Starting phenix.real_space_refine (version: 1.21rc1) on Fri Apr 28 20:51:33 2023 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6x8t_22095/04_2023/6x8t_22095.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6x8t_22095/04_2023/6x8t_22095.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=2.9 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6x8t_22095/04_2023/6x8t_22095.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6x8t_22095/04_2023/6x8t_22095.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6x8t_22095/04_2023/6x8t_22095.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6x8t_22095/04_2023/6x8t_22095.pdb" } resolution = 2.9 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= 0.001 sd= 0.006 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 300 5.16 5 C 84960 2.51 5 N 23880 2.21 5 O 24300 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A ARG 11": "NH1" <-> "NH2" Residue "A ARG 29": "NH1" <-> "NH2" Residue "A ARG 136": "NH1" <-> "NH2" Residue "A ARG 234": "NH1" <-> "NH2" Residue "B ARG 11": "NH1" <-> "NH2" Residue "B ARG 29": "NH1" <-> "NH2" Residue "B ARG 136": "NH1" <-> "NH2" Residue "B ARG 234": "NH1" <-> "NH2" Residue "C ARG 11": "NH1" <-> "NH2" Residue "C ARG 29": "NH1" <-> "NH2" Residue "C ARG 136": "NH1" <-> "NH2" Residue "C ARG 234": "NH1" <-> "NH2" Residue "D ARG 11": "NH1" <-> "NH2" Residue "D ARG 29": "NH1" <-> "NH2" Residue "D ARG 136": "NH1" <-> "NH2" Residue "D ARG 234": "NH1" <-> "NH2" Residue "E ARG 11": "NH1" <-> "NH2" Residue "E ARG 29": "NH1" <-> "NH2" Residue "E ARG 136": "NH1" <-> "NH2" Residue "E ARG 234": "NH1" <-> "NH2" Residue "F ARG 11": "NH1" <-> "NH2" Residue "F ARG 29": "NH1" <-> "NH2" Residue "F ARG 136": "NH1" <-> "NH2" Residue "F ARG 234": "NH1" <-> "NH2" Residue "G ARG 11": "NH1" <-> "NH2" Residue "G ARG 29": "NH1" <-> "NH2" Residue "G ARG 136": "NH1" <-> "NH2" Residue "G ARG 234": "NH1" <-> "NH2" Residue "H ARG 11": "NH1" <-> "NH2" Residue "H ARG 29": "NH1" <-> "NH2" Residue "H ARG 136": "NH1" <-> "NH2" Residue "H ARG 234": "NH1" <-> "NH2" Residue "I ARG 11": "NH1" <-> "NH2" Residue "I ARG 29": "NH1" <-> "NH2" Residue "I ARG 136": "NH1" <-> "NH2" Residue "I ARG 234": "NH1" <-> "NH2" Residue "J ARG 11": "NH1" <-> "NH2" Residue "J ARG 29": "NH1" <-> "NH2" Residue "J ARG 136": "NH1" <-> "NH2" Residue "J ARG 234": "NH1" <-> "NH2" Residue "K ARG 11": "NH1" <-> "NH2" Residue "K ARG 29": "NH1" <-> "NH2" Residue "K ARG 136": "NH1" <-> "NH2" Residue "K ARG 234": "NH1" <-> "NH2" Residue "L ARG 11": "NH1" <-> "NH2" Residue "L ARG 29": "NH1" <-> "NH2" Residue "L ARG 136": "NH1" <-> "NH2" Residue "L ARG 234": "NH1" <-> "NH2" Residue "M ARG 11": "NH1" <-> "NH2" Residue "M ARG 29": "NH1" <-> "NH2" Residue "M ARG 136": "NH1" <-> "NH2" Residue "M ARG 234": "NH1" <-> "NH2" Residue "N ARG 11": "NH1" <-> "NH2" Residue "N ARG 29": "NH1" <-> "NH2" Residue "N ARG 136": "NH1" <-> "NH2" Residue "N ARG 234": "NH1" <-> "NH2" Residue "O ARG 11": "NH1" <-> "NH2" Residue "O ARG 29": "NH1" <-> "NH2" Residue "O ARG 136": "NH1" <-> "NH2" Residue "O ARG 234": "NH1" <-> "NH2" Residue "P ARG 11": "NH1" <-> "NH2" Residue "P ARG 29": "NH1" <-> "NH2" Residue "P ARG 136": "NH1" <-> "NH2" Residue "P ARG 234": "NH1" <-> "NH2" Residue "Q ARG 11": "NH1" <-> "NH2" Residue "Q ARG 29": "NH1" <-> "NH2" Residue "Q ARG 136": "NH1" <-> "NH2" Residue "Q ARG 234": "NH1" <-> "NH2" Residue "R ARG 11": "NH1" <-> "NH2" Residue "R ARG 29": "NH1" <-> "NH2" Residue "R ARG 136": "NH1" <-> "NH2" Residue "R ARG 234": "NH1" <-> "NH2" Residue "S ARG 11": "NH1" <-> "NH2" Residue "S ARG 29": "NH1" <-> "NH2" Residue "S ARG 136": "NH1" <-> "NH2" Residue "S ARG 234": "NH1" <-> "NH2" Residue "T ARG 11": "NH1" <-> "NH2" Residue "T ARG 29": "NH1" <-> "NH2" Residue "T ARG 136": "NH1" <-> "NH2" Residue "T ARG 234": "NH1" <-> "NH2" Residue "U ARG 11": "NH1" <-> "NH2" Residue "U ARG 29": "NH1" <-> "NH2" Residue "U ARG 136": "NH1" <-> "NH2" Residue "U ARG 234": "NH1" <-> "NH2" Residue "V ARG 11": "NH1" <-> "NH2" Residue "V ARG 29": "NH1" <-> "NH2" Residue "V ARG 136": "NH1" <-> "NH2" Residue "V ARG 234": "NH1" <-> "NH2" Residue "W ARG 11": "NH1" <-> "NH2" Residue "W ARG 29": "NH1" <-> "NH2" Residue "W ARG 136": "NH1" <-> "NH2" Residue "W ARG 234": "NH1" <-> "NH2" Residue "X ARG 11": "NH1" <-> "NH2" Residue "X ARG 29": "NH1" <-> "NH2" Residue "X ARG 136": "NH1" <-> "NH2" Residue "X ARG 234": "NH1" <-> "NH2" Residue "Y ARG 11": "NH1" <-> "NH2" Residue "Y ARG 29": "NH1" <-> "NH2" Residue "Y ARG 136": "NH1" <-> "NH2" Residue "Y ARG 234": "NH1" <-> "NH2" Residue "Z ARG 11": "NH1" <-> "NH2" Residue "Z ARG 29": "NH1" <-> "NH2" Residue "Z ARG 136": "NH1" <-> "NH2" Residue "Z ARG 234": "NH1" <-> "NH2" Residue "0 ARG 11": "NH1" <-> "NH2" Residue "0 ARG 29": "NH1" <-> "NH2" Residue "0 ARG 136": "NH1" <-> "NH2" Residue "0 ARG 234": "NH1" <-> "NH2" Residue "1 ARG 11": "NH1" <-> "NH2" Residue "1 ARG 29": "NH1" <-> "NH2" Residue "1 ARG 136": "NH1" <-> "NH2" Residue "1 ARG 234": "NH1" <-> "NH2" Residue "2 ARG 11": "NH1" <-> "NH2" Residue "2 ARG 29": "NH1" <-> "NH2" Residue "2 ARG 136": "NH1" <-> "NH2" Residue "2 ARG 234": "NH1" <-> "NH2" Residue "3 ARG 11": "NH1" <-> "NH2" Residue "3 ARG 29": "NH1" <-> "NH2" Residue "3 ARG 136": "NH1" <-> "NH2" Residue "3 ARG 234": "NH1" <-> "NH2" Residue "4 ARG 11": "NH1" <-> "NH2" Residue "4 ARG 29": "NH1" <-> "NH2" Residue "4 ARG 136": "NH1" <-> "NH2" Residue "4 ARG 234": "NH1" <-> "NH2" Residue "5 ARG 11": "NH1" <-> "NH2" Residue "5 ARG 29": "NH1" <-> "NH2" Residue "5 ARG 136": "NH1" <-> "NH2" Residue "5 ARG 234": "NH1" <-> "NH2" Residue "6 ARG 11": "NH1" <-> "NH2" Residue "6 ARG 29": "NH1" <-> "NH2" Residue "6 ARG 136": "NH1" <-> "NH2" Residue "6 ARG 234": "NH1" <-> "NH2" Residue "7 ARG 11": "NH1" <-> "NH2" Residue "7 ARG 29": "NH1" <-> "NH2" Residue "7 ARG 136": "NH1" <-> "NH2" Residue "7 ARG 234": "NH1" <-> "NH2" Residue "8 ARG 11": "NH1" <-> "NH2" Residue "8 ARG 29": "NH1" <-> "NH2" Residue "8 ARG 136": "NH1" <-> "NH2" Residue "8 ARG 234": "NH1" <-> "NH2" Residue "9 ARG 11": "NH1" <-> "NH2" Residue "9 ARG 29": "NH1" <-> "NH2" Residue "9 ARG 136": "NH1" <-> "NH2" Residue "9 ARG 234": "NH1" <-> "NH2" Residue "a ARG 11": "NH1" <-> "NH2" Residue "a ARG 29": "NH1" <-> "NH2" Residue "a ARG 136": "NH1" <-> "NH2" Residue "a ARG 234": "NH1" <-> "NH2" Residue "b ARG 11": "NH1" <-> "NH2" Residue "b ARG 29": "NH1" <-> "NH2" Residue "b ARG 136": "NH1" <-> "NH2" Residue "b ARG 234": "NH1" <-> "NH2" Residue "c ARG 11": "NH1" <-> "NH2" Residue "c ARG 29": "NH1" <-> "NH2" Residue "c ARG 136": "NH1" <-> "NH2" Residue "c ARG 234": "NH1" <-> "NH2" Residue "d ARG 11": "NH1" <-> "NH2" Residue "d ARG 29": "NH1" <-> "NH2" Residue "d ARG 136": "NH1" <-> "NH2" Residue "d ARG 234": "NH1" <-> "NH2" Residue "e ARG 11": "NH1" <-> "NH2" Residue "e ARG 29": "NH1" <-> "NH2" Residue "e ARG 136": "NH1" <-> "NH2" Residue "e ARG 234": "NH1" <-> "NH2" Residue "f ARG 11": "NH1" <-> "NH2" Residue "f ARG 29": "NH1" <-> "NH2" Residue "f ARG 136": "NH1" <-> "NH2" Residue "f ARG 234": "NH1" <-> "NH2" Residue "g ARG 11": "NH1" <-> "NH2" Residue "g ARG 29": "NH1" <-> "NH2" Residue "g ARG 136": "NH1" <-> "NH2" Residue "g ARG 234": "NH1" <-> "NH2" Residue "h ARG 11": "NH1" <-> "NH2" Residue "h ARG 29": "NH1" <-> "NH2" Residue "h ARG 136": "NH1" <-> "NH2" Residue "h ARG 234": "NH1" <-> "NH2" Residue "i ARG 11": "NH1" <-> "NH2" Residue "i ARG 29": "NH1" <-> "NH2" Residue "i ARG 136": "NH1" <-> "NH2" Residue "i ARG 234": "NH1" <-> "NH2" Residue "j ARG 11": "NH1" <-> "NH2" Residue "j ARG 29": "NH1" <-> "NH2" Residue "j ARG 136": "NH1" <-> "NH2" Residue "j ARG 234": "NH1" <-> "NH2" Residue "k ARG 11": "NH1" <-> "NH2" Residue "k ARG 29": "NH1" <-> "NH2" Residue "k ARG 136": "NH1" <-> "NH2" Residue "k ARG 234": "NH1" <-> "NH2" Residue "l ARG 11": "NH1" <-> "NH2" Residue "l ARG 29": "NH1" <-> "NH2" Residue "l ARG 136": "NH1" <-> "NH2" Residue "l ARG 234": "NH1" <-> "NH2" Residue "m ARG 11": "NH1" <-> "NH2" Residue "m ARG 29": "NH1" <-> "NH2" Residue "m ARG 136": "NH1" <-> "NH2" Residue "m ARG 234": "NH1" <-> "NH2" Residue "n ARG 11": "NH1" <-> "NH2" Residue "n ARG 29": "NH1" <-> "NH2" Residue "n ARG 136": "NH1" <-> "NH2" Residue "n ARG 234": "NH1" <-> "NH2" Residue "o ARG 11": "NH1" <-> "NH2" Residue "o ARG 29": "NH1" <-> "NH2" Residue "o ARG 136": "NH1" <-> "NH2" Residue "o ARG 234": "NH1" <-> "NH2" Residue "p ARG 11": "NH1" <-> "NH2" Residue "p ARG 29": "NH1" <-> "NH2" Residue "p ARG 136": "NH1" <-> "NH2" Residue "p ARG 234": "NH1" <-> "NH2" Residue "q ARG 11": "NH1" <-> "NH2" Residue "q ARG 29": "NH1" <-> "NH2" Residue "q ARG 136": "NH1" <-> "NH2" Residue "q ARG 234": "NH1" <-> "NH2" Residue "r ARG 11": "NH1" <-> "NH2" Residue "r ARG 29": "NH1" <-> "NH2" Residue "r ARG 136": "NH1" <-> "NH2" Residue "r ARG 234": "NH1" <-> "NH2" Residue "s ARG 11": "NH1" <-> "NH2" Residue "s ARG 29": "NH1" <-> "NH2" Residue "s ARG 136": "NH1" <-> "NH2" Residue "s ARG 234": "NH1" <-> "NH2" Residue "t ARG 11": "NH1" <-> "NH2" Residue "t ARG 29": "NH1" <-> "NH2" Residue "t ARG 136": "NH1" <-> "NH2" Residue "t ARG 234": "NH1" <-> "NH2" Residue "u ARG 11": "NH1" <-> "NH2" Residue "u ARG 29": "NH1" <-> "NH2" Residue "u ARG 136": "NH1" <-> "NH2" Residue "u ARG 234": "NH1" <-> "NH2" Residue "v ARG 11": "NH1" <-> "NH2" Residue "v ARG 29": "NH1" <-> "NH2" Residue "v ARG 136": "NH1" <-> "NH2" Residue "v ARG 234": "NH1" <-> "NH2" Residue "w ARG 11": "NH1" <-> "NH2" Residue "w ARG 29": "NH1" <-> "NH2" Residue "w ARG 136": "NH1" <-> "NH2" Residue "w ARG 234": "NH1" <-> "NH2" Residue "x ARG 11": "NH1" <-> "NH2" Residue "x ARG 29": "NH1" <-> "NH2" Residue "x ARG 136": "NH1" <-> "NH2" Residue "x ARG 234": "NH1" <-> "NH2" Time to flip residues: 0.38s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-4938/modules/chem_data/mon_lib" Total number of atoms: 133440 Number of models: 1 Model: "" Number of chains: 60 Chain: "A" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "B" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "C" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "D" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "E" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "F" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "G" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "H" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "I" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "J" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "K" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "L" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "M" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "N" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "O" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "P" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "Q" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "R" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "S" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "T" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "U" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "V" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "W" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "X" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "Y" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "Z" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "0" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "1" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "2" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "3" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "4" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "5" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "6" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "7" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "8" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "9" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "a" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "b" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "c" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "d" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "e" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "f" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "g" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "h" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "i" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "j" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "k" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "l" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "m" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "n" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "o" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "p" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "q" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "r" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "s" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "t" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "u" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "v" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "w" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Chain: "x" Number of atoms: 2224 Number of conformers: 1 Conformer: "" Number of residues, atoms: 280, 2224 Classifications: {'peptide': 280} Link IDs: {'PCIS': 1, 'PTRANS': 16, 'TRANS': 262} Chain breaks: 1 Time building chain proxies: 52.34, per 1000 atoms: 0.39 Number of scatterers: 133440 At special positions: 0 Unit cell: (249.66, 249.66, 249.66, 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 300 16.00 O 24300 8.00 N 23880 7.00 C 84960 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: 40.77 Conformation dependent library (CDL) restraints added in 14.6 seconds 33120 Ramachandran restraints generated. 16560 Oldfield, 0 Emsley, 16560 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 31680 Finding SS restraints... Secondary structure from input PDB file: 420 helices and 240 sheets defined 27.1% alpha, 32.1% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 6.40 Creating SS restraints... Processing helix chain 'A' and resid 11 through 17 Processing helix chain 'A' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG A 38 " --> pdb=" O ARG A 34 " (cutoff:3.500A) Processing helix chain 'A' and resid 100 through 106 Processing helix chain 'A' and resid 111 through 135 Processing helix chain 'A' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU A 162 " --> pdb=" O THR A 158 " (cutoff:3.500A) Processing helix chain 'A' and resid 179 through 193 Processing helix chain 'A' and resid 285 through 287 No H-bonds generated for 'chain 'A' and resid 285 through 287' Processing helix chain 'B' and resid 11 through 17 Processing helix chain 'B' and resid 34 through 40 removed outlier: 3.597A pdb=" N ARG B 38 " --> pdb=" O ARG B 34 " (cutoff:3.500A) Processing helix chain 'B' and resid 100 through 106 Processing helix chain 'B' and resid 111 through 135 Processing helix chain 'B' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU B 162 " --> pdb=" O THR B 158 " (cutoff:3.500A) Processing helix chain 'B' and resid 179 through 193 Processing helix chain 'B' and resid 285 through 287 No H-bonds generated for 'chain 'B' and resid 285 through 287' Processing helix chain 'C' and resid 11 through 17 Processing helix chain 'C' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG