE Z 172 " --> pdb=" O PRO Z 168 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ARG Z 175 " --> pdb=" O ASP Z 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN Z 177 " --> pdb=" O VAL Z 173 " (cutoff:3.500A) Processing helix chain 'Z' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL Z 192 " --> pdb=" O LYS Z 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE Z 193 " --> pdb=" O ALA Z 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU Z 195 " --> pdb=" O LYS Z 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU Z 196 " --> pdb=" O VAL Z 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR Z 199 " --> pdb=" O GLU Z 195 " (cutoff:3.500A) Processing helix chain 'Z' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA Z 209 " --> pdb=" O GLU Z 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS Z 211 " --> pdb=" O GLN Z 207 " (cutoff:3.500A) Processing helix chain 'Z' and resid 212 through 214 No H-bonds generated for 'chain 'Z' and resid 212 through 214' Processing helix chain 'Z' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU Z 226 " --> pdb=" O ASP Z 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR Z 227 " --> pdb=" O VAL Z 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA Z 230 " --> pdb=" O GLU Z 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS Z 231 " --> pdb=" O TYR Z 227 " (cutoff:3.500A) Processing helix chain '0' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS 0 37 " --> pdb=" O LEU 0 33 " (cutoff:3.500A) Processing helix chain '0' and resid 47 through 60 Processing helix chain '0' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU 0 69 " --> pdb=" O PRO 0 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE 0 70 " --> pdb=" O TYR 0 66 " (cutoff:3.500A) Processing helix chain '0' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU 0 82 " --> pdb=" O PRO 0 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN 0 83 " --> pdb=" O SER 0 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU 0 94 " --> pdb=" O ASP 0 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN 0 95 " --> pdb=" O GLY 0 91 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ARG 0 97 " --> pdb=" O GLN 0 93 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ARG 0 98 " --> pdb=" O GLU 0 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA 0 101 " --> pdb=" O ARG 0 97 " (cutoff:3.500A) Processing helix chain '0' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU 0 113 " --> pdb=" O ASP 0 109 " (cutoff:3.500A) Processing helix chain '0' and resid 122 through 127 Processing helix chain '0' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN 0 136 " --> pdb=" O GLU 0 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA 0 139 " --> pdb=" O GLU 0 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE 0 140 " --> pdb=" O GLN 0 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG 0 143 " --> pdb=" O ALA 0 139 " (cutoff:3.500A) Processing helix chain '0' and resid 146 through 148 No H-bonds generated for 'chain '0' and resid 146 through 148' Processing helix chain '0' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE 0 172 " --> pdb=" O PRO 0 168 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ARG 0 175 " --> pdb=" O ASP 0 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN 0 177 " --> pdb=" O VAL 0 173 " (cutoff:3.500A) Processing helix chain '0' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL 0 192 " --> pdb=" O LYS 0 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE 0 193 " --> pdb=" O ALA 0 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU 0 195 " --> pdb=" O LYS 0 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU 0 196 " --> pdb=" O VAL 0 192 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N TYR 0 199 " --> pdb=" O GLU 0 195 " (cutoff:3.500A) Processing helix chain '0' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA 0 209 " --> pdb=" O GLU 0 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS 0 211 " --> pdb=" O GLN 0 207 " (cutoff:3.500A) Processing helix chain '0' and resid 212 through 214 No H-bonds generated for 'chain '0' and resid 212 through 214' Processing helix chain '0' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU 0 226 " --> pdb=" O ASP 0 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR 0 227 " --> pdb=" O VAL 0 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA 0 230 " --> pdb=" O GLU 0 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS 0 231 " --> pdb=" O TYR 0 227 " (cutoff:3.500A) Processing helix chain '1' and resid 29 through 43 removed outlier: 3.534A pdb=" N LYS 1 37 " --> pdb=" O LEU 1 33 " (cutoff:3.500A) Processing helix chain '1' and resid 47 through 60 Processing helix chain '1' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU 1 69 " --> pdb=" O PRO 1 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE 1 70 " --> pdb=" O TYR 1 66 " (cutoff:3.500A) Processing helix chain '1' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU 1 82 " --> pdb=" O PRO 1 78 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N GLN 1 83 " --> pdb=" O SER 1 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU 1 94 " --> pdb=" O ASP 1 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN 1 95 " --> pdb=" O GLY 1 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG 1 97 " --> pdb=" O GLN 1 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG 1 98 " --> pdb=" O GLU 1 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA 1 101 " --> pdb=" O ARG 1 97 " (cutoff:3.500A) Processing helix chain '1' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU 1 113 " --> pdb=" O ASP 1 109 " (cutoff:3.500A) Processing helix chain '1' and resid 122 through 127 Processing helix chain '1' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN 1 136 " --> pdb=" O GLU 1 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA 1 139 " --> pdb=" O GLU 1 135 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE 1 140 " --> pdb=" O GLN 1 136 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ARG 1 143 " --> pdb=" O ALA 1 139 " (cutoff:3.500A) Processing helix chain '1' and resid 146 through 148 No H-bonds generated for 'chain '1' and resid 146 through 148' Processing helix chain '1' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE 1 172 " --> pdb=" O PRO 1 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG 1 175 " --> pdb=" O ASP 1 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN 1 177 " --> pdb=" O VAL 1 173 " (cutoff:3.500A) Processing helix chain '1' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL 1 192 " --> pdb=" O LYS 1 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE 1 193 " --> pdb=" O ALA 1 189 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N GLU 1 195 " --> pdb=" O LYS 1 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU 1 196 " --> pdb=" O VAL 1 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR 1 199 " --> pdb=" O GLU 1 195 " (cutoff:3.500A) Processing helix chain '1' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA 1 209 " --> pdb=" O GLU 1 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS 1 211 " --> pdb=" O GLN 1 207 " (cutoff:3.500A) Processing helix chain '1' and resid 212 through 214 No H-bonds generated for 'chain '1' and resid 212 through 214' Processing helix chain '1' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU 1 226 " --> pdb=" O ASP 1 222 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N TYR 1 227 " --> pdb=" O VAL 1 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA 1 230 " --> pdb=" O GLU 1 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS 1 231 " --> pdb=" O TYR 1 227 " (cutoff:3.500A) Processing helix chain '2' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS 2 37 " --> pdb=" O LEU 2 33 " (cutoff:3.500A) Processing helix chain '2' and resid 47 through 60 Processing helix chain '2' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU 2 69 " --> pdb=" O PRO 2 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE 2 70 " --> pdb=" O TYR 2 66 " (cutoff:3.500A) Processing helix chain '2' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU 2 82 " --> pdb=" O PRO 2 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN 2 83 " --> pdb=" O SER 2 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU 2 94 " --> pdb=" O ASP 2 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN 2 95 " --> pdb=" O GLY 2 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG 2 97 " --> pdb=" O GLN 2 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG 2 98 " --> pdb=" O GLU 2 94 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ALA 2 101 " --> pdb=" O ARG 2 97 " (cutoff:3.500A) Processing helix chain '2' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU 2 113 " --> pdb=" O ASP 2 109 " (cutoff:3.500A) Processing helix chain '2' and resid 122 through 127 Processing helix chain '2' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN 2 136 " --> pdb=" O GLU 2 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA 2 139 " --> pdb=" O GLU 2 135 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE 2 140 " --> pdb=" O GLN 2 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG 2 143 " --> pdb=" O ALA 2 139 " (cutoff:3.500A) Processing helix chain '2' and resid 146 through 148 No H-bonds generated for 'chain '2' and resid 146 through 148' Processing helix chain '2' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE 2 172 " --> pdb=" O PRO 2 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG 2 175 " --> pdb=" O ASP 2 171 " (cutoff:3.500A) removed outlier: 3.847A pdb=" N GLN 2 177 " --> pdb=" O VAL 2 173 " (cutoff:3.500A) Processing helix chain '2' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL 2 192 " --> pdb=" O LYS 2 188 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE 2 193 " --> pdb=" O ALA 2 189 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N GLU 2 195 " --> pdb=" O LYS 2 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU 2 196 " --> pdb=" O VAL 2 192 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N TYR 2 199 " --> pdb=" O GLU 2 195 " (cutoff:3.500A) Processing helix chain '2' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA 2 209 " --> pdb=" O GLU 2 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS 2 211 " --> pdb=" O GLN 2 207 " (cutoff:3.500A) Processing helix chain '2' and resid 212 through 214 No H-bonds generated for 'chain '2' and resid 212 through 214' Processing helix chain '2' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU 2 226 " --> pdb=" O ASP 2 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR 2 227 " --> pdb=" O VAL 2 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA 2 230 " --> pdb=" O GLU 2 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS 2 231 " --> pdb=" O TYR 2 227 " (cutoff:3.500A) Processing helix chain '3' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS 3 37 " --> pdb=" O LEU 3 33 " (cutoff:3.500A) Processing helix chain '3' and resid 47 through 60 Processing helix chain '3' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU 3 69 " --> pdb=" O PRO 3 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE 3 70 " --> pdb=" O TYR 3 66 " (cutoff:3.500A) Processing helix chain '3' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU 3 82 " --> pdb=" O PRO 3 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN 3 83 " --> pdb=" O SER 3 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU 3 94 " --> pdb=" O ASP 3 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN 3 95 " --> pdb=" O GLY 3 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG 3 97 " --> pdb=" O GLN 3 93 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ARG 3 98 " --> pdb=" O GLU 3 94 " (cutoff:3.500A) removed outlier: 3.692A pdb=" N ALA 3 101 " --> pdb=" O ARG 3 97 " (cutoff:3.500A) Processing helix chain '3' and resid 109 through 115 removed outlier: 3.634A pdb=" N LEU 3 113 " --> pdb=" O ASP 3 109 " (cutoff:3.500A) Processing helix chain '3' and resid 122 through 127 Processing helix chain '3' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN 3 136 " --> pdb=" O GLU 3 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA 3 139 " --> pdb=" O GLU 3 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE 3 140 " --> pdb=" O GLN 3 136 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ARG 3 143 " --> pdb=" O ALA 3 139 " (cutoff:3.500A) Processing helix chain '3' and resid 146 through 148 No H-bonds generated for 'chain '3' and resid 146 through 148' Processing helix chain '3' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE 3 172 " --> pdb=" O PRO 3 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG 3 175 " --> pdb=" O ASP 3 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN 3 177 " --> pdb=" O VAL 3 173 " (cutoff:3.500A) Processing helix chain '3' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL 3 192 " --> pdb=" O LYS 3 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE 3 193 " --> pdb=" O ALA 3 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU 3 195 " --> pdb=" O LYS 3 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU 3 196 " --> pdb=" O VAL 3 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR 3 199 " --> pdb=" O GLU 3 195 " (cutoff:3.500A) Processing helix chain '3' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA 3 209 " --> pdb=" O GLU 3 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS 3 211 " --> pdb=" O GLN 3 207 " (cutoff:3.500A) Processing helix chain '3' and resid 212 through 214 No H-bonds generated for 'chain '3' and resid 212 through 214' Processing helix chain '3' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU 3 226 " --> pdb=" O ASP 3 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR 3 227 " --> pdb=" O VAL 3 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA 3 230 " --> pdb=" O GLU 3 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS 3 231 " --> pdb=" O TYR 3 227 " (cutoff:3.500A) Processing helix chain '4' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS 4 37 " --> pdb=" O LEU 4 33 " (cutoff:3.500A) Processing helix chain '4' and resid 47 through 60 Processing helix chain '4' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU 4 69 " --> pdb=" O PRO 4 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE 4 70 " --> pdb=" O TYR 4 66 " (cutoff:3.500A) Processing helix chain '4' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU 4 82 " --> pdb=" O PRO 4 78 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N GLN 4 83 " --> pdb=" O SER 4 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU 4 94 " --> pdb=" O ASP 4 90 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLN 4 95 " --> pdb=" O GLY 4 91 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ARG 4 97 " --> pdb=" O GLN 4 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG 4 98 " --> pdb=" O GLU 4 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA 4 101 " --> pdb=" O ARG 4 97 " (cutoff:3.500A) Processing helix chain '4' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU 4 113 " --> pdb=" O ASP 4 109 " (cutoff:3.500A) Processing helix chain '4' and resid 122 through 127 Processing helix chain '4' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN 4 136 " --> pdb=" O GLU 4 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA 4 139 " --> pdb=" O GLU 4 135 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE 4 140 " --> pdb=" O GLN 4 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG 4 143 " --> pdb=" O ALA 4 139 " (cutoff:3.500A) Processing helix chain '4' and resid 146 through 148 No H-bonds generated for 'chain '4' and resid 146 through 148' Processing helix chain '4' and resid 168 through 184 removed outlier: 3.601A pdb=" N PHE 4 172 " --> pdb=" O PRO 4 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG 4 175 " --> pdb=" O ASP 4 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN 4 177 " --> pdb=" O VAL 4 173 " (cutoff:3.500A) Processing helix chain '4' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL 4 192 " --> pdb=" O LYS 4 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE 4 193 " --> pdb=" O ALA 4 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU 4 195 " --> pdb=" O LYS 4 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU 4 196 " --> pdb=" O VAL 4 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR 4 199 " --> pdb=" O GLU 4 195 " (cutoff:3.500A) Processing helix chain '4' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA 4 209 " --> pdb=" O GLU 4 205 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N LYS 4 211 " --> pdb=" O GLN 4 207 " (cutoff:3.500A) Processing helix chain '4' and resid 212 through 214 No H-bonds generated for 'chain '4' and resid 212 through 214' Processing helix chain '4' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU 4 226 " --> pdb=" O ASP 4 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR 4 227 " --> pdb=" O VAL 4 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA 4 230 " --> pdb=" O GLU 4 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS 4 231 " --> pdb=" O TYR 4 227 " (cutoff:3.500A) Processing helix chain '5' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS 5 37 " --> pdb=" O LEU 5 33 " (cutoff:3.500A) Processing helix chain '5' and resid 47 through 60 Processing helix chain '5' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU 5 69 " --> pdb=" O PRO 5 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE 5 70 " --> pdb=" O TYR 5 66 " (cutoff:3.500A) Processing helix chain '5' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU 5 82 " --> pdb=" O PRO 5 78 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N GLN 5 83 " --> pdb=" O SER 5 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU 5 94 " --> pdb=" O ASP 5 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN 5 95 " --> pdb=" O GLY 5 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG 5 97 " --> pdb=" O GLN 5 93 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ARG 5 98 " --> pdb=" O GLU 5 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA 5 101 " --> pdb=" O ARG 5 97 " (cutoff:3.500A) Processing helix chain '5' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU 5 113 " --> pdb=" O ASP 5 109 " (cutoff:3.500A) Processing helix chain '5' and resid 122 through 127 Processing helix chain '5' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN 5 136 " --> pdb=" O GLU 5 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA 5 139 " --> pdb=" O GLU 5 135 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE 5 140 " --> pdb=" O GLN 5 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG 5 143 " --> pdb=" O ALA 5 139 " (cutoff:3.500A) Processing helix chain '5' and resid 146 through 148 No H-bonds generated for 'chain '5' and resid 146 through 148' Processing helix chain '5' and resid 168 through 184 removed outlier: 3.601A pdb=" N PHE 5 172 " --> pdb=" O PRO 5 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG 5 175 " --> pdb=" O ASP 5 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN 5 177 " --> pdb=" O VAL 5 173 " (cutoff:3.500A) Processing helix chain '5' and resid 186 through 201 removed outlier: 3.796A pdb=" N VAL 5 192 " --> pdb=" O LYS 5 188 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE 5 193 " --> pdb=" O ALA 5 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU 5 195 " --> pdb=" O LYS 5 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU 5 196 " --> pdb=" O VAL 5 192 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N TYR 5 199 " --> pdb=" O GLU 5 195 " (cutoff:3.500A) Processing helix chain '5' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA 5 209 " --> pdb=" O GLU 5 205 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N LYS 5 211 " --> pdb=" O GLN 5 207 " (cutoff:3.500A) Processing helix chain '5' and resid 212 through 214 No H-bonds generated for 'chain '5' and resid 212 through 214' Processing helix chain '5' and resid 222 through 232 removed outlier: 3.842A pdb=" N GLU 5 226 " --> pdb=" O ASP 5 222 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N TYR 5 227 " --> pdb=" O VAL 5 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA 5 230 " --> pdb=" O GLU 5 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS 5 231 " --> pdb=" O TYR 5 227 " (cutoff:3.500A) Processing