C 38 " --> pdb=" O ARG C 34 " (cutoff:3.500A) Processing helix chain 'C' and resid 100 through 106 Processing helix chain 'C' and resid 111 through 135 Processing helix chain 'C' and resid 158 through 169 removed outlier: 3.549A pdb=" N LEU C 162 " --> pdb=" O THR C 158 " (cutoff:3.500A) Processing helix chain 'C' and resid 179 through 193 Processing helix chain 'C' and resid 285 through 287 No H-bonds generated for 'chain 'C' and resid 285 through 287' Processing helix chain 'D' and resid 11 through 17 Processing helix chain 'D' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG D 38 " --> pdb=" O ARG D 34 " (cutoff:3.500A) Processing helix chain 'D' and resid 100 through 106 Processing helix chain 'D' and resid 111 through 135 Processing helix chain 'D' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU D 162 " --> pdb=" O THR D 158 " (cutoff:3.500A) Processing helix chain 'D' and resid 179 through 193 Processing helix chain 'D' and resid 285 through 287 No H-bonds generated for 'chain 'D' and resid 285 through 287' Processing helix chain 'E' and resid 11 through 17 Processing helix chain 'E' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG E 38 " --> pdb=" O ARG E 34 " (cutoff:3.500A) Processing helix chain 'E' and resid 100 through 106 Processing helix chain 'E' and resid 111 through 135 Processing helix chain 'E' and resid 158 through 169 removed outlier: 3.549A pdb=" N LEU E 162 " --> pdb=" O THR E 158 " (cutoff:3.500A) Processing helix chain 'E' and resid 179 through 193 Processing helix chain 'E' and resid 285 through 287 No H-bonds generated for 'chain 'E' and resid 285 through 287' Processing helix chain 'F' and resid 11 through 17 Processing helix chain 'F' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG F 38 " --> pdb=" O ARG F 34 " (cutoff:3.500A) Processing helix chain 'F' and resid 100 through 106 Processing helix chain 'F' and resid 111 through 135 Processing helix chain 'F' and resid 158 through 169 removed outlier: 3.549A pdb=" N LEU F 162 " --> pdb=" O THR F 158 " (cutoff:3.500A) Processing helix chain 'F' and resid 179 through 193 Processing helix chain 'F' and resid 285 through 287 No H-bonds generated for 'chain 'F' and resid 285 through 287' Processing helix chain 'G' and resid 11 through 17 Processing helix chain 'G' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG G 38 " --> pdb=" O ARG G 34 " (cutoff:3.500A) Processing helix chain 'G' and resid 100 through 106 Processing helix chain 'G' and resid 111 through 135 Processing helix chain 'G' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU G 162 " --> pdb=" O THR G 158 " (cutoff:3.500A) Processing helix chain 'G' and resid 179 through 193 Processing helix chain 'G' and resid 285 through 287 No H-bonds generated for 'chain 'G' and resid 285 through 287' Processing helix chain 'H' and resid 11 through 17 Processing helix chain 'H' and resid 34 through 40 removed outlier: 3.597A pdb=" N ARG H 38 " --> pdb=" O ARG H 34 " (cutoff:3.500A) Processing helix chain 'H' and resid 100 through 106 Processing helix chain 'H' and resid 111 through 135 Processing helix chain 'H' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU H 162 " --> pdb=" O THR H 158 " (cutoff:3.500A) Processing helix chain 'H' and resid 179 through 193 Processing helix chain 'H' and resid 285 through 287 No H-bonds generated for 'chain 'H' and resid 285 through 287' Processing helix chain 'I' and resid 11 through 17 Processing helix chain 'I' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG I 38 " --> pdb=" O ARG I 34 " (cutoff:3.500A) Processing helix chain 'I' and resid 100 through 106 Processing helix chain 'I' and resid 111 through 135 Processing helix chain 'I' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU I 162 " --> pdb=" O THR I 158 " (cutoff:3.500A) Processing helix chain 'I' and resid 179 through 193 Processing helix chain 'I' and resid 285 through 287 No H-bonds generated for 'chain 'I' and resid 285 through 287' Processing helix chain 'J' and resid 11 through 17 Processing helix chain 'J' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG J 38 " --> pdb=" O ARG J 34 " (cutoff:3.500A) Processing helix chain 'J' and resid 100 through 106 Processing helix chain 'J' and resid 111 through 135 Processing helix chain 'J' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU J 162 " --> pdb=" O THR J 158 " (cutoff:3.500A) Processing helix chain 'J' and resid 179 through 193 Processing helix chain 'J' and resid 285 through 287 No H-bonds generated for 'chain 'J' and resid 285 through 287' Processing helix chain 'K' and resid 11 through 17 Processing helix chain 'K' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG K 38 " --> pdb=" O ARG K 34 " (cutoff:3.500A) Processing helix chain 'K' and resid 100 through 106 Processing helix chain 'K' and resid 111 through 135 Processing helix chain 'K' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU K 162 " --> pdb=" O THR K 158 " (cutoff:3.500A) Processing helix chain 'K' and resid 179 through 193 Processing helix chain 'K' and resid 285 through 287 No H-bonds