helix chain '6' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS 6 37 " --> pdb=" O LEU 6 33 " (cutoff:3.500A) Processing helix chain '6' and resid 47 through 60 Processing helix chain '6' and resid 64 through 76 removed outlier: 3.727A pdb=" N GLU 6 69 " --> pdb=" O PRO 6 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE 6 70 " --> pdb=" O TYR 6 66 " (cutoff:3.500A) Processing helix chain '6' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU 6 82 " --> pdb=" O PRO 6 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN 6 83 " --> pdb=" O SER 6 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU 6 94 " --> pdb=" O ASP 6 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN 6 95 " --> pdb=" O GLY 6 91 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ARG 6 97 " --> pdb=" O GLN 6 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG 6 98 " --> pdb=" O GLU 6 94 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ALA 6 101 " --> pdb=" O ARG 6 97 " (cutoff:3.500A) Processing helix chain '6' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU 6 113 " --> pdb=" O ASP 6 109 " (cutoff:3.500A) Processing helix chain '6' and resid 122 through 127 Processing helix chain '6' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN 6 136 " --> pdb=" O GLU 6 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA 6 139 " --> pdb=" O GLU 6 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE 6 140 " --> pdb=" O GLN 6 136 " (cutoff:3.500A) removed outlier: 3.546A pdb=" N ARG 6 143 " --> pdb=" O ALA 6 139 " (cutoff:3.500A) Processing helix chain '6' and resid 146 through 148 No H-bonds generated for 'chain '6' and resid 146 through 148' Processing helix chain '6' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE 6 172 " --> pdb=" O PRO 6 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG 6 175 " --> pdb=" O ASP 6 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN 6 177 " --> pdb=" O VAL 6 173 " (cutoff:3.500A) Processing helix chain '6' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL 6 192 " --> pdb=" O LYS 6 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE 6 193 " --> pdb=" O ALA 6 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU 6 195 " --> pdb=" O LYS 6 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU 6 196 " --> pdb=" O VAL 6 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR 6 199 " --> pdb=" O GLU 6 195 " (cutoff:3.500A) Processing helix chain '6' and resid 203 through 211 removed outlier: 3.813A pdb=" N ALA 6 209 " --> pdb=" O GLU 6 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS 6 211 " --> pdb=" O GLN 6 207 " (cutoff:3.500A) Processing helix chain '6' and resid 212 through 214 No H-bonds generated for 'chain '6' and resid 212 through 214' Processing helix chain '6' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU 6 226 " --> pdb=" O ASP 6 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR 6 227 " --> pdb=" O VAL 6 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA 6 230 " --> pdb=" O GLU 6 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS 6 231 " --> pdb=" O TYR 6 227 " (cutoff:3.500A) Processing helix chain '7' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS 7 37 " --> pdb=" O LEU 7 33 " (cutoff:3.500A) Processing helix chain '7' and resid 47 through 60 Processing helix chain '7' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU 7 69 " --> pdb=" O PRO 7 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE 7 70 " --> pdb=" O TYR 7 66 " (cutoff:3.500A) Processing helix chain '7' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU 7 82 " --> pdb=" O PRO 7 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN 7 83 " --> pdb=" O SER 7 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU 7 94 " --> pdb=" O ASP 7 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN 7 95 " --> pdb=" O GLY 7 91 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ARG 7 97 " --> pdb=" O GLN 7 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG 7 98 " --> pdb=" O GLU 7 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA 7 101 " --> pdb=" O ARG 7 97 " (cutoff:3.500A) Processing helix chain '7' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU 7 113 " --> pdb=" O ASP 7 109 " (cutoff:3.500A) Processing helix chain '7' and resid 122 through 127 Processing helix chain '7' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN 7 136 " --> pdb=" O GLU 7 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA 7 139 " --> pdb=" O GLU 7 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE 7 140 " --> pdb=" O GLN 7 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG 7 143 " --> pdb=" O ALA 7 139 " (cutoff:3.500A) Processing helix chain '7' and resid 146 through 148 No H-bonds generated for 'chain '7' and resid 146 through 148' Processing helix chain '7' and resid 168 through 184 removed outlier: 3.601A pdb=" N PHE 7 172 " --> pdb=" O PRO 7 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG 7 175 " --> pdb=" O ASP 7 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN 7 177 " --> pdb=" O VAL 7 173 " (cutoff:3.500A) Processing helix chain '7' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL 7 192 " --> pdb=" O LYS 7 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE 7 193 " --> pdb=" O ALA 7 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU 7 195 " --> pdb=" O LYS 7 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU 7 196 " --> pdb=" O VAL 7 192 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N TYR 7 199 " --> pdb=" O GLU 7 195 " (cutoff:3.500A) Processing helix chain '7' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA 7 209 " --> pdb=" O GLU 7 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS 7 211 " --> pdb=" O GLN 7 207 " (cutoff:3.500A) Processing helix chain '7' and resid 212 through 214 No H-bonds generated for 'chain '7' and resid 212 through 214' Processing helix chain '7' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU 7 226 " --> pdb=" O ASP 7 222 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N TYR 7 227 " --> pdb=" O VAL 7 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA 7 230 " --> pdb=" O GLU 7 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS 7 231 " --> pdb=" O TYR 7 227 " (cutoff:3.500A) Processing helix chain '8' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS 8 37 " --> pdb=" O LEU 8 33 " (cutoff:3.500A) Processing helix chain '8' and resid 47 through 60 Processing helix chain '8' and resid 64 through 76 removed outlier: 3.725A pdb=" N GLU 8 69 " --> pdb=" O PRO 8 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE 8 70 " --> pdb=" O TYR 8 66 " (cutoff:3.500A) Processing helix chain '8' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU 8 82 " --> pdb=" O PRO 8 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN 8 83 " --> pdb=" O SER 8 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU 8 94 " --> pdb=" O ASP 8 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN 8 95 " --> pdb=" O GLY 8 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG 8 97 " --> pdb=" O GLN 8 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG 8 98 " --> pdb=" O GLU 8 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA 8 101 " --> pdb=" O ARG 8 97 " (cutoff:3.500A) Processing helix chain '8' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU 8 113 " --> pdb=" O ASP 8 109 " (cutoff:3.500A) Processing helix chain '8' and resid 122 through 127 Processing helix chain '8' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN 8 136 " --> pdb=" O GLU 8 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA 8 139 " --> pdb=" O GLU 8 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE 8 140 " --> pdb=" O GLN 8 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG 8 143 " --> pdb=" O ALA 8 139 " (cutoff:3.500A) Processing helix chain '8' and resid 146 through 148 No H-bonds generated for 'chain '8' and resid 146 through 148' Processing helix chain '8' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE 8 172 " --> pdb=" O PRO 8 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG 8 175 " --> pdb=" O ASP 8 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN 8 177 " --> pdb=" O VAL 8 173 " (cutoff:3.500A) Processing helix chain '8' and resid 186 through 201 removed outlier: 3.796A pdb=" N VAL 8 192 " --> pdb=" O LYS 8 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE 8 193 " --> pdb=" O ALA 8 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU 8 195 " --> pdb=" O LYS 8 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU 8 196 " --> pdb=" O VAL 8 192 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N TYR 8 199 " --> pdb=" O GLU 8 195 " (cutoff:3.500A) Processing helix chain '8' and resid 203 through 211 removed outlier: 3.813A pdb=" N ALA 8 209 " --> pdb=" O GLU 8 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS 8 211 " --> pdb=" O GLN 8 207 " (cutoff:3.500A) Processing helix chain '8' and resid 212 through 214 No H-bonds generated for 'chain '8' and resid 212 through 214' Processing helix chain '8' and resid 222 through 232 removed outlier: 3.844A pdb=" N GLU 8 226 " --> pdb=" O ASP 8 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR 8 227 " --> pdb=" O VAL 8 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA 8 230 " --> pdb=" O GLU 8 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS 8 231 " --> pdb=" O TYR 8 227 " (cutoff:3.500A) Processing helix chain '9' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS 9 37 " --> pdb=" O LEU 9 33 " (cutoff:3.500A) Processing helix chain '9' and resid 47 through 60 Processing helix chain '9' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU 9 69 " --> pdb=" O PRO 9 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE 9 70 " --> pdb=" O TYR 9 66 " (cutoff:3.500A) Processing helix chain '9' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU 9 82 " --> pdb=" O PRO 9 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN 9 83 " --> pdb=" O SER 9 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU 9 94 " --> pdb=" O ASP 9 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN 9 95 " --> pdb=" O GLY 9 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG 9 97 " --> pdb=" O GLN 9 93 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ARG 9 98 " --> pdb=" O GLU 9 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA 9 101 " --> pdb=" O ARG 9 97 " (cutoff:3.500A) Processing helix chain '9' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU 9 113 " --> pdb=" O ASP 9 109 " (cutoff:3.500A) Processing helix chain '9' and resid 122 through 127 Processing helix chain '9' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN 9 136 " --> pdb=" O GLU 9 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA 9 139 " --> pdb=" O GLU 9 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE 9 140 " --> pdb=" O GLN 9 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG 9 143 " --> pdb=" O ALA 9 139 " (cutoff:3.500A) Processing helix chain '9' and resid 146 through 148 No H-bonds generated for 'chain '9' and resid 146 through 148' Processing helix chain '9' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE 9 172 " --> pdb=" O PRO 9 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG 9 175 " --> pdb=" O ASP 9 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN 9 177 " --> pdb=" O VAL 9 173 " (cutoff:3.500A) Processing helix chain '9' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL 9 192 " --> pdb=" O LYS 9 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE 9 193 " --> pdb=" O ALA 9 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU 9 195 " --> pdb=" O LYS 9 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU 9 196 " --> pdb=" O VAL 9 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR 9 199 " --> pdb=" O GLU 9 195 " (cutoff:3.500A) Processing helix chain '9' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA 9 209 " --> pdb=" O GLU 9 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS 9 211 " --> pdb=" O GLN 9 207 " (cutoff:3.500A) Processing helix chain '9' and resid 212 through 214 No H-bonds generated for 'chain '9' and resid 212 through 214' Processing helix chain '9' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU 9 226 " --> pdb=" O ASP 9 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR 9 227 " --> pdb=" O VAL 9 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA 9 230 " --> pdb=" O GLU 9 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS 9 231 " --> pdb=" O TYR 9 227 " (cutoff:3.500A) Processing helix chain 'a' and resid 29 through 43 removed outlier: 3.536A pdb=" N LYS a 37 " --> pdb=" O LEU a 33 " (cutoff:3.500A) Processing helix chain 'a' and resid 47 through 60 Processing helix chain 'a' and resid 64 through 76 removed outlier: 3.725A pdb=" N GLU a 69 " --> pdb=" O PRO a 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE a 70 " --> pdb=" O TYR a 66 " (cutoff:3.500A) Processing helix chain 'a' and resid 77 through 101 removed outlier: 3.515A pdb=" N LEU a 82 " --> pdb=" O PRO a 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN a 83 " --> pdb=" O SER a 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU a 94 " --> pdb=" O ASP a 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN a 95 " --> pdb=" O GLY a 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG a 97 " --> pdb=" O GLN a 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG a 98 " --> pdb=" O GLU a 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA a 101 " --> pdb=" O ARG a 97 " (cutoff:3.500A) Processing helix chain 'a' and resid 109 through 115 removed outlier: 3.634A pdb=" N LEU a 113 " --> pdb=" O ASP a 109 " (cutoff:3.500A) Processing helix chain 'a' and resid 122 through 127 Processing helix chain 'a' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN a 136 " --> pdb=" O GLU a 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA a 139 " --> pdb=" O GLU a 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE a 140 " --> pdb=" O GLN a 136 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ARG a 143 " --> pdb=" O ALA a 139 " (cutoff:3.500A) Processing helix chain 'a' and resid 146 through 148 No H-bonds generated for 'chain 'a' and resid 146 through 148' Processing helix chain 'a' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE a 172 " --> pdb=" O PRO a 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG a 175 " --> pdb=" O ASP a 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN a 177 " --> pdb=" O VAL a 173 " (cutoff:3.500A) Processing helix chain 'a' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL a 192 " --> pdb=" O LYS a 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE a 193 " --> pdb=" O ALA a 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU a 195 " --> pdb=" O LYS a 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU a 196 " --> pdb=" O VAL a 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR a 199 " --> pdb=" O GLU a 195 " (cutoff:3.500A) Processing helix chain 'a' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA a 209 " --> pdb=" O GLU a 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS a 211 " --> pdb=" O GLN a 207 " (cutoff:3.500A) Processing helix chain 'a' and resid 212 through 214 No H-bonds generated for 'chain 'a' and resid 212 through 214' Processing helix chain 'a' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU a 226 " --> pdb=" O ASP a 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR a 227 " --> pdb=" O VAL a 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA a 230 " --> pdb=" O GLU a 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS a 231 " --> pdb=" O TYR a 227 " (cutoff:3.500A) Processing helix chain 'b' and resid 29 through 43 removed outlier: 3.534A pdb=" N LYS b 37 " --> pdb=" O LEU b 33 " (cutoff:3.500A) Processing helix chain 'b' and resid 47 through 60 Processing helix chain 'b' and resid 64 through 76 removed outlier: 3.725A pdb=" N GLU b 69 " --> pdb=" O PRO b 65 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE b 70 " --> pdb=" O TYR b 66 " (cutoff:3.500A) Processing helix chain 'b' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU b 82 " --> pdb=" O PRO b 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN b 83 " --> pdb=" O SER b 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU b 94 " --> pdb=" O ASP b 90 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN b 95 " --> pdb=" O GLY b 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG b 97 " --> pdb=" O GLN b 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG b 98 " --> pdb=" O GLU b 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA b 101 " --> pdb=" O ARG b 97 " (cutoff:3.500A) Processing helix chain 'b' and resid 109 through 115 removed outlier: 3.634A pdb=" N LEU b 113 " --> pdb=" O ASP b 109 " (cutoff:3.500A) Processing helix chain 'b' and resid 122 through 127 Processing helix chain 'b' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN b 136 " --> pdb=" O GLU b 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA b 139 " --> pdb=" O GLU b 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE b 140 " --> pdb=" O GLN b 136 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ARG b 143 " --> pdb=" O ALA b 139 " (cutoff:3.500A) Processing helix chain 'b' and resid 146 through 148 No H-bonds generated for 'chain 'b' and resid 146 through 148' Processing helix chain 'b' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE b 172 " --> pdb=" O PRO b 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG b 175 " --> pdb=" O ASP b 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN b 177 " --> pdb=" O VAL b 173 " (cutoff:3.500A) Processing helix chain 'b' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL b 192 " --> pdb=" O LYS b 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE b 193 " --> pdb=" O ALA b 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU b 195 " --> pdb=" O LYS b 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU b 196 " --> pdb=" O VAL b 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR b 199 " --> pdb=" O GLU b 195 " (cutoff:3.500A) Processing helix chain 'b' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA b 209 " --> pdb=" O GLU b 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS b 211 " --> pdb=" O GLN b 207 " (cutoff:3.500A) Processing helix chain 'b' and resid 212 through 214 No H-bonds generated for 'chain 'b' and resid 212 through 214' Processing helix chain 'b' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU b 226 " --> pdb=" O ASP b 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR b 227 " --> pdb=" O VAL b 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA b 230 " --> pdb=" O GLU b 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS b 231 " --> pdb=" O TYR b 227 " (cutoff:3.500A) Processing helix chain 'c' and resid 29 through 43 removed outlier: 3.536A pdb=" N LYS c 37 " --> pdb=" O LEU c 33 " (cutoff:3.500A) Processing helix chain 'c' and resid 47 through 60 Processing helix chain 'c' and resid 64 through 76 removed outlier: 3.725A pdb=" N GLU c 69 " --> pdb=" O PRO c 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE c 70 " --> pdb=" O TYR c 66 " (cutoff:3.500A) Processing helix chain 'c' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU c 82 " --> pdb=" O PRO c 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN c 83 " --> pdb=" O SER c 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU c 94 " --> pdb=" O ASP c 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN c 95 " --> pdb=" O GLY c 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG c 97 " --> pdb=" O GLN c 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG c 98 " --> pdb=" O GLU c 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA c 101 " --> pdb=" O ARG c 97 " (cutoff:3.500A) Processing helix chain 'c' and resid 109 through 115 removed outlier: 3.634A pdb=" N LEU c 113 " --> pdb=" O ASP c 109 " (cutoff:3.500A) Processing helix chain 'c' and resid 122 through 127 Processing helix chain 'c' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN c 136 " --> pdb=" O GLU c 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA c 139 " --> pdb=" O GLU c 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE c 140 " --> pdb=" O GLN c 136 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ARG c 143 " --> pdb=" O ALA c 139 " (cutoff:3.500A) Processing helix chain 'c' and resid 146 through 148 No H-bonds generated for 'chain 'c' and resid 146 through 148' Processing helix chain 'c' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE c 172 " --> pdb=" O PRO c 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG c 175 " --> pdb=" O ASP c 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN c 177 " --> pdb=" O VAL c 173 " (cutoff:3.500A) Processing helix chain 'c' and resid 186 through 201 removed outlier: 3.798A pdb=" N VAL c 192 " --> pdb=" O LYS c 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE c 193 " --> pdb=" O ALA c 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU c 195 " --> pdb=" O LYS c 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU c 196 " --> pdb=" O VAL c 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR c 199 " --> pdb=" O GLU c 195 " (cutoff:3.500A) Processing helix chain 'c' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA c 209 " --> pdb=" O GLU c 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS c 211 " --> pdb=" O GLN c 207 " (cutoff:3.500A) Processing helix chain 'c' and resid 212 through 214 No H-bonds generated for 'chain 'c' and resid 212 through 214' Processing helix chain 'c' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU c 226 " --> pdb=" O ASP c 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR c 227 " --> pdb=" O VAL c 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA c 230 " --> pdb=" O GLU c 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS c 231 " --> pdb=" O TYR c 227 " (cutoff:3.500A) Processing helix chain 'd' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS d 37 " --> pdb=" O LEU d 33 " (cutoff:3.500A) Processing helix chain 'd' and resid 47 through 60 Processing helix chain 'd' and resid 64 through 76 removed outlier: 3.725A pdb=" N GLU d 69 " --> pdb=" O PRO d 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE d 70 " --> pdb=" O TYR d 66 " (cutoff:3.500A) Processing helix chain 'd' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU d 82 " --> pdb=" O PRO d 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN d 83 " --> pdb=" O SER d 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU d 94 " --> pdb=" O ASP d 90 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN d 95 " --> pdb=" O GLY d 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG d 97 " --> pdb=" O GLN d 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG d 98 " --> pdb=" O GLU d 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA d 101 " --> pdb=" O ARG d 97 " (cutoff:3.500A) Processing helix chain 'd' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU d 113 " --> pdb=" O ASP d 109 " (cutoff:3.500A) Processing helix chain 'd' and resid 122 through 127 Processing helix chain 'd' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN d 136 " --> pdb=" O GLU d 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA d 139 " --> pdb=" O GLU d 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE d 140 " --> pdb=" O GLN d 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG d 143 " --> pdb=" O ALA d 139 " (cutoff:3.500A) Processing helix chain 'd' and resid 146 through 148 No H-bonds generated for 'chain 'd' and resid 146 through 148' Processing helix chain 'd' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE d 172 " --> pdb=" O PRO d 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG d 175 " --> pdb=" O ASP d 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN d 177 " --> pdb=" O VAL d 173 " (cutoff:3.500A) Processing helix chain 'd' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL d 192 " --> pdb=" O LYS d 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE d 193 " --> pdb=" O ALA d 189 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N GLU d 195 " --> pdb=" O LYS d 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU d 196 " --> pdb=" O VAL d 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR d 199 " --> pdb=" O GLU d 195 " (cutoff:3.500A) Processing helix chain 'd' and resid 203 through 211 removed outlier: 3.811A pdb=" N ALA d 209 " --> pdb=" O GLU d 205 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N LYS d 211 " --> pdb=" O GLN d 207 " (cutoff:3.500A) Processing helix chain 'd' and resid 212 through 214 No H-bonds generated for 'chain 'd' and resid 212 through 214' Processing helix chain 'd' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU d 226 " --> pdb=" O ASP d 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR d 227 " --> pdb=" O VAL d 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA d 230 " --> pdb=" O GLU d 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS d 231 " --> pdb=" O TYR d 227 " (cutoff:3.500A) Processing helix chain 'e' and resid 29 through 43 removed outlier: 3.534A pdb=" N LYS e 37 " --> pdb=" O LEU e 33 " (cutoff:3.500A) Processing helix chain 'e' and resid 47 through 60 Processing helix chain 'e' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU e 69 " --> pdb=" O PRO e 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE e 70 " --> pdb=" O TYR e 66 " (cutoff:3.500A) Processing helix chain 'e' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU e 82 " --> pdb=" O PRO e 78 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N GLN e 83 " --> pdb=" O SER e 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU e 94 " --> pdb=" O ASP e 90 " (cutoff:3.500A) removed outlier: 3.511A pdb=" N GLN e 95 " --> pdb=" O GLY e 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG e 97 " --> pdb=" O GLN e 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG e 98 " --> pdb=" O GLU e 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA e 101 " --> pdb=" O ARG e 97 " (cutoff:3.500A) Processing helix chain 'e' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU e 113 " --> pdb=" O ASP e 109 " (cutoff:3.500A) Processing helix chain 'e' and resid 122 through 127 Processing helix chain 'e' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN e 136 " --> pdb=" O GLU e 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA e 139 " --> pdb=" O GLU e 135 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE e 140 " --> pdb=" O GLN e 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG e 143 " --> pdb=" O ALA e 139 " (cutoff:3.500A) Processing helix chain 'e' and resid 146 through 148 No H-bonds generated for 'chain 'e' and resid 146 through 148' Processing helix chain 'e' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE e 172 " --> pdb=" O PRO e 168 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ARG e 175 " --> pdb=" O ASP e 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN e 177 " --> pdb=" O VAL e 173 " (cutoff:3.500A) Processing helix chain 'e' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL e 192 " --> pdb=" O LYS e 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE e 193 " --> pdb=" O ALA e 189 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N GLU e 195 " --> pdb=" O LYS e 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU e 196 " --> pdb=" O VAL e 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR e 199 " --> pdb=" O GLU e 195 " (cutoff:3.500A) Processing helix chain 'e' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA e 209 " --> pdb=" O GLU e 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS e 211 " --> pdb=" O GLN e 207 " (cutoff:3.500A) Processing helix chain 'e' and resid 212 through 214 No H-bonds generated for 'chain 'e' and resid 212 through 214' Processing helix chain 'e' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU e 226 " --> pdb=" O ASP e 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR e 227 " --> pdb=" O VAL e 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA e 230 " --> pdb=" O GLU e 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS e 231 " --> pdb=" O TYR e 227 " (cutoff:3.500A) Processing helix chain 'f' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS f 37 " --> pdb=" O LEU f 33 " (cutoff:3.500A) Processing helix chain 'f' and resid 47 through 60 Processing helix chain 'f' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU f 69 " --> pdb=" O PRO f 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE f 70 " --> pdb=" O TYR f 66 " (cutoff:3.500A) Processing helix chain 'f' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU f 82 " --> pdb=" O PRO f 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN f 83 " --> pdb=" O SER f 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU f 94 " --> pdb=" O ASP f 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN f 95 " --> pdb=" O GLY f 91 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ARG f 97 " --> pdb=" O GLN f 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG f 98 " --> pdb=" O GLU f 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA f 101 " --> pdb=" O ARG f 97 " (cutoff:3.500A) Processing helix chain 'f' and resid 109 through 115 removed outlier: 3.634A pdb=" N LEU f 113 " --> pdb=" O ASP f 109 " (cutoff:3.500A) Processing helix chain 'f' and resid 122 through 127 Processing helix chain 'f' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN f 136 " --> pdb=" O GLU f 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA f 139 " --> pdb=" O GLU f 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE f 140 " --> pdb=" O GLN f 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG f 143 " --> pdb=" O ALA f 139 " (cutoff:3.500A) Processing helix chain 'f' and resid 146 through 148 No H-bonds generated for 'chain 'f' and resid 146 through 148' Processing helix chain 'f' and resid 168 through 184 removed outlier: 3.601A pdb=" N PHE f 172 " --> pdb=" O PRO f 168 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ARG f 175 " --> pdb=" O ASP f 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN f 177 " --> pdb=" O VAL f 173 " (cutoff:3.500A) Processing helix chain 'f' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL f 192 " --> pdb=" O LYS f 188 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE f 193 " --> pdb=" O ALA f 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU f 195 " --> pdb=" O LYS f 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU f 196 " --> pdb=" O VAL f 192 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N TYR f 199 " --> pdb=" O GLU f 195 " (cutoff:3.500A) Processing helix chain 'f' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA f 209 " --> pdb=" O GLU f 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS f 211 " --> pdb=" O GLN f 207 " (cutoff:3.500A) Processing helix chain 'f' and resid 212 through 214 No H-bonds generated for 'chain 'f' and resid 212 through 214' Processing helix chain 'f' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU f 226 " --> pdb=" O ASP f 222 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N TYR f 227 " --> pdb=" O VAL f 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA f 230 " --> pdb=" O GLU f 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS f 231 " --> pdb=" O TYR f 227 " (cutoff:3.500A) Processing helix chain 'g' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS g 37 " --> pdb=" O LEU g 33 " (cutoff:3.500A) Processing helix chain 'g' and resid 47 through 60 Processing helix chain 'g' and resid 64 through 76 removed outlier: 3.725A pdb=" N GLU g 69 " --> pdb=" O PRO g 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE g 70 " --> pdb=" O TYR g 66 " (cutoff:3.500A) Processing helix chain 'g' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU g 82 " --> pdb=" O PRO g 78 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N GLN g 83 " --> pdb=" O SER g 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU g 94 " --> pdb=" O ASP g 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN g 95 " --> pdb=" O GLY g 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG g 97 " --> pdb=" O GLN g 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG g 98 " --> pdb=" O GLU g 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA g 101 " --> pdb=" O ARG g 97 " (cutoff:3.500A) Processing helix chain 'g' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU g 113 " --> pdb=" O ASP g 109 " (cutoff:3.500A) Processing helix chain 'g' and resid 122 through 127 Processing helix chain 'g' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN g 136 " --> pdb=" O GLU g 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA g 139 " --> pdb=" O GLU g 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE g 140 " --> pdb=" O GLN g 136 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ARG g 143 " --> pdb=" O ALA g 139 " (cutoff:3.500A) Processing helix chain 'g' and resid 146 through 148 No H-bonds generated for 'chain 'g' and resid 146 through 148' Processing helix chain 'g' and resid 168 through 184 removed outlier: 3.601A pdb=" N PHE g 172 " --> pdb=" O PRO g 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG g 175 " --> pdb=" O ASP g 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN g 177 " --> pdb=" O VAL g 173 " (cutoff:3.500A) Processing helix chain 'g' and resid 186 through 201 removed outlier: 3.798A pdb=" N VAL g 192 " --> pdb=" O LYS g 188 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE g 193 " --> pdb=" O ALA g 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU g 195 " --> pdb=" O LYS g 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU g 196 " --> pdb=" O VAL g 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR g 199 " --> pdb=" O GLU g 195 " (cutoff:3.500A) Processing helix chain 'g' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA g 209 " --> pdb=" O GLU g 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS g 211 " --> pdb=" O GLN g 207 " (cutoff:3.500A) Processing helix chain 'g' and resid 212 through 214 No H-bonds generated for 'chain 'g' and resid 212 through 214' Processing helix chain 'g' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU g 226 " --> pdb=" O ASP g 222 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N TYR g 227 " --> pdb=" O VAL g 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA g 230 " --> pdb=" O GLU g 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS g 231 " --> pdb=" O TYR g 227 " (cutoff:3.500A) Processing helix chain 'h' and resid 29 through 43 removed outlier: 3.536A pdb=" N LYS h 37 " --> pdb=" O LEU h 33 " (cutoff:3.500A) Processing helix chain 'h' and resid 47 through 60 Processing helix chain 'h' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU h 69 " --> pdb=" O PRO h 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE h 70 " --> pdb=" O TYR h 66 " (cutoff:3.500A) Processing helix chain 'h' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU h 82 " --> pdb=" O PRO h 78 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N GLN h 83 " --> pdb=" O SER h 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU h 94 " --> pdb=" O ASP h 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN h 95 " --> pdb=" O GLY h 91 " (cutoff:3.500A) removed outlier: 3.540A pdb=" N ARG h 97 " --> pdb=" O GLN h 93 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ARG h 98 " --> pdb=" O GLU h 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA h 101 " --> pdb=" O ARG h 97 " (cutoff:3.500A) Processing helix chain 'h' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU h 113 " --> pdb=" O ASP h 109 " (cutoff:3.500A) Processing helix chain 'h' and resid 122 through 127 Processing helix chain 'h' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN h 136 " --> pdb=" O GLU h 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA h 139 " --> pdb=" O GLU h 135 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE h 140 " --> pdb=" O GLN h 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG h 143 " --> pdb=" O ALA h 139 " (cutoff:3.500A) Processing helix chain 'h' and resid 146 through 148 No H-bonds generated for 'chain 'h' and resid 146 through 148' Processing helix chain 'h' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE h 172 " --> pdb=" O PRO h 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG h 175 " --> pdb=" O ASP h 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN h 177 " --> pdb=" O VAL h 173 " (cutoff:3.500A) Processing helix chain 'h' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL h 192 " --> pdb=" O LYS h 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE h 193 " --> pdb=" O ALA h 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU h 195 " --> pdb=" O LYS h 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU h 196 " --> pdb=" O VAL h 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR h 199 " --> pdb=" O GLU h 195 " (cutoff:3.500A) Processing helix chain 'h' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA h 209 " --> pdb=" O GLU h 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS h 211 " --> pdb=" O GLN h 207 " (cutoff:3.500A) Processing helix chain 'h' and resid 212 through 214 No H-bonds generated for 'chain 'h' and resid 212 through 214' Processing helix chain 'h' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU h 226 " --> pdb=" O ASP h 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR h 227 " --> pdb=" O VAL h 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA h 230 " --> pdb=" O GLU h 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS h 231 " --> pdb=" O TYR h 227 " (cutoff:3.500A) Processing helix chain 'i' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS i 37 " --> pdb=" O LEU i 33 " (cutoff:3.500A) Processing helix chain 'i' and resid 47 through 60 Processing helix chain 'i' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU i 69 " --> pdb=" O PRO i 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE i 70 " --> pdb=" O TYR i 66 " (cutoff:3.500A) Processing helix chain 'i' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU i 82 " --> pdb=" O PRO i 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN i 83 " --> pdb=" O SER i 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU i 94 " --> pdb=" O ASP i 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN i 95 " --> pdb=" O GLY i 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG i 97 " --> pdb=" O GLN i 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG i 98 " --> pdb=" O GLU i 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA i 101 " --> pdb=" O ARG i 97 " (cutoff:3.500A) Processing helix chain 'i' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU i 113 " --> pdb=" O ASP i 109 " (cutoff:3.500A) Processing helix chain 'i' and resid 122 through 127 Processing helix chain 'i' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN i 136 " --> pdb=" O GLU i 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA i 139 " --> pdb=" O GLU i 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE i 140 " --> pdb=" O GLN i 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG i 143 " --> pdb=" O ALA i 139 " (cutoff:3.500A) Processing helix chain 'i' and resid 146 through 148 No H-bonds generated for 'chain 'i' and resid 146 through 148' Processing helix chain 'i' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE i 172 " --> pdb=" O PRO i 168 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ARG i 175 " --> pdb=" O ASP i 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN i 177 " --> pdb=" O VAL i 173 " (cutoff:3.500A) Processing helix chain 'i' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL i 192 " --> pdb=" O LYS i 188 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE i 193 " --> pdb=" O ALA i 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU i 195 " --> pdb=" O LYS i 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU i 196 " --> pdb=" O VAL i 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR i 199 " --> pdb=" O GLU i 195 " (cutoff:3.500A) Processing helix chain 'i' and resid 203 through 211 removed outlier: 3.813A pdb=" N ALA i 209 " --> pdb=" O GLU i 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS i 211 " --> pdb=" O GLN i 207 " (cutoff:3.500A) Processing helix chain 'i' and resid 212 through 214 No H-bonds generated for 'chain 'i' and resid 212 through 214' Processing helix chain 'i' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU i 226 " --> pdb=" O ASP i 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR i 227 " --> pdb=" O VAL i 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA i 230 " --> pdb=" O GLU i 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS i 231 " --> pdb=" O TYR i 227 " (cutoff:3.500A) Processing helix chain 'j' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS j 37 " --> pdb=" O LEU j 33 " (cutoff:3.500A) Processing helix chain 'j' and resid 47 through 60 Processing helix chain 'j' and resid 64 through 76 removed outlier: 3.727A pdb=" N GLU j 69 " --> pdb=" O PRO j 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE j 70 " --> pdb=" O TYR j 66 " (cutoff:3.500A) Processing helix chain 'j' and resid 77 through 101 removed outlier: 3.515A pdb=" N LEU j 82 " --> pdb=" O PRO j 78 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N GLN j 83 " --> pdb=" O SER j 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU j 94 " --> pdb=" O ASP j 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN j 95 " --> pdb=" O GLY j 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG j 97 " --> pdb=" O GLN j 93 " (cutoff:3.500A) removed outlier: 3.726A pdb=" N ARG j 98 " --> pdb=" O GLU j 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA j 101 " --> pdb=" O ARG j 97 " (cutoff:3.500A) Processing helix chain 'j' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU j 113 " --> pdb=" O ASP j 109 " (cutoff:3.500A) Processing helix chain 'j' and resid 122 through 127 Processing helix chain 'j' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN j 136 " --> pdb=" O GLU j 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA j 139 " --> pdb=" O GLU j 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE j 140 " --> pdb=" O GLN j 136 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ARG j 143 " --> pdb=" O ALA j 139 " (cutoff:3.500A) Processing helix chain 'j' and resid 146 through 148 No H-bonds generated for 'chain 'j' and resid 146 through 148' Processing helix chain 'j' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE j 172 " --> pdb=" O PRO j 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG j 175 " --> pdb=" O ASP j 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN j 177 " --> pdb=" O VAL j 173 " (cutoff:3.500A) Processing helix chain 'j' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL j 192 " --> pdb=" O LYS j 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE j 193 " --> pdb=" O ALA j 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU j 195 " --> pdb=" O LYS j 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU j 196 " --> pdb=" O VAL j 192 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N TYR j 199 " --> pdb=" O GLU j 195 " (cutoff:3.500A) Processing helix chain 'j' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA j 209 " --> pdb=" O GLU j 205 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N LYS j 211 " --> pdb=" O GLN j 207 " (cutoff:3.500A) Processing helix chain 'j' and resid 212 through 214 No H-bonds generated for 'chain 'j' and resid 212 through 214' Processing helix chain 'j' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU j 226 " --> pdb=" O ASP j 222 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N TYR j 227 " --> pdb=" O VAL j 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA j 230 " --> pdb=" O GLU j 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS j 231 " --> pdb=" O TYR j 227 " (cutoff:3.500A) Processing helix chain 'k' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS k 37 " --> pdb=" O LEU k 33 " (cutoff:3.500A) Processing helix chain 'k' and resid 47 through 60 Processing helix chain 'k' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU k 69 " --> pdb=" O PRO k 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE k 70 " --> pdb=" O TYR k 66 " (cutoff:3.500A) Processing helix chain 'k' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU k 82 " --> pdb=" O PRO k 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN k 83 " --> pdb=" O SER k 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU k 94 " --> pdb=" O ASP k 90 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN k 95 " --> pdb=" O GLY k 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG k 97 " --> pdb=" O GLN k 93 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ARG k 98 " --> pdb=" O GLU k 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA k 101 " --> pdb=" O ARG k 97 " (cutoff:3.500A) Processing helix chain 'k' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU k 113 " --> pdb=" O ASP k 109 " (cutoff:3.500A) Processing helix chain 'k' and resid 122 through 127 Processing helix chain 'k' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN k 136 " --> pdb=" O GLU k 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA k 139 " --> pdb=" O GLU k 135 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE k 140 " --> pdb=" O GLN k 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG k 143 " --> pdb=" O ALA k 139 " (cutoff:3.500A) Processing helix chain 'k' and resid 146 through 148 No H-bonds generated for 'chain 'k' and resid 146 through 148' Processing helix chain 'k' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE k 172 " --> pdb=" O PRO k 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG k 175 " --> pdb=" O ASP k 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN k 177 " --> pdb=" O VAL k 173 " (cutoff:3.500A) Processing helix chain 'k' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL k 192 " --> pdb=" O LYS k 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE k 193 " --> pdb=" O ALA k 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU k 195 " --> pdb=" O LYS k 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU k 196 " --> pdb=" O VAL k 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR k 199 " --> pdb=" O GLU k 195 " (cutoff:3.500A) Processing helix chain 'k' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA k 209 " --> pdb=" O GLU k 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS k 211 " --> pdb=" O GLN k 207 " (cutoff:3.500A) Processing helix chain 'k' and resid 212 through 214 No H-bonds generated for 'chain 'k' and resid 212 through 214' Processing helix chain 'k' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU k 226 " --> pdb=" O ASP k 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR k 227 " --> pdb=" O VAL k 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA k 230 " --> pdb=" O GLU k 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS k 231 " --> pdb=" O TYR k 227 " (cutoff:3.500A) Processing helix chain 'l' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS l 37 " --> pdb=" O LEU l 33 " (cutoff:3.500A) Processing helix chain 'l' and resid 47 through 60 Processing helix chain 'l' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU l 69 " --> pdb=" O PRO l 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE l 70 " --> pdb=" O TYR l 66 " (cutoff:3.500A) Processing helix chain 'l' and resid 77 through 101 removed outlier: 3.517A pdb=" N LEU l 82 " --> pdb=" O PRO l 78 " (cutoff:3.500A) removed outlier: 3.582A pdb=" N GLN l 83 " --> pdb=" O SER l 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU l 94 " --> pdb=" O ASP l 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN l 95 " --> pdb=" O GLY l 91 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ARG l 97 " --> pdb=" O GLN l 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG l 98 " --> pdb=" O GLU l 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA l 101 " --> pdb=" O ARG l 97 " (cutoff:3.500A) Processing helix chain 'l' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU l 113 " --> pdb=" O ASP l 109 " (cutoff:3.500A) Processing helix chain 'l' and resid 122 through 127 Processing helix chain 'l' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN l 136 " --> pdb=" O GLU l 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA l 139 " --> pdb=" O GLU l 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE l 140 " --> pdb=" O GLN l 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG l 143 " --> pdb=" O ALA l 139 " (cutoff:3.500A) Processing helix chain 'l' and resid 146 through 148 No H-bonds generated for 'chain 'l' and resid 146 through 148' Processing helix chain 'l' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE l 172 " --> pdb=" O PRO l 168 " (cutoff:3.500A) removed outlier: 3.585A pdb=" N ARG l 175 " --> pdb=" O ASP l 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN l 177 " --> pdb=" O VAL l 173 " (cutoff:3.500A) Processing helix chain 'l' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL l 192 " --> pdb=" O LYS l 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE l 193 " --> pdb=" O ALA l 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU l 195 " --> pdb=" O LYS l 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU l 196 " --> pdb=" O VAL l 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR l 199 " --> pdb=" O GLU l 195 " (cutoff:3.500A) Processing helix chain 'l' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA l 209 " --> pdb=" O GLU l 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS l 211 " --> pdb=" O GLN l 207 " (cutoff:3.500A) Processing helix chain 'l' and resid 212 through 214 No H-bonds generated for 'chain 'l' and resid 212 through 214' Processing helix chain 'l' and resid 222 through 232 removed outlier: 3.842A pdb=" N GLU l 226 " --> pdb=" O ASP l 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR l 227 " --> pdb=" O VAL l 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA l 230 " --> pdb=" O GLU l 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS l 231 " --> pdb=" O TYR l 227 " (cutoff:3.500A) Processing helix chain 'm' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS m 37 " --> pdb=" O LEU m 33 " (cutoff:3.500A) Processing helix chain 'm' and resid 47 through 60 Processing helix chain 'm' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU m 69 " --> pdb=" O PRO m 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE m 70 " --> pdb=" O TYR m 66 " (cutoff:3.500A) Processing helix chain 'm' and resid 77 through 101 removed outlier: 3.517A pdb=" N LEU m 82 " --> pdb=" O PRO m 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN m 83 " --> pdb=" O SER m 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU m 94 " --> pdb=" O ASP m 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN m 95 " --> pdb=" O GLY m 91 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ARG m 97 " --> pdb=" O GLN m 93 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ARG m 98 " --> pdb=" O GLU m 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA m 101 " --> pdb=" O ARG m 97 " (cutoff:3.500A) Processing helix chain 'm' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU m 113 " --> pdb=" O ASP m 109 " (cutoff:3.500A) Processing helix chain 'm' and resid 122 through 127 Processing helix chain 'm' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN m 136 " --> pdb=" O GLU m 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA m 139 " --> pdb=" O GLU m 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE m 140 " --> pdb=" O GLN m 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG m 143 " --> pdb=" O ALA m 139 " (cutoff:3.500A) Processing helix chain 'm' and resid 146 through 148 No H-bonds generated for 'chain 'm' and resid 146 through 148' Processing helix chain 'm' and resid 168 through 184 removed outlier: 3.601A pdb=" N PHE m 172 " --> pdb=" O PRO m 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG m 175 " --> pdb=" O ASP m 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN m 177 " --> pdb=" O VAL m 173 " (cutoff:3.500A) Processing helix chain 'm' and resid 186 through 201 removed outlier: 3.796A pdb=" N VAL m 192 " --> pdb=" O LYS m 188 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE m 193 " --> pdb=" O ALA m 189 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N GLU m 195 " --> pdb=" O LYS m 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU m 196 " --> pdb=" O VAL m 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR m 199 " --> pdb=" O GLU m 195 " (cutoff:3.500A) Processing helix chain 'm' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA m 209 " --> pdb=" O GLU m 205 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N LYS m 211 " --> pdb=" O GLN m 207 " (cutoff:3.500A) Processing helix chain 'm' and resid 212 through 214 No H-bonds generated for 'chain 'm' and resid 212 through 214' Processing helix chain 'm' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU m 226 " --> pdb=" O ASP m 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR m 227 " --> pdb=" O VAL m 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA m 230 " --> pdb=" O GLU m 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS m 231 " --> pdb=" O TYR m 227 " (cutoff:3.500A) Processing helix chain 'n' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS n 37 " --> pdb=" O LEU n 33 " (cutoff:3.500A) Processing helix chain 'n' and resid 47 through 60 Processing helix chain 'n' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU n 69 " --> pdb=" O PRO n 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE n 70 " --> pdb=" O TYR n 66 " (cutoff:3.500A) Processing helix chain 'n' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU n 82 " --> pdb=" O PRO n 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN n 83 " --> pdb=" O SER n 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU n 94 " --> pdb=" O ASP n 90 " (cutoff:3.500A) removed outlier: 3.509A pdb=" N GLN n 95 " --> pdb=" O GLY n 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG n 97 " --> pdb=" O GLN n 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG n 98 " --> pdb=" O GLU n 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA n 101 " --> pdb=" O ARG n 97 " (cutoff:3.500A) Processing helix chain 'n' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU n 113 " --> pdb=" O ASP n 109 " (cutoff:3.500A) Processing helix chain 'n' and resid 122 through 127 Processing helix chain 'n' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN n 136 " --> pdb=" O GLU n 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA n 139 " --> pdb=" O GLU n 135 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE n 140 " --> pdb=" O GLN n 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG n 143 " --> pdb=" O ALA n 139 " (cutoff:3.500A) Processing helix chain 'n' and resid 146 through 148 No H-bonds generated for 'chain 'n' and resid 146 through 148' Processing helix chain 'n' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE n 172 " --> pdb=" O PRO n 168 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ARG n 175 " --> pdb=" O ASP n 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN n 177 " --> pdb=" O VAL n 173 " (cutoff:3.500A) Processing helix chain 'n' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL n 192 " --> pdb=" O LYS n 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE n 193 " --> pdb=" O ALA n 189 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N GLU n 195 " --> pdb=" O LYS n 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU n 196 " --> pdb=" O VAL n 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR n 199 " --> pdb=" O GLU n 195 " (cutoff:3.500A) Processing helix chain 'n' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA n 209 " --> pdb=" O GLU n 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS n 211 " --> pdb=" O GLN n 207 " (cutoff:3.500A) Processing helix chain 'n' and resid 212 through 214 No H-bonds generated for 'chain 'n' and resid 212 through 214' Processing helix chain 'n' and resid 222 through 232 removed outlier: 3.844A pdb=" N GLU n 226 " --> pdb=" O ASP n 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR n 227 " --> pdb=" O VAL n 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA n 230 " --> pdb=" O GLU n 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS n 231 " --> pdb=" O TYR n 227 " (cutoff:3.500A) Processing helix chain 'o' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS o 37 " --> pdb=" O LEU o 33 " (cutoff:3.500A) Processing helix chain 'o' and resid 47 through 60 Processing helix chain 'o' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU o 69 " --> pdb=" O PRO o 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE o 70 " --> pdb=" O TYR o 66 " (cutoff:3.500A) Processing helix chain 'o' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU o 82 " --> pdb=" O PRO o 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN o 83 " --> pdb=" O SER o 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU o 94 " --> pdb=" O ASP o 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN o 95 " --> pdb=" O GLY o 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG o 97 " --> pdb=" O GLN o 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG o 98 " --> pdb=" O GLU o 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA o 101 " --> pdb=" O ARG o 97 " (cutoff:3.500A) Processing helix chain 'o' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU o 113 " --> pdb=" O ASP o 109 " (cutoff:3.500A) Processing helix chain 'o' and resid 122 through 127 Processing helix chain 'o' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN o 136 " --> pdb=" O GLU o 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA o 139 " --> pdb=" O GLU o 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE o 140 " --> pdb=" O GLN o 136 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ARG o 143 " --> pdb=" O ALA o 139 " (cutoff:3.500A) Processing helix chain 'o' and resid 146 through 148 No H-bonds generated for 'chain 'o' and resid 146 through 148' Processing helix chain 'o' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE o 172 " --> pdb=" O PRO o 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG o 175 " --> pdb=" O ASP o 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN o 177 " --> pdb=" O VAL o 173 " (cutoff:3.500A) Processing helix chain 'o' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL o 192 " --> pdb=" O LYS o 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE o 193 " --> pdb=" O ALA o 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU o 195 " --> pdb=" O LYS o 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU o 196 " --> pdb=" O VAL o 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR o 199 " --> pdb=" O GLU o 195 " (cutoff:3.500A) Processing helix chain 'o' and resid 203 through 211 removed outlier: 3.813A pdb=" N ALA o 209 " --> pdb=" O GLU o 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS o 211 " --> pdb=" O GLN o 207 " (cutoff:3.500A) Processing helix chain 'o' and resid 212 through 214 No H-bonds generated for 'chain 'o' and resid 212 through 214' Processing helix chain 'o' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU o 226 " --> pdb=" O ASP o 222 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N TYR o 227 " --> pdb=" O VAL o 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA o 230 " --> pdb=" O GLU o 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS o 231 " --> pdb=" O TYR o 227 " (cutoff:3.500A) Processing helix chain 'p' and resid 29 through 43 removed outlier: 3.534A pdb=" N LYS p 37 " --> pdb=" O LEU p 33 " (cutoff:3.500A) Processing helix chain 'p' and resid 47 through 60 Processing helix chain 'p' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU p 69 " --> pdb=" O PRO p 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE p 70 " --> pdb=" O TYR p 66 " (cutoff:3.500A) Processing helix chain 'p' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU p 82 " --> pdb=" O PRO p 78 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N GLN p 83 " --> pdb=" O SER p 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU p 94 " --> pdb=" O ASP p 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN p 95 " --> pdb=" O GLY p 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG p 97 " --> pdb=" O GLN p 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG p 98 " --> pdb=" O GLU p 94 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ALA p 101 " --> pdb=" O ARG p 97 " (cutoff:3.500A) Processing helix chain 'p' and resid 109 through 115 removed outlier: 3.634A pdb=" N LEU p 113 " --> pdb=" O