generated for 'chain 'K' and resid 285 through 287' Processing helix chain 'L' and resid 11 through 17 Processing helix chain 'L' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG L 38 " --> pdb=" O ARG L 34 " (cutoff:3.500A) Processing helix chain 'L' and resid 100 through 106 Processing helix chain 'L' and resid 111 through 135 Processing helix chain 'L' and resid 158 through 169 removed outlier: 3.549A pdb=" N LEU L 162 " --> pdb=" O THR L 158 " (cutoff:3.500A) Processing helix chain 'L' and resid 179 through 193 Processing helix chain 'L' and resid 285 through 287 No H-bonds generated for 'chain 'L' and resid 285 through 287' Processing helix chain 'M' and resid 11 through 17 Processing helix chain 'M' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG M 38 " --> pdb=" O ARG M 34 " (cutoff:3.500A) Processing helix chain 'M' and resid 100 through 106 Processing helix chain 'M' and resid 111 through 135 Processing helix chain 'M' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU M 162 " --> pdb=" O THR M 158 " (cutoff:3.500A) Processing helix chain 'M' and resid 179 through 193 Processing helix chain 'M' and resid 285 through 287 No H-bonds generated for 'chain 'M' and resid 285 through 287' Processing helix chain 'N' and resid 11 through 17 Processing helix chain 'N' and resid 34 through 40 removed outlier: 3.597A pdb=" N ARG N 38 " --> pdb=" O ARG N 34 " (cutoff:3.500A) Processing helix chain 'N' and resid 100 through 106 Processing helix chain 'N' and resid 111 through 135 Processing helix chain 'N' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU N 162 " --> pdb=" O THR N 158 " (cutoff:3.500A) Processing helix chain 'N' and resid 179 through 193 Processing helix chain 'N' and resid 285 through 287 No H-bonds generated for 'chain 'N' and resid 285 through 287' Processing helix chain 'O' and resid 11 through 17 Processing helix chain 'O' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG O 38 " --> pdb=" O ARG O 34 " (cutoff:3.500A) Processing helix chain 'O' and resid 100 through 106 Processing helix chain 'O' and resid 111 through 135 Processing helix chain 'O' and resid 158 through 169 removed outlier: 3.549A pdb=" N LEU O 162 " --> pdb=" O THR O 158 " (cutoff:3.500A) Processing helix chain 'O' and resid 179 through 193 Processing helix chain 'O' and resid 285 through 287 No H-bonds generated for 'chain 'O' and resid 285 through 287' Processing helix chain 'P' and resid 11 through 17 Processing helix chain 'P' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG P 38 " --> pdb=" O ARG P 34 " (cutoff:3.500A) Processing helix chain 'P' and resid 100 through 106 Processing helix chain 'P' and resid 111 through 135 Processing helix chain 'P' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU P 162 " --> pdb=" O THR P 158 " (cutoff:3.500A) Processing helix chain 'P' and resid 179 through 193 Processing helix chain 'P' and resid 285 through 287 No H-bonds generated for 'chain 'P' and resid 285 through 287' Processing helix chain 'Q' and resid 11 through 17 Processing helix chain 'Q' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG Q 38 " --> pdb=" O ARG Q 34 " (cutoff:3.500A) Processing helix chain 'Q' and resid 100 through 106 Processing helix chain 'Q' and resid 111 through 135 Processing helix chain 'Q' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU Q 162 " --> pdb=" O THR Q 158 " (cutoff:3.500A) Processing helix chain 'Q' and resid 179 through 193 Processing helix chain 'Q' and resid 285 through 287 No H-bonds generated for 'chain 'Q' and resid 285 through 287' Processing helix chain 'R' and resid 11 through 17 Processing helix chain 'R' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG R 38 " --> pdb=" O ARG R 34 " (cutoff:3.500A) Processing helix chain 'R' and resid 100 through 106 Processing helix chain 'R' and resid 111 through 135 Processing helix chain 'R' and resid 158 through 169 removed outlier: 3.549A pdb=" N LEU R 162 " --> pdb=" O THR R 158 " (cutoff:3.500A) Processing helix chain 'R' and resid 179 through 193 Processing helix chain 'R' and resid 285 through 287 No H-bonds generated for 'chain 'R' and resid 285 through 287' Processing helix chain 'S' and resid 11 through 17 Processing helix chain 'S' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG S 38 " --> pdb=" O ARG S 34 " (cutoff:3.500A) Processing helix chain 'S' and resid 100 through 106 Processing helix chain 'S' and resid 111 through 135 Processing helix chain 'S' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU S 162 " --> pdb=" O THR S 158 " (cutoff:3.500A) Processing helix chain 'S' and resid 179 through 193 Processing helix chain 'S' and resid 285 through 287 No H-bonds generated for 'chain 'S' and resid 285 through 287' Processing helix chain 'T' and resid 11 through 17 Processing helix chain 'T' and resid 34 through 40 removed outlier: 3.597A pdb=" N ARG T 38 " --> pdb=" O ARG T 34 " (cutoff:3.500A) Processing helix chain 'T' and resid 100 through 106 Processing helix chain 'T' and resid 111 through 135 Processing helix chain 'T' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU T 162 " --> pdb=" O THR T 158 " (cutoff:3.500A) Processing helix chain 'T' and resid 179 through 193 Processing helix chain 'T' and resid 285 through 287 No H-bonds generated for 'chain 'T' and resid 285 through 287' Processing helix chain 'U' and resid 11 through 17 Processing helix chain 'U' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG U 38 " --> pdb=" O ARG U 34 " (cutoff:3.500A) Processing helix chain 'U' and resid 100 through 106 Processing helix chain 'U' and resid 111 through 135 Processing helix chain 'U' and resid 158 through 169 removed outlier: 3.549A pdb=" N LEU U 162 " --> pdb=" O THR U 158 " (cutoff:3.500A) Processing helix chain 'U' and resid 179 through 193 Processing helix chain 'U' and resid 285 through 287 No H-bonds generated for 'chain 'U' and resid 285 through 287' Processing helix chain 'V' and resid 11 through 17 Processing helix chain 'V' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG V 38 " --> pdb=" O ARG V 34 " (cutoff:3.500A) Processing helix chain 'V' and resid 100 through 106 Processing helix chain 'V' and resid 111 through 135 Processing helix chain 'V' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU V 162 " --> pdb=" O THR V 158 " (cutoff:3.500A) Processing helix chain 'V' and resid 179 through 193 Processing helix chain 'V' and resid 285 through 287 No H-bonds generated for 'chain 'V' and resid 285 through 287' Processing helix chain 'W' and resid 11 through 17 Processing helix chain 'W' and resid 34 through 40 removed outlier: 3.597A pdb=" N ARG W 38 " --> pdb=" O ARG W 34 " (cutoff:3.500A) Processing helix chain 'W' and resid 100 through 106 Processing helix chain 'W' and resid 111 through 135 Processing helix chain 'W' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU W 162 " --> pdb=" O THR W 158 " (cutoff:3.500A) Processing helix chain 'W' and resid 179 through 193 Processing helix chain 'W' and resid 285 through 287 No H-bonds generated for 'chain 'W' and resid 285 through 287' Processing helix chain 'X' and resid 11 through 17 Processing helix chain 'X' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG X 38 " --> pdb=" O ARG X 34 " (cutoff:3.500A) Processing helix chain 'X' and resid 100 through 106 Processing helix chain 'X' and resid 111 through 135 Processing helix chain 'X' and resid 158 through 169 removed outlier: 3.549A pdb=" N LEU X 162 " --> pdb=" O THR X 158 " (cutoff:3.500A) Processing helix chain 'X' and resid 179 through 193 Processing helix chain 'X' and resid 285 through 287 No H-bonds generated for 'chain 'X' and resid 285 through 287' Processing helix chain 'Y' and resid 11 through 17 Processing helix chain 'Y' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG Y 38 " --> pdb=" O ARG Y 34 " (cutoff:3.500A) Processing helix chain 'Y' and resid 100 through 106 Processing helix chain 'Y' and resid 111 through 135 Processing helix chain 'Y' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU Y 162 " --> pdb=" O THR Y 158 " (cutoff:3.500A) Processing helix chain 'Y' and resid 179 through 193 Processing helix chain 'Y' and resid 285 through 287 No H-bonds generated for 'chain 'Y' and resid 285 through 287' Processing helix chain 'Z' and resid 11 through 17 Processing helix chain 'Z' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG Z 38 " --> pdb=" O ARG Z 34 " (cutoff:3.500A) Processing helix chain 'Z' and resid 100 through 106 Processing helix chain 'Z' and resid 111 through 135 Processing helix chain 'Z' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU Z 162 " --> pdb=" O THR Z 158 " (cutoff:3.500A) Processing helix chain 'Z' and resid 179 through 193 Processing helix chain 'Z' and resid 285 through 287 No H-bonds generated for 'chain 'Z' and resid 285 through 287' Processing helix chain '0' and resid 11 through 17 Processing helix chain '0' and resid 34 through 40 removed outlier: 3.597A pdb=" N ARG 0 38 " --> pdb=" O ARG 0 34 " (cutoff:3.500A) Processing helix chain '0' and resid 100 through 106 Processing helix chain '0' and resid 111 through 135 Processing helix chain '0' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU 0 162 " --> pdb=" O THR 0 158 " (cutoff:3.500A) Processing helix chain '0' and resid 179 through 193 Processing helix chain '0' and resid 285 through 287 No H-bonds generated for 'chain '0' and resid 285 through 287' Processing helix chain '1' and resid 11 through 17 Processing helix chain '1' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG 1 38 " --> pdb=" O ARG 1 34 " (cutoff:3.500A) Processing helix chain '1' and resid 100 through 106 Processing helix chain '1' and resid 111 through 135 Processing helix chain '1' and resid 158 through 169 removed outlier: 3.549A pdb=" N LEU 1 162 " --> pdb=" O THR 1 158 " (cutoff:3.500A) Processing helix chain '1' and resid 179 through 193 Processing helix chain '1' and resid 285 through 287 No H-bonds generated for 'chain '1' and resid 285 through 287' Processing helix chain '2' and resid 11 through 17 Processing helix chain '2' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG 2 38 " --> pdb=" O ARG 2 34 " (cutoff:3.500A) Processing helix chain '2' and resid 