ASP p 109 " (cutoff:3.500A) Processing helix chain 'p' and resid 122 through 127 Processing helix chain 'p' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN p 136 " --> pdb=" O GLU p 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA p 139 " --> pdb=" O GLU p 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE p 140 " --> pdb=" O GLN p 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG p 143 " --> pdb=" O ALA p 139 " (cutoff:3.500A) Processing helix chain 'p' and resid 146 through 148 No H-bonds generated for 'chain 'p' and resid 146 through 148' Processing helix chain 'p' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE p 172 " --> pdb=" O PRO p 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG p 175 " --> pdb=" O ASP p 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN p 177 " --> pdb=" O VAL p 173 " (cutoff:3.500A) Processing helix chain 'p' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL p 192 " --> pdb=" O LYS p 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE p 193 " --> pdb=" O ALA p 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU p 195 " --> pdb=" O LYS p 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU p 196 " --> pdb=" O VAL p 192 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N TYR p 199 " --> pdb=" O GLU p 195 " (cutoff:3.500A) Processing helix chain 'p' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA p 209 " --> pdb=" O GLU p 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS p 211 " --> pdb=" O GLN p 207 " (cutoff:3.500A) Processing helix chain 'p' and resid 212 through 214 No H-bonds generated for 'chain 'p' and resid 212 through 214' Processing helix chain 'p' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU p 226 " --> pdb=" O ASP p 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR p 227 " --> pdb=" O VAL p 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA p 230 " --> pdb=" O GLU p 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS p 231 " --> pdb=" O TYR p 227 " (cutoff:3.500A) Processing helix chain 'q' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS q 37 " --> pdb=" O LEU q 33 " (cutoff:3.500A) Processing helix chain 'q' and resid 47 through 60 Processing helix chain 'q' and resid 64 through 76 removed outlier: 3.725A pdb=" N GLU q 69 " --> pdb=" O PRO q 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE q 70 " --> pdb=" O TYR q 66 " (cutoff:3.500A) Processing helix chain 'q' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU q 82 " --> pdb=" O PRO q 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN q 83 " --> pdb=" O SER q 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU q 94 " --> pdb=" O ASP q 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN q 95 " --> pdb=" O GLY q 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG q 97 " --> pdb=" O GLN q 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG q 98 " --> pdb=" O GLU q 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA q 101 " --> pdb=" O ARG q 97 " (cutoff:3.500A) Processing helix chain 'q' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU q 113 " --> pdb=" O ASP q 109 " (cutoff:3.500A) Processing helix chain 'q' and resid 122 through 127 Processing helix chain 'q' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN q 136 " --> pdb=" O GLU q 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA q 139 " --> pdb=" O GLU q 135 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE q 140 " --> pdb=" O GLN q 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG q 143 " --> pdb=" O ALA q 139 " (cutoff:3.500A) Processing helix chain 'q' and resid 146 through 148 No H-bonds generated for 'chain 'q' and resid 146 through 148' Processing helix chain 'q' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE q 172 " --> pdb=" O PRO q 168 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ARG q 175 " --> pdb=" O ASP q 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN q 177 " --> pdb=" O VAL q 173 " (cutoff:3.500A) Processing helix chain 'q' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL q 192 " --> pdb=" O LYS q 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE q 193 " --> pdb=" O ALA q 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU q 195 " --> pdb=" O LYS q 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU q 196 " --> pdb=" O VAL q 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR q 199 " --> pdb=" O GLU q 195 " (cutoff:3.500A) Processing helix chain 'q' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA q 209 " --> pdb=" O GLU q 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS q 211 " --> pdb=" O GLN q 207 " (cutoff:3.500A) Processing helix chain 'q' and resid 212 through 214 No H-bonds generated for 'chain 'q' and resid 212 through 214' Processing helix chain 'q' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU q 226 " --> pdb=" O ASP q 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR q 227 " --> pdb=" O VAL q 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA q 230 " --> pdb=" O GLU q 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS q 231 " --> pdb=" O TYR q 227 " (cutoff:3.500A) Processing helix chain 'r' and resid 29 through 43 removed outlier: 3.534A pdb=" N LYS r 37 " --> pdb=" O LEU r 33 " (cutoff:3.500A) Processing helix chain 'r' and resid 47 through 60 Processing helix chain 'r' and resid 64 through 76 removed outlier: 3.725A pdb=" N GLU r 69 " --> pdb=" O PRO r 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE r 70 " --> pdb=" O TYR r 66 " (cutoff:3.500A) Processing helix chain 'r' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU r 82 " --> pdb=" O PRO r 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN r 83 " --> pdb=" O SER r 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU r 94 " --> pdb=" O ASP r 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN r 95 " --> pdb=" O GLY r 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG r 97 " --> pdb=" O GLN r 93 " (cutoff:3.500A) removed outlier: 3.724A pdb=" N ARG r 98 " --> pdb=" O GLU r 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA r 101 " --> pdb=" O ARG r 97 " (cutoff:3.500A) Processing helix chain 'r' and resid 109 through 115 removed outlier: 3.634A pdb=" N LEU r 113 " --> pdb=" O ASP r 109 " (cutoff:3.500A) Processing helix chain 'r' and resid 122 through 127 Processing helix chain 'r' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN r 136 " --> pdb=" O GLU r 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA r 139 " --> pdb=" O GLU r 135 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N ILE r 140 " --> pdb=" O GLN r 136 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ARG r 143 " --> pdb=" O ALA r 139 " (cutoff:3.500A) Processing helix chain 'r' and resid 146 through 148 No H-bonds generated for 'chain 'r' and resid 146 through 148' Processing helix chain 'r' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE r 172 " --> pdb=" O PRO r 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG r 175 " --> pdb=" O ASP r 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN r 177 " --> pdb=" O VAL r 173 " (cutoff:3.500A) Processing helix chain 'r' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL r 192 " --> pdb=" O LYS r 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE r 193 " --> pdb=" O ALA r 189 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N GLU r 195 " --> pdb=" O LYS r 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU r 196 " --> pdb=" O VAL r 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR r 199 " --> pdb=" O GLU r 195 " (cutoff:3.500A) Processing helix chain 'r' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA r 209 " --> pdb=" O GLU r 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS r 211 " --> pdb=" O GLN r 207 " (cutoff:3.500A) Processing helix chain 'r' and resid 212 through 214 No H-bonds generated for 'chain 'r' and resid 212 through 214' Processing helix chain 'r' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU r 226 " --> pdb=" O ASP r 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR r 227 " --> pdb=" O VAL r 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA r 230 " --> pdb=" O GLU r 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS r 231 " --> pdb=" O TYR r 227 " (cutoff:3.500A) Processing helix chain 's' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS s 37 " --> pdb=" O LEU s 33 " (cutoff:3.500A) Processing helix chain 's' and resid 47 through 60 Processing helix chain 's' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU s 69 " --> pdb=" O PRO s 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE s 70 " --> pdb=" O TYR s 66 " (cutoff:3.500A) Processing helix chain 's' and resid 77 through 101 removed outlier: 3.517A pdb=" N LEU s 82 " --> pdb=" O PRO s 78 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N GLN s 83 " --> pdb=" O SER s 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU s 94 " --> pdb=" O ASP s 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN s 95 " --> pdb=" O GLY s 91 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ARG s 97 " --> pdb=" O GLN s 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG s 98 " --> pdb=" O GLU s 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA s 101 " --> pdb=" O ARG s 97 " (cutoff:3.500A) Processing helix chain 's' and resid 109 through 115 removed outlier: 3.634A pdb=" N LEU s 113 " --> pdb=" O ASP s 109 " (cutoff:3.500A) Processing helix chain 's' and resid 122 through 127 Processing helix chain 's' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN s 136 " --> pdb=" O GLU s 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA s 139 " --> pdb=" O GLU s 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE s 140 " --> pdb=" O GLN s 136 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ARG s 143 " --> pdb=" O ALA s 139 " (cutoff:3.500A) Processing helix chain 's' and resid 146 through 148 No H-bonds generated for 'chain 's' and resid 146 through 148' Processing helix chain 's' and resid 168 through 184 removed outlier: 3.601A pdb=" N PHE s 172 " --> pdb=" O PRO s 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG s 175 " --> pdb=" O ASP s 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN s 177 " --> pdb=" O VAL s 173 " (cutoff:3.500A) Processing helix chain 's' and resid 186 through 201 removed outlier: 3.796A pdb=" N VAL s 192 " --> pdb=" O LYS s 188 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE s 193 " --> pdb=" O ALA s 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU s 195 " --> pdb=" O LYS s 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU s 196 " --> pdb=" O VAL s 192 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N TYR s 199 " --> pdb=" O GLU s 195 " (cutoff:3.500A) Processing helix chain 's' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA s 209 " --> pdb=" O GLU s 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS s 211 " --> pdb=" O GLN s 207 " (cutoff:3.500A) Processing helix chain 's' and resid 212 through 214 No H-bonds generated for 'chain 's' and resid 212 through 214' Processing helix chain 's' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU s 226 " --> pdb=" O ASP s 222 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N TYR s 227 " --> pdb=" O VAL s 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA s 230 " --> pdb=" O GLU s 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS s 231 " --> pdb=" O TYR s 227 " (cutoff:3.500A) Processing helix chain 't' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS t 37 " --> pdb=" O LEU t 33 " (cutoff:3.500A) Processing helix chain 't' and resid 47 through 60 Processing helix chain 't' and resid 64 through 76 removed outlier: 3.725A pdb=" N GLU t 69 " --> pdb=" O PRO t 65 " (cutoff:3.500A) removed outlier: 3.529A pdb=" N ILE t 70 " --> pdb=" O TYR t 66 " (cutoff:3.500A) Processing helix chain 't' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU t 82 " --> pdb=" O PRO t 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN t 83 " --> pdb=" O SER t 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU t 94 " --> pdb=" O ASP t 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN t 95 " --> pdb=" O GLY t 91 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ARG t 97 " --> pdb=" O GLN t 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG t 98 " --> pdb=" O GLU t 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA t 101 " --> pdb=" O ARG t 97 " (cutoff:3.500A) Processing helix chain 't' and resid 109 through 115 removed outlier: 3.634A pdb=" N LEU t 113 " --> pdb=" O ASP t 109 " (cutoff:3.500A) Processing helix chain 't' and resid 122 through 127 Processing helix chain 't' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN t 136 " --> pdb=" O GLU t 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA t 139 " --> pdb=" O GLU t 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE t 140 " --> pdb=" O GLN t 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG t 143 " --> pdb=" O ALA t 139 " (cutoff:3.500A) Processing helix chain 't' and resid 146 through 148 No H-bonds generated for 'chain 't' and resid 146 through 148' Processing helix chain 't' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE t 172 " --> pdb=" O PRO t 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG t 175 " --> pdb=" O ASP t 171 " (cutoff:3.500A) removed outlier: 3.848A pdb=" N GLN t 177 " --> pdb=" O VAL t 173 " (cutoff:3.500A) Processing helix chain 't' and resid 186 through 201 removed outlier: 3.798A pdb=" N VAL t 192 " --> pdb=" O LYS t 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE t 193 " --> pdb=" O ALA t 189 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N GLU t 195 " --> pdb=" O LYS t 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU t 196 " --> pdb=" O VAL t 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR t 199 " --> pdb=" O GLU t 195 " (cutoff:3.500A) Processing helix chain 't' and resid 203 through 211 removed outlier: 3.813A pdb=" N ALA t 209 " --> pdb=" O GLU t 205 " (cutoff:3.500A) removed outlier: 3.727A pdb=" N LYS t 211 " --> pdb=" O GLN t 207 " (cutoff:3.500A) Processing helix chain 't' and resid 212 through 214 No H-bonds generated for 'chain 't' and resid 212 through 214' Processing helix chain 't' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU t 226 " --> pdb=" O ASP t 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR t 227 " --> pdb=" O VAL t 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA t 230 " --> pdb=" O GLU t 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS t 231 " --> pdb=" O TYR t 227 " (cutoff:3.500A) Processing helix chain 'u' and resid 29 through 43 removed outlier: 3.536A pdb=" N LYS u 37 " --> pdb=" O LEU u 33 " (cutoff:3.500A) Processing helix chain 'u' and resid 47 through 60 Processing helix chain 'u' and resid 64 through 76 removed outlier: 3.725A pdb=" N GLU u 69 " --> pdb=" O PRO u 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE u 70 " --> pdb=" O TYR u 66 " (cutoff:3.500A) Processing helix chain 'u' and resid 77 through 101 removed outlier: 3.517A pdb=" N LEU u 82 " --> pdb=" O PRO u 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN u 83 " --> pdb=" O SER u 79 " (cutoff:3.500A) removed outlier: 3.898A pdb=" N GLU u 94 " --> pdb=" O ASP u 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN u 95 " --> pdb=" O GLY u 91 " (cutoff:3.500A) removed outlier: 3.538A pdb=" N ARG u 97 " --> pdb=" O GLN u 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG u 98 " --> pdb=" O GLU u 94 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ALA u 101 " --> pdb=" O ARG u 97 " (cutoff:3.500A) Processing helix chain 'u' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU u 113 " --> pdb=" O ASP u 109 " (cutoff:3.500A) Processing helix chain 'u' and resid 122 through 127 Processing helix chain 'u' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN u 136 " --> pdb=" O GLU u 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA u 139 " --> pdb=" O GLU u 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE u 140 " --> pdb=" O GLN u 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG u 143 " --> pdb=" O ALA u 139 " (cutoff:3.500A) Processing helix chain 'u' and resid 146 through 148 No H-bonds generated for 'chain 'u' and resid 146 through 148' Processing helix chain 'u' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE u 172 " --> pdb=" O PRO u 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG u 175 " --> pdb=" O ASP u 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN u 177 " --> pdb=" O VAL u 173 " (cutoff:3.500A) Processing helix chain 'u' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL u 192 " --> pdb=" O LYS u 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE u 193 " --> pdb=" O ALA u 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU u 195 " --> pdb=" O LYS u 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU u 196 " --> pdb=" O VAL u 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR u 199 " --> pdb=" O GLU u 195 " (cutoff:3.500A) Processing helix chain 'u' and resid 203 through 211 removed outlier: 3.813A pdb=" N ALA u 209 " --> pdb=" O GLU u 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS u 211 " --> pdb=" O GLN u 207 " (cutoff:3.500A) Processing helix chain 'u' and resid 212 through 214 No H-bonds generated for 'chain 'u' and resid 212 through 214' Processing helix chain 'u' and resid 222 through 232 removed outlier: 3.844A pdb=" N GLU u 226 " --> pdb=" O ASP u 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR u 227 " --> pdb=" O VAL u 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA u 230 " --> pdb=" O GLU u 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS u 231 " --> pdb=" O TYR u 227 " (cutoff:3.500A) Processing helix chain 'v' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS v 37 " --> pdb=" O LEU v 33 " (cutoff:3.500A) Processing helix chain 'v' and resid 47 through 60 Processing helix chain 'v' and resid 64 through 76 removed outlier: 3.725A pdb=" N GLU v 69 " --> pdb=" O PRO v 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE v 70 " --> pdb=" O TYR v 66 " (cutoff:3.500A) Processing helix chain 'v' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU v 82 " --> pdb=" O PRO v 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN v 83 " --> pdb=" O SER v 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU v 94 " --> pdb=" O ASP v 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN v 95 " --> pdb=" O GLY v 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG v 97 " --> pdb=" O GLN v 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG v 98 " --> pdb=" O GLU v 94 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ALA v 101 " --> pdb=" O ARG v 97 " (cutoff:3.500A) Processing helix chain 'v' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU v 113 " --> pdb=" O ASP v 109 " (cutoff:3.500A) Processing helix chain 'v' and resid 122 through 127 Processing helix chain 'v' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN v 136 " --> pdb=" O GLU v 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA v 139 " --> pdb=" O GLU v 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE v 140 " --> pdb=" O GLN v 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG v 143 " --> pdb=" O ALA v 139 " (cutoff:3.500A) Processing helix chain 'v' and resid 146 through 148 No H-bonds generated for 'chain 'v' and resid 146 through 148' Processing helix chain 'v' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE v 172 " --> pdb=" O PRO v 168 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ARG v 175 " --> pdb=" O ASP v 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN v 177 " --> pdb=" O VAL v 173 " (cutoff:3.500A) Processing helix chain 'v' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL v 192 " --> pdb=" O LYS v 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE v 193 " --> pdb=" O ALA v 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU v 195 " --> pdb=" O LYS v 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU v 196 " --> pdb=" O VAL v 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR v 199 " --> pdb=" O GLU v 195 " (cutoff:3.500A) Processing helix chain 