100 through 106 Processing helix chain '2' and resid 111 through 135 Processing helix chain '2' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU 2 162 " --> pdb=" O THR 2 158 " (cutoff:3.500A) Processing helix chain '2' and resid 179 through 193 Processing helix chain '2' and resid 285 through 287 No H-bonds generated for 'chain '2' and resid 285 through 287' Processing helix chain '3' and resid 11 through 17 Processing helix chain '3' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG 3 38 " --> pdb=" O ARG 3 34 " (cutoff:3.500A) Processing helix chain '3' and resid 100 through 106 Processing helix chain '3' and resid 111 through 135 Processing helix chain '3' and resid 158 through 169 removed outlier: 3.549A pdb=" N LEU 3 162 " --> pdb=" O THR 3 158 " (cutoff:3.500A) Processing helix chain '3' and resid 179 through 193 Processing helix chain '3' and resid 285 through 287 No H-bonds generated for 'chain '3' and resid 285 through 287' Processing helix chain '4' and resid 11 through 17 Processing helix chain '4' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG 4 38 " --> pdb=" O ARG 4 34 " (cutoff:3.500A) Processing helix chain '4' and resid 100 through 106 Processing helix chain '4' and resid 111 through 135 Processing helix chain '4' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU 4 162 " --> pdb=" O THR 4 158 " (cutoff:3.500A) Processing helix chain '4' and resid 179 through 193 Processing helix chain '4' and resid 285 through 287 No H-bonds generated for 'chain '4' and resid 285 through 287' Processing helix chain '5' and resid 11 through 17 Processing helix chain '5' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG 5 38 " --> pdb=" O ARG 5 34 " (cutoff:3.500A) Processing helix chain '5' and resid 100 through 106 Processing helix chain '5' and resid 111 through 135 Processing helix chain '5' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU 5 162 " --> pdb=" O THR 5 158 " (cutoff:3.500A) Processing helix chain '5' and resid 179 through 193 Processing helix chain '5' and resid 285 through 287 No H-bonds generated for 'chain '5' and resid 285 through 287' Processing helix chain '6' and resid 11 through 17 Processing helix chain '6' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG 6 38 " --> pdb=" O ARG 6 34 " (cutoff:3.500A) Processing helix chain '6' and resid 100 through 106 Processing helix chain '6' and resid 111 through 135 Processing helix chain '6' and resid 158 through 169 removed outlier: 3.549A pdb=" N LEU 6 162 " --> pdb=" O THR 6 158 " (cutoff:3.500A) Processing helix chain '6' and resid 179 through 193 Processing helix chain '6' and resid 285 through 287 No H-bonds generated for 'chain '6' and resid 285 through 287' Processing helix chain '7' and resid 11 through 17 Processing helix chain '7' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG 7 38 " --> pdb=" O ARG 7 34 " (cutoff:3.500A) Processing helix chain '7' and resid 100 through 106 Processing helix chain '7' and resid 111 through 135 Processing helix chain '7' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU 7 162 " --> pdb=" O THR 7 158 " (cutoff:3.500A) Processing helix chain '7' and resid 179 through 193 Processing helix chain '7' and resid 285 through 287 No H-bonds generated for 'chain '7' and resid 285 through 287' Processing helix chain '8' and resid 11 through 17 Processing helix chain '8' and resid 34 through 40 removed outlier: 3.597A pdb=" N ARG 8 38 " --> pdb=" O ARG 8 34 " (cutoff:3.500A) Processing helix chain '8' and resid 100 through 106 Processing helix chain '8' and resid 111 through 135 Processing helix chain '8' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU 8 162 " --> pdb=" O THR 8 158 " (cutoff:3.500A) Processing helix chain '8' and resid 179 through 193 Processing helix chain '8' and resid 285 through 287 No H-bonds generated for 'chain '8' and resid 285 through 287' Processing helix chain '9' and resid 11 through 17 Processing helix chain '9' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG 9 38 " --> pdb=" O ARG 9 34 " (cutoff:3.500A) Processing helix chain '9' and resid 100 through 106 Processing helix chain '9' and resid 111 through 135 Processing helix chain '9' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU 9 162 " --> pdb=" O THR 9 158 " (cutoff:3.500A) Processing helix chain '9' and resid 179 through 193 Processing helix chain '9' and resid 285 through 287 No H-bonds generated for 'chain '9' and resid 285 through 287' Processing helix chain 'a' and resid 11 through 17 Processing helix chain 'a' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG a 38 " --> pdb=" O ARG a 34 " (cutoff:3.500A) Processing helix chain 'a' and resid 100 through 106 Processing helix chain 'a' and resid 111 through 135 Processing helix chain 'a' and resid 158 through 169 removed outlier: 3.549A pdb=" N LEU a 162 " --> pdb=" O THR a 158 " (cutoff:3.500A) Processing helix chain 'a' and resid 179 through 193 Processing helix chain 'a' and resid 285 through 287 No H-bonds generated for 'chain 'a' and resid 285 through 287' Processing helix chain 'b' and resid 11 through 17 Processing