'v' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA v 209 " --> pdb=" O GLU v 205 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N LYS v 211 " --> pdb=" O GLN v 207 " (cutoff:3.500A) Processing helix chain 'v' and resid 212 through 214 No H-bonds generated for 'chain 'v' and resid 212 through 214' Processing helix chain 'v' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU v 226 " --> pdb=" O ASP v 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR v 227 " --> pdb=" O VAL v 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA v 230 " --> pdb=" O GLU v 226 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N CYS v 231 " --> pdb=" O TYR v 227 " (cutoff:3.500A) Processing helix chain 'w' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS w 37 " --> pdb=" O LEU w 33 " (cutoff:3.500A) Processing helix chain 'w' and resid 47 through 60 Processing helix chain 'w' and resid 64 through 76 removed outlier: 3.726A pdb=" N GLU w 69 " --> pdb=" O PRO w 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE w 70 " --> pdb=" O TYR w 66 " (cutoff:3.500A) Processing helix chain 'w' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU w 82 " --> pdb=" O PRO w 78 " (cutoff:3.500A) removed outlier: 3.584A pdb=" N GLN w 83 " --> pdb=" O SER w 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU w 94 " --> pdb=" O ASP w 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN w 95 " --> pdb=" O GLY w 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG w 97 " --> pdb=" O GLN w 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG w 98 " --> pdb=" O GLU w 94 " (cutoff:3.500A) removed outlier: 3.690A pdb=" N ALA w 101 " --> pdb=" O ARG w 97 " (cutoff:3.500A) Processing helix chain 'w' and resid 109 through 115 removed outlier: 3.634A pdb=" N LEU w 113 " --> pdb=" O ASP w 109 " (cutoff:3.500A) Processing helix chain 'w' and resid 122 through 127 Processing helix chain 'w' and resid 130 through 145 removed outlier: 3.524A pdb=" N GLN w 136 " --> pdb=" O GLU w 132 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N ALA w 139 " --> pdb=" O GLU w 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE w 140 " --> pdb=" O GLN w 136 " (cutoff:3.500A) removed outlier: 3.544A pdb=" N ARG w 143 " --> pdb=" O ALA w 139 " (cutoff:3.500A) Processing helix chain 'w' and resid 146 through 148 No H-bonds generated for 'chain 'w' and resid 146 through 148' Processing helix chain 'w' and resid 168 through 184 removed outlier: 3.602A pdb=" N PHE w 172 " --> pdb=" O PRO w 168 " (cutoff:3.500A) removed outlier: 3.586A pdb=" N ARG w 175 " --> pdb=" O ASP w 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN w 177 " --> pdb=" O VAL w 173 " (cutoff:3.500A) Processing helix chain 'w' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL w 192 " --> pdb=" O LYS w 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE w 193 " --> pdb=" O ALA w 189 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N GLU w 195 " --> pdb=" O LYS w 191 " (cutoff:3.500A) removed outlier: 3.772A pdb=" N LEU w 196 " --> pdb=" O VAL w 192 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N TYR w 199 " --> pdb=" O GLU w 195 " (cutoff:3.500A) Processing helix chain 'w' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA w 209 " --> pdb=" O GLU w 205 " (cutoff:3.500A) removed outlier: 3.728A pdb=" N LYS w 211 " --> pdb=" O GLN w 207 " (cutoff:3.500A) Processing helix chain 'w' and resid 212 through 214 No H-bonds generated for 'chain 'w' and resid 212 through 214' Processing helix chain 'w' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU w 226 " --> pdb=" O ASP w 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR w 227 " --> pdb=" O VAL w 223 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N ALA w 230 " --> pdb=" O GLU w 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS w 231 " --> pdb=" O TYR w 227 " (cutoff:3.500A) Processing helix chain 'x' and resid 29 through 43 removed outlier: 3.535A pdb=" N LYS x 37 " --> pdb=" O LEU x 33 " (cutoff:3.500A) Processing helix chain 'x' and resid 47 through 60 Processing helix chain 'x' and resid 64 through 76 removed outlier: 3.725A pdb=" N GLU x 69 " --> pdb=" O PRO x 65 " (cutoff:3.500A) removed outlier: 3.528A pdb=" N ILE x 70 " --> pdb=" O TYR x 66 " (cutoff:3.500A) Processing helix chain 'x' and resid 77 through 101 removed outlier: 3.516A pdb=" N LEU x 82 " --> pdb=" O PRO x 78 " (cutoff:3.500A) removed outlier: 3.583A pdb=" N GLN x 83 " --> pdb=" O SER x 79 " (cutoff:3.500A) removed outlier: 3.899A pdb=" N GLU x 94 " --> pdb=" O ASP x 90 " (cutoff:3.500A) removed outlier: 3.510A pdb=" N GLN x 95 " --> pdb=" O GLY x 91 " (cutoff:3.500A) removed outlier: 3.539A pdb=" N ARG x 97 " --> pdb=" O GLN x 93 " (cutoff:3.500A) removed outlier: 3.725A pdb=" N ARG x 98 " --> pdb=" O GLU x 94 " (cutoff:3.500A) removed outlier: 3.691A pdb=" N ALA x 101 " --> pdb=" O ARG x 97 " (cutoff:3.500A) Processing helix chain 'x' and resid 109 through 115 removed outlier: 3.635A pdb=" N LEU x 113 " --> pdb=" O ASP x 109 " (cutoff:3.500A) Processing helix chain 'x' and resid 122 through 127 Processing helix chain 'x' and resid 130 through 145 removed outlier: 3.525A pdb=" N GLN x 136 " --> pdb=" O GLU x 132 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N ALA x 139 " --> pdb=" O GLU x 135 " (cutoff:3.500A) removed outlier: 3.679A pdb=" N ILE x 140 " --> pdb=" O GLN x 136 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ARG x 143 " --> pdb=" O ALA x 139 " (cutoff:3.500A) Processing helix chain 'x' and resid 146 through 148 No H-bonds generated for 'chain 'x' and resid 146 through 148' Processing helix chain 'x' and resid 168 through 184 removed outlier: 3.601A pdb=" N PHE x 172 " --> pdb=" O PRO x 168 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N ARG x 175 " --> pdb=" O ASP x 171 " (cutoff:3.500A) removed outlier: 3.849A pdb=" N GLN x 177 " --> pdb=" O VAL x 173 " (cutoff:3.500A) Processing helix chain 'x' and resid 186 through 201 removed outlier: 3.797A pdb=" N VAL x 192 " --> pdb=" O LYS x 188 " (cutoff:3.500A) removed outlier: 3.527A pdb=" N ILE x 193 " --> pdb=" O ALA x 189 " (cutoff:3.500A) removed outlier: 3.788A pdb=" N GLU x 195 " --> pdb=" O LYS x 191 " (cutoff:3.500A) removed outlier: 3.773A pdb=" N LEU x 196 " --> pdb=" O VAL x 192 " (cutoff:3.500A) removed outlier: 3.993A pdb=" N TYR x 199 " --> pdb=" O GLU x 195 " (cutoff:3.500A) Processing helix chain 'x' and resid 203 through 211 removed outlier: 3.812A pdb=" N ALA x 209 " --> pdb=" O GLU x 205 " (cutoff:3.500A) removed outlier: 3.729A pdb=" N LYS x 211 " --> pdb=" O GLN x 207 " (cutoff:3.500A) Processing helix chain 'x' and resid 212 through 214 No H-bonds generated for 'chain 'x' and resid 212 through 214' Processing helix chain 'x' and resid 222 through 232 removed outlier: 3.843A pdb=" N GLU x 226 " --> pdb=" O ASP x 222 " (cutoff:3.500A) removed outlier: 3.587A pdb=" N TYR x 227 " --> pdb=" O VAL x 223 " (cutoff:3.500A) removed outlier: 3.551A pdb=" N ALA x 230 " --> pdb=" O GLU x 226 " (cutoff:3.500A) removed outlier: 3.588A pdb=" N CYS x 231 " --> pdb=" O TYR x 227 " (cutoff:3.500A) Processing sheet with id= 1, first strand: chain 'A' and resid 2 through 4 Processing sheet with id= 2, first strand: chain 'B' and resid 2 through 4 Processing sheet with id= 3, first strand: chain 'C' and resid 2 through 4 Processing sheet with id= 4, first strand: chain 'D' and resid 2 through 4 Processing sheet with id= 5, first strand: chain 'E' and resid 2 through 4 Processing sheet with id= 6, first strand: chain 'F' and resid 2 through 4 Processing sheet with id= 7, first strand: chain 'G' and resid 2 through 4 Processing sheet with id= 8, first strand: chain 'H' and resid 2 through 4 Processing sheet with id= 9, first strand: chain 'I' and resid 2 through 4 Processing sheet with id= 10, first strand: chain 'J' and resid 2 through 4 Processing sheet with id= 11, first strand: chain 'K' and resid 2 through 4 Processing sheet with id= 12, first strand: chain 'L' and resid 2 through 4 Processing sheet with id= 13, first strand: chain 'M' and resid 2 through 4 Processing sheet with id= 14, first strand: chain 'N' and resid 2 through 4 Processing sheet with id= 15, first strand: chain 'O' and resid 2 through 4 Processing sheet with id= 16, first strand: chain 'P' and resid 2 through 4 Processing sheet with id= 17, first strand: chain 'Q' and resid 2 through 4 Processing sheet with id= 18, first strand: chain 'R' and resid 2 through 4 Processing sheet with id= 19, first strand: chain 'S' and resid 2 through 4 Processing sheet with id= 20, first strand: chain 'T' and resid 2 through 4 Processing sheet with id= 21, first strand: chain 'U' and resid 2 through 4 Processing sheet with id= 22, first strand: chain 'V' and resid 2 through 4 Processing sheet with id= 23, first strand: chain 'W' and resid 2 through 4 Processing sheet with id= 24, first strand: chain 'X' and resid 2 through 4 Processing sheet with id= 25, first strand: chain 'Y' and resid 2 through 4 Processing sheet with id= 26, first strand: chain 'Z' and resid 2 through 4 Processing sheet with id= 27, first strand: chain '0' and resid 2 through 4 Processing sheet with id= 28, first strand: chain '1' and resid 2 through 4 Processing sheet with id= 29, first strand: chain '2' and resid 2 through 4 Processing sheet with id= 30, first strand: chain '3' and resid 2 through 4 Processing sheet with id= 31, first strand: chain '4' and resid 2 through 4 Processing sheet with id= 32, first strand: chain '5' and resid 2 through 4 Processing sheet with id= 33, first strand: chain '6' and resid 2 through 4 Processing sheet with id= 34, first strand: chain '7' and resid 2 through 4 Processing sheet with id= 35, first strand: chain '8' and resid 2 through 4 Processing sheet with id= 36, first strand: chain '9' and resid 2 through 4 Processing sheet with id= 37, first strand: chain 'a' and resid 2 through 4 Processing sheet with id= 38, first strand: chain 'b' and resid 2 through 4 Processing sheet with id= 39, first strand: chain 'c' and resid 2 through 4 Processing sheet with id= 40, first strand: chain 'd' and resid 2 through 4 Processing sheet with id= 41, first strand: chain 'e' and resid 2 through 4 Processing sheet with id= 42, first strand: chain 'f' and resid 2 through 4 Processing sheet with id= 43, first strand: chain 'g' and resid 2 through 4 Processing sheet with id= 44, first strand: chain 'h' and resid 2 through 4 Processing sheet with id= 45, first strand: chain 'i' and resid 2 through 4 Processing sheet with id= 46, first strand: chain 'j' and resid 2 through 4 Processing sheet with id= 47, first strand: chain 'k' and resid 2 through 4 Processing sheet with id= 48, first strand: chain 'l' and resid 2 through 4 Processing sheet with id= 49, first strand: chain 'm' and resid 2 through 4 Processing sheet with id= 50, first strand: chain 'n' and resid 2 through 4 Processing sheet with id= 51, first strand: chain 'o' and resid 2 through 4 Processing sheet with id= 52, first strand: chain 'p' and resid 2 through 4 Processing sheet with id= 53, first strand: chain 'q' and resid 2 through 4 Processing sheet with id= 54, first strand: chain 'r' and resid 2 through 4 Processing sheet with id= 55, first strand: chain 's' and resid 2 through 4 Processing sheet with id= 56, first strand: chain 't' and resid 2 through 4 Processing sheet with id= 57, first strand: chain 'u' and resid 2 through 4 Processing sheet with id= 58, first strand: chain 'v' and resid 2 through 4 Processing sheet with id= 59, first strand: chain 'w' and resid 2 through 4 Processing sheet with id= 60, first strand: chain 'x' and resid 2 through 4 4680 hydrogen bonds defined for protein. 14040 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: 47.22 Time building geometry restraints manager: 33.74 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.19 - 1.31: 18815 1.31 - 1.44: 26129 1.44 - 1.56: 60414 1.56 - 1.68: 62 1.68 - 1.80: 840 Bond restraints: 106260 Sorted by residual: bond pdb=" C ARG 1 138 " pdb=" O ARG 1 138 " ideal model delta sigma weight residual 1.237 1.190 0.046 1.17e-02 7.31e+03 1.58e+01 bond pdb=" C ARG X 138 " pdb=" O ARG X 138 " ideal model delta sigma weight residual 1.237 1.190 0.046 1.17e-02 7.31e+03 1.58e+01 bond pdb=" C ARG N 138 " pdb=" O ARG N 138 " ideal model delta sigma weight residual 1.237 1.190 0.046 1.17e-02 7.31e+03 1.58e+01 bond pdb=" C ARG m 138 " pdb=" O ARG m 138 " ideal model delta sigma weight residual 1.237 1.190 0.046 1.17e-02 7.31e+03 1.57e+01 bond pdb=" C ARG k 138 " pdb=" O ARG k 138 " ideal model delta sigma weight residual 1.237 1.190 0.046 1.17e-02 7.31e+03 1.57e+01 ... (remaining 106255 not shown) Histogram of bond angle deviations from ideal: 99.57 - 106.50: 4200 106.50 - 113.42: 54795 113.42 - 120.35: 42782 120.35 - 127.27: 40256 127.27 - 134.20: 1727 Bond angle restraints: 143760 Sorted by residual: angle pdb=" N SER o 153 " pdb=" CA SER o 153 " pdb=" C SER o 153 " ideal model delta sigma weight residual 110.52 121.86 -11.34 1.48e+00 4.57e-01 5.87e+01 angle pdb=" N SER c 153 " pdb=" CA SER c 153 " pdb=" C SER c 153 " ideal model delta sigma weight residual 110.52 121.86 -11.34 1.48e+00 4.57e-01 5.87e+01 angle pdb=" N SER n 153 " pdb=" CA SER n 153 " pdb=" C SER n 153 " ideal model delta sigma weight residual 110.52 121.86 -11.34 1.48e+00 4.57e-01 5.87e+01 angle pdb=" N SER v 153 " pdb=" CA SER v 153 " pdb=" C SER v 153 " ideal model delta sigma weight residual 110.52 121.86 -11.34 1.48e+00 4.57e-01 5.87e+01 angle pdb=" N SER T 153 " pdb=" CA SER T 153 " pdb=" C SER T 153 " ideal model delta sigma weight residual 110.52 121.85 -11.33 1.48e+00 4.57e-01 5.86e+01 ... (remaining 143755 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 12.03: 55233 12.03 - 24.07: 7100 24.07 - 36.10: 2107 36.10 - 48.13: 646 48.13 - 60.17: 314 Dihedral angle restraints: 65400 sinusoidal: 26700 harmonic: 38700 Sorted by residual: dihedral pdb=" CA SER x 27 " pdb=" C SER x 27 " pdb=" N PHE x 28 " pdb=" CA PHE x 28 " ideal model delta harmonic sigma weight residual 180.00 164.38 15.62 0 5.00e+00 4.00e-02 9.76e+00 dihedral pdb=" CA SER O 27 " pdb=" C SER O 27 " pdb=" N PHE O 28 " pdb=" CA PHE O 28 " ideal model delta harmonic sigma weight residual 180.00 164.38 15.62 0 5.00e+00 4.00e-02 9.76e+00 dihedral pdb=" CA SER j 27 " pdb=" C SER j 27 " pdb=" N PHE j 28 " pdb=" CA PHE j 28 " ideal model delta harmonic sigma weight residual 180.00 164.38 15.62 0 5.00e+00 4.00e-02 9.76e+00 ... (remaining 65397 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.064: 9337 0.064 - 0.127: 4612 0.127 - 0.191: 1117 0.191 - 0.254: 414 0.254 - 0.318: 60 Chirality restraints: 15540 Sorted by residual: chirality pdb=" CA SER n 153 " pdb=" N SER n 153 " pdb=" C SER n 153 " pdb=" CB SER n 153 " both_signs ideal model delta sigma weight residual False 2.51 2.19 0.32 2.00e-01 2.50e+01 2.52e+00 chirality pdb=" CA SER j 153 " pdb=" N SER j 153 " pdb=" C SER j 153 " pdb=" CB SER j 153 " both_signs ideal model delta sigma weight residual False 2.51 2.19 0.32 2.00e-01 2.50e+01 2.52e+00 chirality pdb=" CA SER F 153 " pdb=" N SER F 153 " pdb=" C SER F 153 " pdb=" CB SER F 153 " both_signs ideal model delta sigma weight residual False 2.51 2.19 0.32 2.00e-01 2.50e+01 2.52e+00 ... (remaining 15537 not shown) Planarity restraints: 18780 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CA ARG m 97 " 0.013 2.00e-02 2.50e+03 2.65e-02 7.00e+00 pdb=" C ARG m 97 " -0.046 2.00e-02 2.50e+03 pdb=" O ARG m 97 " 0.017 2.00e-02 2.50e+03 pdb=" N ARG m 98 " 0.016 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA ARG b 97 " 0.013 2.00e-02 2.50e+03 2.64e-02 6.98e+00 pdb=" C ARG b 97 " -0.046 2.00e-02 2.50e+03 pdb=" O ARG b 97 " 0.017 2.00e-02 2.50e+03 pdb=" N ARG b 98 " 0.016 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA ARG M 97 " 0.013 2.00e-02 2.50e+03 2.64e-02 6.95e+00 pdb=" C ARG M 97 " -0.046 2.00e-02 2.50e+03 pdb=" O ARG M 97 " 0.017 2.00e-02 2.50e+03 pdb=" N ARG M 98 " 0.016 2.00e-02 2.50e+03 ... (remaining 18777 not shown) Histogram of nonbonded interaction distances: 1.23 - 1.96: 300 1.96 - 2.70: 4122 2.70 - 3.43: 137692 3.43 - 4.17: 236823 4.17 - 4.90: 427458 Nonbonded interactions: 806395 Sorted by model distance: nonbonded pdb=" OE1 GLU 5 94 " pdb=" NH1 ARG 5 97 " model vdw 1.227 2.520 nonbonded pdb=" OE1 GLU W 94 " pdb=" NH1 ARG W 97 " model vdw 1.227 2.520 nonbonded pdb=" OE1 GLU P 94 " pdb=" NH1 ARG P 97 " model vdw 1.228 2.520 nonbonded pdb=" OE1 GLU e 94 " pdb=" NH1 ARG e 97 " model vdw 1.228 2.520 nonbonded pdb=" OE1 GLU B 94 " pdb=" NH1 ARG B 97 " model vdw 1.228 2.520 ... (remaining 806390 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 '0' selection = chain '1' selection = chain '2' selection = chain '3' selection = chain '4' selection = chain '5' selection = chain '6' selection = chain '7' selection = chain '8' selection = chain '9' selection = chain 'A' selection = chain 'B' selection = chain 'C' selection = chain 'D' selection = chain 'E' selection = chain 'F' selection = chain 'G' selection = chain 'H' selection = chain 'I' selection = chain 'J' selection = chain 'K' selection = chain 'L' selection = chain 'M' selection = chain 'N' selection = chain 'O' selection = chain 'P' selection = chain 'Q' selection = chain 'R' selection = chain 'S' selection = chain 'T' selection = chain 'U' selection = chain 'V' selection = chain 'W' selection = chain 'X' selection = chain 'Y' selection = chain 'Z' selection = chain 'a' selection = chain 'b' selection = chain 'c' selection = chain 'd' selection = chain 'e' selection = chain 'f' selection = chain 'g' selection = chain 'h' selection = chain 'i' selection = chain 'j' selection = chain 'k' selection = chain 'l' selection = chain 'm' selection = chain 'n' selection = chain 'o' selection = chain 'p' selection = chain 'q' selection = chain 'r' selection = chain 's' selection = chain 't' selection = chain 'u' selection = chain 'v' selection = chain 'w' selection = chain 'x' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 540 5.16 5 C 65700 2.51 5 N 18300 2.21 5 O 19560 1.98 5 sf(0) = scattering factor at diffraction angle 0. 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 individual isotropic Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 11.230 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.000 Construct map_model_manager: 0.060 Extract box with map and model: 47.690 Check model and map are aligned: 1.150 Convert atoms to be neutral: 0.660 Process input model: 215.830 Find NCS groups from input model: 5.880 Set up NCS constraints: 1.380 Set refine NCS operators: 0.000 Set scattering table: 0.040 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.020 Load rotamer database and sin/cos tables:13.130 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 297.070 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.4694 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 : 0.016 0.135 106260 Z= 1.014 Angle : 1.232 11.339 143760 Z= 0.765 Chirality : 0.079 0.318 15540 Planarity : 0.008 0.049 18780 Dihedral : 12.905 60.166 40320 Min Nonbonded Distance : 1.227 Molprobity Statistics. All-atom Clashscore : 9.87 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.21 % Favored : 96.79 % Rotamer Outliers : 0.54 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 7.14 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -4.66 (0.05), residues: 13080 helix: -3.36 (0.04), residues: 8280 sheet: None (None), residues: 0 loop : -2.19 (0.07), residues: 4800 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26160 Ramachandran restraints generated. 13080 Oldfield, 0 Emsley, 13080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26160 Ramachandran restraints generated. 13080 Oldfield, 0 Emsley, 13080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2829 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 60 poor density : 2769 time to evaluate : 9.597 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 outliers start: 60 outliers final: 15 residues processed: 2806 average time/residue: 1.6036 time to fit residues: 6268.7933 Evaluate side-chains 1610 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 15 poor density : 1595 time to evaluate : 8.663 Switching outliers to nearest non-outliers outliers start: 15 outliers final: 11 residues processed: 6 average time/residue: 1.6035 time to fit residues: 25.8981 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1320 random chunks: chunk 1114 optimal weight: 1.9990 chunk 1000 optimal weight: 4.9990 chunk 555 optimal weight: 0.5980 chunk 341 optimal weight: 6.9990 chunk 674 optimal weight: 0.7980 chunk 534 optimal weight: 0.9980 chunk 1034 optimal weight: 8.9990 chunk 400 optimal weight: 0.7980 chunk 629 optimal weight: 0.4980 chunk 770 optimal weight: 10.0000 chunk 1198 optimal weight: 1.9990 overall best weight: 0.7380 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: C 149 GLN E 46 ASN E 107 ASN ** E 159 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 107 ASN F 125 GLN G 59 HIS G 177 GLN H 42 GLN H 46 ASN H 107 ASN H 119 ASN H 126 GLN ** J 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 125 GLN ** K 159 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 107 ASN L 163 GLN N 119 ASN N 181 GLN O 112 GLN Q 59 HIS Q 119 ASN Q 131 ASN R 125 GLN S 112 GLN T 107 ASN T 125 GLN U 112 GLN V 119 ASN V 125 GLN ** V 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 46 ASN W 59 HIS ** W 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 46 ASN X 59 HIS X 107 ASN Y 46 ASN Z 46 ASN Z 107 ASN Z 119 ASN Z 163 GLN Z 177 GLN 1 59 HIS 1 107 ASN ** 1 131 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 46 ASN 3 107 ASN 3 125 GLN 3 131 ASN 4 107 ASN 4 125 GLN ** 8 149 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 201 ASN 9 149 GLN a 149 GLN a 181 GLN a 201 ASN b 46 ASN b 112 GLN ** c 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 59 HIS d 107 ASN d 119 ASN d 126 GLN f 59 HIS h 112 GLN ** h 149 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 159 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 107 ASN i 131 ASN j 59 HIS j 107 ASN ** k 159 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 201 ASN l 46 ASN l 107 ASN l 112 GLN l 149 GLN n 59 HIS n 125 GLN o 46 ASN o 107 ASN o 125 GLN q 46 ASN q 119 ASN q 159 ASN r 46 ASN r 107 ASN ** s 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 159 ASN t 107 ASN u 125 GLN v 59 HIS v 112 GLN v 149 GLN w 59 HIS w 80 GLN x 112 GLN ** x 159 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 88 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6211 moved from start: 0.5176 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.105 106260 Z= 0.280 Angle : 0.756 14.073 143760 Z= 0.392 Chirality : 0.046 0.253 15540 Planarity : 0.007 0.108 18780 Dihedral : 4.570 20.806 14280 Min Nonbonded Distance : 2.115 Molprobity Statistics. All-atom Clashscore : 7.71 Ramachandran Plot: Outliers : 0.01 % Allowed : 2.40 % Favored : 97.59 % Rotamer Outliers : 3.92 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 7.14 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.82 (0.06), residues: 13080 helix: -1.49 (0.05), residues: 8520 sheet: None (None), residues: 0 loop : -2.38 (0.07), residues: 4560 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26160 Ramachandran restraints generated. 13080 Oldfield, 0 Emsley, 13080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26160 Ramachandran restraints generated. 13080 Oldfield, 0 Emsley, 13080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3012 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 438 poor density : 2574 time to evaluate : 9.001 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 outliers start: 438 outliers final: 95 residues processed: 2794 average time/residue: 1.6645 time to fit residues: 6501.5558 Evaluate side-chains 2010 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 95 poor density : 1915 time to evaluate : 8.923 Switching outliers to nearest non-outliers outliers start: 95 outliers final: 62 residues processed: 36 average time/residue: 0.9341 time to fit residues: 70.0824 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1320 random chunks: chunk 666 optimal weight: 1.9990 chunk 372 optimal weight: 0.9980 chunk 997 optimal weight: 0.9990 chunk 816 optimal weight: 2.9990 chunk 330 optimal weight: 20.0000 chunk 1200 optimal weight: 0.8980 chunk 1297 optimal weight: 2.9990 chunk 1069 optimal weight: 0.0000 chunk 1190 optimal weight: 2.9990 chunk 409 optimal weight: 0.9990 chunk 963 optimal weight: 3.9990 overall best weight: 0.7788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 107 ASN B 119 ASN C 46 ASN C 59 HIS ** C 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 201 ASN ** E 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 119 ASN G 107 ASN G 201 ASN H 46 ASN H 99 ASN H 149 GLN I 107 ASN ** I 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 203 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 159 ASN J 181 GLN J 201 ASN ** K 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 107 ASN ** K 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 46 ASN ** L 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 119 ASN M 107 ASN N 42 GLN N 46 ASN N 95 GLN N 107 ASN ** O 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 107 ASN P 119 ASN P 207 GLN Q 46 ASN Q 95 GLN Q 107 ASN R 46 ASN R 107 ASN R 119 ASN S 46 ASN S 95 GLN ** S 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 46 ASN U 59 HIS U 107 ASN V 46 ASN V 95 GLN V 107 ASN V 201 ASN W 95 GLN W 107 ASN ** W 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 181 GLN X 95 GLN X 119 ASN ** Y 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 95 GLN 0 107 ASN ** 1 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 131 ASN 2 59 HIS 2 95 GLN 2 107 ASN 2 112 GLN ** 3 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 119 ASN 3 125 GLN 6 93 GLN 6 181 GLN ** 7 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 42 GLN 8 149 GLN 9 149 GLN ** a 149 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 107 ASN ** c 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 42 GLN e 159 ASN f 59 HIS f 149 GLN g 99 ASN ** h 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 107 ASN ** i 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 119 ASN i 149 GLN j 42 GLN j 59 HIS ** j 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 112 GLN ** j 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 207 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 107 ASN k 119 ASN l 46 ASN l 59 HIS l 112 GLN ** l 149 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 46 ASN ** n 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 107 ASN ** n 159 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 119 ASN o 201 ASN p 107 ASN q 42 GLN q 159 ASN ** r 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 201 ASN t 201 ASN ** u 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 107 ASN u 159 ASN v 112 GLN v 201 ASN w 59 HIS w 201 ASN x 112 GLN Total number of N/Q/H flips: 93 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7303 moved from start: 0.8088 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.143 106260 Z= 0.271 Angle : 0.728 18.312 143760 Z= 0.371 Chirality : 0.045 0.271 15540 Planarity : 0.006 0.094 18780 Dihedral : 4.215 22.084 14280 Min Nonbonded Distance : 2.043 Molprobity Statistics. All-atom Clashscore : 7.09 Ramachandran Plot: Outliers : 0.05 % Allowed : 2.26 % Favored : 97.68 % Rotamer Outliers : 4.13 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 7.14 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.43 (0.07), residues: 13080 helix: -0.39 (0.05), residues: 8520 sheet: -0.28 (0.24), residues: 480 loop : -2.06 (0.08), residues: 4080 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26160 Ramachandran restraints generated. 13080 Oldfield, 0 Emsley, 13080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26160 Ramachandran restraints generated. 13080 Oldfield, 0 Emsley, 13080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3287 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 461 poor density : 2826 time to evaluate : 9.195 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 outliers start: 461 outliers final: 110 residues processed: 3062 average time/residue: 1.7958 time to fit residues: 7508.3367 Evaluate side-chains 2206 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 110 poor density : 2096 time to evaluate : 8.783 Switching outliers to nearest non-outliers outliers start: 110 outliers final: 82 residues processed: 31 average time/residue: 1.1814 time to fit residues: 69.0224 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1320 random chunks: chunk 1186 optimal weight: 4.9990 chunk 902 optimal weight: 20.0000 chunk 623 optimal weight: 2.9990 chunk 132 optimal weight: 9.9990 chunk 573 optimal weight: 5.9990 chunk 806 optimal weight: 3.9990 chunk 1205 optimal weight: 3.9990 chunk 1275 optimal weight: 0.7980 chunk 629 optimal weight: 0.8980 chunk 1142 optimal weight: 9.9990 chunk 343 optimal weight: 2.9990 overall best weight: 2.3386 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 201 ASN B 201 ASN C 112 GLN D 201 ASN E 46 ASN ** E 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 159 ASN I 201 ASN J 93 GLN ** J 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 159 ASN ** L 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 163 GLN ** M 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 112 GLN N 80 GLN ** N 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 119 ASN ** N 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 119 ASN ** Q 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 119 ASN ** Q 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 159 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 46 ASN ** W 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 95 GLN X 136 GLN ** X 159 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 201 ASN ** Y 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 125 GLN Z 126 GLN ** Z 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 46 ASN ** 1 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 59 HIS 3 131 ASN ** 3 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 159 ASN 4 201 ASN ** 5 112 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 93 GLN 6 181 GLN ** 7 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 181 GLN 7 201 ASN 8 93 GLN ** 9 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 9 149 GLN a 149 GLN b 107 ASN b 177 GLN c 93 GLN ** c 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 201 ASN d 42 GLN ** d 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 126 GLN f 201 ASN g 99 ASN ** h 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 149 GLN i 201 ASN j 80 GLN k 42 GLN ** k 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 46 ASN l 112 GLN ** l 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 149 GLN ** n 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 149 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 112 GLN q 42 GLN q 46 ASN q 112 GLN q 125 GLN r 149 GLN ** s 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 201 ASN t 201 ASN ** u 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 159 ASN v 107 ASN ** x 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 58 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7996 moved from start: 1.1706 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 0.146 106260 Z= 0.363 Angle : 0.777 14.993 143760 Z= 0.403 Chirality : 0.049 0.267 15540 Planarity : 0.006 0.068 18780 Dihedral : 4.825 20.257 14280 Min Nonbonded Distance : 1.949 Molprobity Statistics. All-atom Clashscore : 7.66 Ramachandran Plot: Outliers : 0.35 % Allowed : 2.18 % Favored : 97.47 % Rotamer Outliers : 3.80 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 7.14 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.45 (0.07), residues: 13080 helix: -0.42 (0.05), residues: 8460 sheet: -0.27 (0.24), residues: 480 loop : -2.01 (0.08), residues: 4140 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26160 Ramachandran restraints generated. 13080 Oldfield, 0 Emsley, 13080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26160 Ramachandran restraints generated. 13080 Oldfield, 0 Emsley, 13080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3350 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 424 poor density : 2926 time to evaluate : 9.607 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 outliers start: 424 outliers final: 97 residues processed: 3156 average time/residue: 1.7492 time to fit residues: 7464.3435 Evaluate side-chains 2422 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 97 poor density : 2325 time to evaluate : 8.055 Switching outliers to nearest non-outliers outliers start: 97 outliers final: 70 residues processed: 29 average time/residue: 0.8571 time to fit residues: 52.0540 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1320 random chunks: chunk 1062 optimal weight: 0.6980 chunk 724 optimal weight: 7.9990 chunk 18 optimal weight: 7.9990 chunk 950 optimal weight: 0.9990 chunk 526 optimal weight: 0.0370 chunk 1088 optimal weight: 6.9990 chunk 881 optimal weight: 0.6980 chunk 1 optimal weight: 1.9990 chunk 651 optimal weight: 0.0010 chunk 1145 optimal weight: 3.9990 chunk 321 optimal weight: 0.9980 overall best weight: 0.4864 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 93 GLN A 201 ASN B 119 ASN D 42 GLN ** F 159 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 95 GLN ** H 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 126 GLN ** J 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 159 ASN L 95 GLN M 95 GLN M 201 ASN ** N 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 159 ASN P 93 GLN Q 46 ASN Q 93 GLN ** Q 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 159 ASN R 159 ASN R 207 GLN T 95 GLN T 159 ASN T 181 GLN T 207 GLN U 46 ASN U 95 GLN ** U 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 159 ASN X 46 ASN Z 125 GLN Z 126 GLN 0 95 GLN 0 207 GLN ** 1 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 201 ASN 2 207 GLN 3 93 GLN ** 3 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 95 GLN 4 159 ASN 6 181 GLN 7 93 GLN ** 7 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 149 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 9 93 GLN 9 149 GLN b 119 ASN ** c 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 201 ASN ** d 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 103 ASN d 126 GLN ** g 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 181 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 42 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 46 ASN h 201 ASN ** i 181 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 46 ASN k 159 ASN l 181 GLN ** l 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 46 ASN ** n 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 159 ASN n 207 GLN o 95 GLN r 177 GLN r 181 GLN ** s 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 119 ASN ** v 181 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 95 GLN Total number of N/Q/H flips: 55 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7963 moved from start: 1.1912 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.087 106260 Z= 0.172 Angle : 0.586 11.417 143760 Z= 0.302 Chirality : 0.041 0.173 15540 Planarity : 0.005 0.062 18780 Dihedral : 4.073 18.326 14280 Min Nonbonded Distance : 2.158 Molprobity Statistics. All-atom Clashscore : 6.96 Ramachandran Plot: Outliers : 0.00 % Allowed : 1.99 % Favored : 98.01 % Rotamer Outliers : 2.34 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 7.14 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.54 (0.07), residues: 13080 helix: 0.35 (0.06), residues: 8460 sheet: -0.07 (0.24), residues: 480 loop : -1.77 (0.08), residues: 4140 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26160 Ramachandran restraints generated. 13080 Oldfield, 0 Emsley, 13080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26160 Ramachandran restraints generated. 13080 Oldfield, 0 Emsley, 13080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2844 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 261 poor density : 2583 time to evaluate : 9.044 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 outliers start: 261 outliers final: 90 residues processed: 2739 average time/residue: 1.7031 time to fit residues: 6301.6450 Evaluate side-chains 2358 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 90 poor density : 2268 time to evaluate : 8.966 Switching outliers to nearest non-outliers outliers start: 90 outliers final: 65 residues processed: 25 average time/residue: 1.0323 time to fit residues: 53.7668 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1320 random chunks: chunk 429 optimal weight: 9.9990 chunk 1149 optimal weight: 0.6980 chunk 252 optimal weight: 6.9990 chunk 749 optimal weight: 9.9990 chunk 314 optimal weight: 2.9990 chunk 1277 optimal weight: 6.9990 chunk 1060 optimal weight: 9.9990 chunk 591 optimal weight: 2.9990 chunk 106 optimal weight: 0.7980 chunk 422 optimal weight: 9.9990 chunk 670 optimal weight: 6.9990 overall best weight: 2.8986 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 93 GLN C 46 ASN C 107 ASN D 42 GLN D 201 ASN ** E 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 201 ASN ** H 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 159 ASN I 201 ASN J 93 GLN ** J 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 159 ASN ** K 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 46 ASN L 95 GLN ** M 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 119 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 93 GLN O 107 ASN ** O 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 149 GLN P 93 GLN ** P 159 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 159 ASN ** R 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 159 ASN ** S 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 107 ASN ** S 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 159 ASN T 181 GLN ** U 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 149 GLN ** U 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 46 ASN V 201 ASN ** W 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 107 ASN Y 159 ASN ** Z 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 159 ASN ** 0 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 93 GLN ** 1 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 149 GLN 2 207 GLN ** 3 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 181 GLN 4 95 GLN ** 4 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 136 GLN 4 159 ASN 4 201 ASN ** 5 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 93 GLN ** 7 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 9 149 GLN ** a 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 42 GLN ** d 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 126 GLN d 159 ASN ** e 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 181 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 42 GLN ** h 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 201 ASN ** i 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 159 ASN j 136 GLN j 201 ASN ** k 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 159 ASN l 119 ASN ** l 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 93 GLN ** n 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 159 ASN ** o 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 95 GLN p 119 ASN p 207 GLN s 112 GLN ** s 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 159 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 177 GLN Total number of N/Q/H flips: 54 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8139 moved from start: 1.2667 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 0.144 106260 Z= 0.407 Angle : 0.724 15.741 143760 Z= 0.379 Chirality : 0.048 0.209 15540 Planarity : 0.005 0.103 18780 Dihedral : 4.564 19.714 14280 Min Nonbonded Distance : 2.094 Molprobity Statistics. All-atom Clashscore : 7.34 Ramachandran Plot: Outliers : 0.44 % Allowed : 2.14 % Favored : 97.42 % Rotamer Outliers : 3.10 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 7.14 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.07 (0.07), residues: 13080 helix: -0.13 (0.05), residues: 8640 sheet: 0.00 (0.24), residues: 480 loop : -1.92 (0.09), residues: 3960 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26160 Ramachandran restraints generated. 13080 Oldfield, 0 Emsley, 13080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26160 Ramachandran restraints generated. 13080 Oldfield, 0 Emsley, 13080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2887 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 346 poor density : 2541 time to evaluate : 8.129 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 outliers start: 346 outliers final: 154 residues processed: 2730 average time/residue: 1.5940 time to fit residues: 5881.3340 Evaluate side-chains 2382 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 154 poor density : 2228 time to evaluate : 7.486 Switching outliers to nearest non-outliers outliers start: 154 outliers final: 106 residues processed: 50 average time/residue: 0.7252 time to fit residues: 74.2722 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1320 random chunks: chunk 1231 optimal weight: 2.9990 chunk 143 optimal weight: 10.0000 chunk 727 optimal weight: 0.9990 chunk 932 optimal weight: 5.9990 chunk 722 optimal weight: 6.9990 chunk 1075 optimal weight: 0.8980 chunk 713 optimal weight: 5.9990 chunk 1272 optimal weight: 4.9990 chunk 796 optimal weight: 7.9990 chunk 775 optimal weight: 0.9980 chunk 587 optimal weight: 0.1980 overall best weight: 1.2184 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** B 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 149 GLN C 181 GLN D 201 ASN E 93 GLN ** E 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 159 ASN I 93 GLN ** J 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 159 ASN J 201 ASN ** K 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 201 ASN M 95 GLN M 136 GLN ** N 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 126 GLN ** N 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 93 GLN ** O 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 149 GLN ** P 159 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 201 ASN Q 42 GLN ** Q 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 159 ASN ** R 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 93 GLN S 95 GLN S 136 GLN T 95 GLN T 126 GLN T 136 GLN ** U 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 159 ASN X 201 ASN Y 159 ASN Y 201 ASN ** Z 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 95 GLN 0 136 GLN ** 1 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 93 GLN 2 95 GLN 2 119 ASN 3 93 GLN ** 3 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 126 GLN 4 159 ASN 5 42 GLN ** 5 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 181 GLN ** 7 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 42 GLN 9 149 GLN ** a 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 46 ASN b 95 GLN ** c 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 181 GLN ** d 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 126 GLN g 93 GLN ** g 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 181 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 95 GLN ** i 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 181 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 201 ASN k 159 ASN l 93 GLN ** l 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 93 GLN ** n 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 159 ASN ** o 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 125 GLN ** o 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 42 GLN r 46 ASN ** r 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 112 GLN ** s 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 181 GLN w 93 GLN ** w 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 56 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8095 moved from start: 1.2847 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.193 106260 Z= 0.241 Angle : 0.623 14.666 143760 Z= 0.332 Chirality : 0.043 0.195 15540 Planarity : 0.005 0.085 18780 Dihedral : 4.118 18.491 14280 Min Nonbonded Distance : 2.141 Molprobity Statistics. All-atom Clashscore : 7.05 Ramachandran Plot: Outliers : 0.02 % Allowed : 2.47 % Favored : 97.51 % Rotamer Outliers : 2.38 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 7.14 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.44 (0.07), residues: 13080 helix: 0.44 (0.06), residues: 8460 sheet: 0.18 (0.24), residues: 480 loop : -1.78 (0.09), residues: 4140 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26160 Ramachandran restraints generated. 13080 Oldfield, 0 Emsley, 13080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26160 Ramachandran restraints generated. 13080 Oldfield, 0 Emsley, 13080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2650 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 266 poor density : 2384 time to evaluate : 7.615 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 outliers start: 266 outliers final: 150 residues processed: 2548 average time/residue: 1.5590 time to fit residues: 5363.6409 Evaluate side-chains 2353 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 150 poor density : 2203 time to evaluate : 7.526 Switching outliers to nearest non-outliers outliers start: 150 outliers final: 108 residues processed: 43 average time/residue: 0.6933 time to fit residues: 63.0868 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1320 random chunks: chunk 787 optimal weight: 6.9990 chunk 508 optimal weight: 2.9990 chunk 759 optimal weight: 10.0000 chunk 383 optimal weight: 6.9990 chunk 249 optimal weight: 0.9980 chunk 246 optimal weight: 0.4980 chunk 808 optimal weight: 3.9990 chunk 866 optimal weight: 2.9990 chunk 629 optimal weight: 3.9990 chunk 118 optimal weight: 7.9990 chunk 1000 optimal weight: 7.9990 overall best weight: 2.2986 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** B 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 93 GLN ** E 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 119 ASN ** G 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 159 ASN J 93 GLN ** J 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 159 ASN ** K 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 159 ASN O 93 GLN ** O 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 93 GLN ** P 159 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 159 ASN ** R 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 126 GLN ** U 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 93 GLN ** W 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 159 ASN X 95 GLN X 136 GLN ** X 159 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 159 ASN ** Z 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 159 ASN ** 1 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 93 GLN 3 93 GLN ** 3 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 159 ASN ** 4 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 42 GLN ** 9 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 9 149 GLN ** a 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 201 ASN ** g 181 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 159 ASN ** l 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 93 GLN ** n 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 159 ASN ** o 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 42 GLN ** q 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 26 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8146 moved from start: 1.3058 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 0.527 106260 Z= 0.401 Angle : 0.740 53.735 143760 Z= 0.407 Chirality : 0.046 0.255 15540 Planarity : 0.005 0.083 18780 Dihedral : 4.291 19.395 14280 Min Nonbonded Distance : 2.136 Molprobity Statistics. All-atom Clashscore : 6.99 Ramachandran Plot: Outliers : 0.18 % Allowed : 2.49 % Favored : 97.33 % Rotamer Outliers : 2.46 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 7.14 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.68 (0.07), residues: 13080 helix: 0.27 (0.05), residues: 8520 sheet: 0.28 (0.24), residues: 480 loop : -2.00 (0.08), residues: 4080 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26160 Ramachandran restraints generated. 13080 Oldfield, 0 Emsley, 13080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26160 Ramachandran restraints generated. 13080 Oldfield, 0 Emsley, 13080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2610 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 275 poor density : 2335 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 outliers start: 275 outliers final: 163 residues processed: 2476 average time/residue: 1.5391 time to fit residues: 5126.7004 Evaluate side-chains 2366 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 163 poor density : 2203 time to evaluate : 7.493 Switching outliers to nearest non-outliers outliers start: 163 outliers final: 101 residues processed: 63 average time/residue: 0.7504 time to fit residues: 90.4791 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1320 random chunks: chunk 1157 optimal weight: 0.9990 chunk 1218 optimal weight: 2.9990 chunk 1112 optimal weight: 0.7980 chunk 1185 optimal weight: 1.9990 chunk 713 optimal weight: 5.9990 chunk 516 optimal weight: 0.8980 chunk 930 optimal weight: 0.9980 chunk 363 optimal weight: 6.9990 chunk 1071 optimal weight: 0.8980 chunk 1121 optimal weight: 2.9990 chunk 1181 optimal weight: 0.9990 overall best weight: 0.9182 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** B 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 201 ASN C 181 GLN C 207 GLN ** G 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 201 ASN ** H 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 159 ASN ** J 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 159 ASN ** K 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 201 ASN ** N 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 159 ASN ** O 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 159 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 159 ASN ** R 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 201 ASN ** W 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 95 GLN X 136 GLN ** X 159 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 159 ASN Z 201 ASN ** 1 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 93 GLN 2 119 ASN 2 159 ASN ** 2 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 93 GLN ** 3 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 181 GLN ** 7 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 42 GLN ** 9 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 9 149 GLN ** a 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 159 ASN ** a 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 119 ASN ** c 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 42 GLN ** g 181 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 159 ASN ** l 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 159 ASN ** m 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 159 ASN ** o 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 42 GLN ** p 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 159 ASN ** s 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 29 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8139 moved from start: 1.3076 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.008 0.651 106260 Z= 0.516 Angle : 0.883 74.600 143760 Z= 0.479 Chirality : 0.043 0.330 15540 Planarity : 0.005 0.116 18780 Dihedral : 4.276 18.851 14280 Min Nonbonded Distance : 1.969 Molprobity Statistics. All-atom Clashscore : 8.73 Ramachandran Plot: Outliers : 0.41 % Allowed : 2.29 % Favored : 97.30 % Rotamer Outliers : 1.68 % Cbeta Deviations : 0.02 % Peptide Plane: Cis-proline : 7.14 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.63 (0.07), residues: 13080 helix: 0.33 (0.05), residues: 8520 sheet: 0.30 (0.24), residues: 480 loop : -2.02 (0.08), residues: 4080 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26160 Ramachandran restraints generated. 13080 Oldfield, 0 Emsley, 13080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26160 Ramachandran restraints generated. 13080 Oldfield, 0 Emsley, 13080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2382 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 187 poor density : 2195 time to evaluate : 7.618 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 187 outliers final: 123 residues processed: 2325 average time/residue: 1.5702 time to fit residues: 4945.8343 Evaluate side-chains 2295 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 123 poor density : 2172 time to evaluate : 7.647 Switching outliers to nearest non-outliers outliers start: 123 outliers final: 105 residues processed: 19 average time/residue: 1.0221 time to fit residues: 41.2582 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1320 random chunks: chunk 778 optimal weight: 6.9990 chunk 1253 optimal weight: 0.8980 chunk 765 optimal weight: 0.0970 chunk 594 optimal weight: 20.0000 chunk 871 optimal weight: 0.6980 chunk 1315 optimal weight: 8.9990 chunk 1210 optimal weight: 20.0000 chunk 1047 optimal weight: 2.9990 chunk 108 optimal weight: 0.1980 chunk 808 optimal weight: 1.9990 chunk 642 optimal weight: 10.0000 overall best weight: 0.7780 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** B 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 95 GLN J 93 GLN ** J 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 159 ASN ** K 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 159 ASN ** O 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 159 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 159 ASN ** U 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 95 GLN X 136 GLN ** X 159 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 159 ASN ** 1 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 93 GLN 2 159 ASN 3 93 GLN ** 3 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 42 GLN 9 149 GLN ** a 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 159 ASN ** a 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 112 GLN ** c 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 181 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 159 ASN ** l 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 159 ASN ** m 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 125 GLN n 159 ASN ** o 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 42 GLN ** p 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 159 ASN ** s 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 21 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8129 moved from start: 1.3081 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 0.602 106260 Z= 0.494 Angle : 0.883 74.286 143760 Z= 0.475 Chirality : 0.043 0.557 15540 Planarity : 0.005 0.096 18780 Dihedral : 4.235 18.995 14280 Min Nonbonded Distance : 1.992 Molprobity Statistics. All-atom Clashscore : 7.91 Ramachandran Plot: Outliers : 0.23 % Allowed : 2.51 % Favored : 97.26 % Rotamer Outliers : 1.40 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 7.14 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.52 (0.07), residues: 13080 helix: 0.42 (0.05), residues: 8520 sheet: 0.34 (0.24), residues: 480 loop : -2.00 (0.08), residues: 4080 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 26160 Ramachandran restraints generated. 13080 Oldfield, 0 Emsley, 13080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 26160 Ramachandran restraints generated. 13080 Oldfield, 0 Emsley, 13080 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2350 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 156 poor density : 2194 time to evaluate : 7.598 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 156 outliers final: 117 residues processed: 2312 average time/residue: 1.5333 time to fit residues: 4775.6753 Evaluate side-chains 2285 residues out of total 11340 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 117 poor density : 2168 time to evaluate : 7.536 Switching outliers to nearest non-outliers outliers start: 117 outliers final: 107 residues processed: 11 average time/residue: 0.9109 time to fit residues: 26.0132 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1320 random chunks: chunk 831 optimal weight: 1.9990 chunk 1115 optimal weight: 0.7980 chunk 320 optimal weight: 0.9980 chunk 965 optimal weight: 2.9990 chunk 154 optimal weight: 20.0000 chunk 291 optimal weight: 5.9990 chunk 1048 optimal weight: 5.9990 chunk 438 optimal weight: 9.9990 chunk 1077 optimal weight: 0.8980 chunk 132 optimal weight: 20.0000 chunk 193 optimal weight: 4.9990 overall best weight: 1.5384 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** B 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 159 ASN ** H 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 93 GLN ** J 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 159 ASN ** K 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 159 ASN ** O 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 159 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 159 ASN ** R 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 95 GLN X 136 GLN ** X 159 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 159 ASN ** 1 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 93 GLN 2 119 ASN 2 159 ASN 3 93 GLN ** 3 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 125 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 8 42 GLN 9 149 GLN ** a 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 159 ASN ** a 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 119 ASN ** c 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 181 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 159 ASN ** l 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 159 ASN ** m 201 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 159 ASN ** o 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 42 GLN ** p 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 159 ASN ** s 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 95 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 136 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 21 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4166 r_free = 0.4166 target = 0.174109 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 50)----------------| | r_work = 0.3735 r_free = 0.3735 target = 0.133109 restraints weight = 139746.532| |-----------------------------------------------------------------------------| r_work (start): 0.3777 rms_B_bonded: 2.46 r_work: 0.3766 rms_B_bonded: 2.28 restraints_weight: 0.5000 r_work: 0.3757 rms_B_bonded: 2.24 restraints_weight: 0.2500 r_work: 0.3748 rms_B_bonded: 2.26 restraints_weight: 0.1250 r_work: 0.3738 rms_B_bonded: 2.33 restraints_weight: 0.0625 r_work: 0.3728 rms_B_bonded: 2.42 restraints_weight: 0.0312 r_work: 0.3717 rms_B_bonded: 2.54 restraints_weight: 0.0156 r_work: 0.3706 rms_B_bonded: 2.69 restraints_weight: 0.0078 r_work: 0.3695 rms_B_bonded: 2.86 restraints_weight: 0.0039 r_work: 0.3683 rms_B_bonded: 3.06 restraints_weight: 0.0020 r_work: 0.3670 rms_B_bonded: 3.29 restraints_weight: 0.0010 r_work: 0.3657 rms_B_bonded: 3.55 restraints_weight: 0.0005 r_work: 0.3643 rms_B_bonded: 3.85 restraints_weight: 0.0002 r_work: 0.3628 rms_B_bonded: 4.18 restraints_weight: 0.0001 r_work: 0.3612 rms_B_bonded: 4.56 restraints_weight: 0.0001 r_work: 0.3595 rms_B_bonded: 4.99 restraints_weight: 0.0000 r_work (final): 0.3595 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8162 moved from start: 1.3084 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.008 0.617 106260 Z= 0.527 Angle : 0.890 74.587 143760 Z= 0.479 Chirality : 0.044 0.524 15540 Planarity : 0.005 0.123 18780 Dihedral : 4.223 18.538 14280 Min Nonbonded Distance : 1.812 Molprobity Statistics. All-atom Clashscore : 8.36 Ramachandran Plot: Outliers : 0.24 % Allowed : 2.52 % Favored : 97.25 % Rotamer Outliers : 1.55 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 7.14 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.53 (0.07), residues: 13080 helix: 0.41 (0.05), residues: 8520 sheet: 0.35 (0.24), residues: 480 loop : -2.01 (0.08), residues: 4080 =============================================================================== Job complete usr+sys time: 67256.71 seconds wall clock time: 1147 minutes 39.44 seconds (68859.44 seconds total)