helix chain 'b' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG b 38 " --> pdb=" O ARG b 34 " (cutoff:3.500A) Processing helix chain 'b' and resid 100 through 106 Processing helix chain 'b' and resid 111 through 135 Processing helix chain 'b' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU b 162 " --> pdb=" O THR b 158 " (cutoff:3.500A) Processing helix chain 'b' and resid 179 through 193 Processing helix chain 'b' and resid 285 through 287 No H-bonds generated for 'chain 'b' and resid 285 through 287' Processing helix chain 'c' and resid 11 through 17 Processing helix chain 'c' and resid 34 through 40 removed outlier: 3.597A pdb=" N ARG c 38 " --> pdb=" O ARG c 34 " (cutoff:3.500A) Processing helix chain 'c' and resid 100 through 106 Processing helix chain 'c' and resid 111 through 135 Processing helix chain 'c' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU c 162 " --> pdb=" O THR c 158 " (cutoff:3.500A) Processing helix chain 'c' and resid 179 through 193 Processing helix chain 'c' and resid 285 through 287 No H-bonds generated for 'chain 'c' and resid 285 through 287' Processing helix chain 'd' and resid 11 through 17 Processing helix chain 'd' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG d 38 " --> pdb=" O ARG d 34 " (cutoff:3.500A) Processing helix chain 'd' and resid 100 through 106 Processing helix chain 'd' and resid 111 through 135 Processing helix chain 'd' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU d 162 " --> pdb=" O THR d 158 " (cutoff:3.500A) Processing helix chain 'd' and resid 179 through 193 Processing helix chain 'd' and resid 285 through 287 No H-bonds generated for 'chain 'd' and resid 285 through 287' Processing helix chain 'e' and resid 11 through 17 Processing helix chain 'e' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG e 38 " --> pdb=" O ARG e 34 " (cutoff:3.500A) Processing helix chain 'e' and resid 100 through 106 Processing helix chain 'e' and resid 111 through 135 Processing helix chain 'e' and resid 158 through 169 removed outlier: 3.549A pdb=" N LEU e 162 " --> pdb=" O THR e 158 " (cutoff:3.500A) Processing helix chain 'e' and resid 179 through 193 Processing helix chain 'e' and resid 285 through 287 No H-bonds generated for 'chain 'e' and resid 285 through 287' Processing helix chain 'f' and resid 11 through 17 Processing helix chain 'f' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG f 38 " --> pdb=" O ARG f 34 " (cutoff:3.500A) Processing helix chain 'f' and resid 100 through 106 Processing helix chain 'f' and resid 111 through 135 Processing helix chain 'f' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU f 162 " --> pdb=" O THR f 158 " (cutoff:3.500A) Processing helix chain 'f' and resid 179 through 193 Processing helix chain 'f' and resid 285 through 287 No H-bonds generated for 'chain 'f' and resid 285 through 287' Processing helix chain 'g' and resid 11 through 17 Processing helix chain 'g' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG g 38 " --> pdb=" O ARG g 34 " (cutoff:3.500A) Processing helix chain 'g' and resid 100 through 106 Processing helix chain 'g' and resid 111 through 135 Processing helix chain 'g' and resid 158 through 169 removed outlier: 3.549A pdb=" N LEU g 162 " --> pdb=" O THR g 158 " (cutoff:3.500A) Processing helix chain 'g' and resid 179 through 193 Processing helix chain 'g' and resid 285 through 287 No H-bonds generated for 'chain 'g' and resid 285 through 287' Processing helix chain 'h' and resid 11 through 17 Processing helix chain 'h' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG h 38 " --> pdb=" O ARG h 34 " (cutoff:3.500A) Processing helix chain 'h' and resid 100 through 106 Processing helix chain 'h' and resid 111 through 135 Processing helix chain 'h' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU h 162 " --> pdb=" O THR h 158 " (cutoff:3.500A) Processing helix chain 'h' and resid 179 through 193 Processing helix chain 'h' and resid 285 through 287 No H-bonds generated for 'chain 'h' and resid 285 through 287' Processing helix chain 'i' and resid 11 through 17 Processing helix chain 'i' and resid 34 through 40 removed outlier: 3.597A pdb=" N ARG i 38 " --> pdb=" O ARG i 34 " (cutoff:3.500A) Processing helix chain 'i' and resid 100 through 106 Processing helix chain 'i' and resid 111 through 135 Processing helix chain 'i' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU i 162 " --> pdb=" O THR i 158 " (cutoff:3.500A) Processing helix chain 'i' and resid 179 through 193 Processing helix chain 'i' and resid 285 through 287 No H-bonds generated for 'chain 'i' and resid 285 through 287' Processing helix chain 'j' and resid 11 through 17 Processing helix chain 'j' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG j 38 " --> pdb=" O ARG j 34 " (cutoff:3.500A) Processing helix chain 'j' and resid 100 through 106 Processing helix chain 'j' and resid 111 through 135 Processing helix chain 'j' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU j 162 " --> pdb=" O THR j 158 " (cutoff:3.500A) Processing helix chain 'j' and resid 179 through 193 Processing helix chain 'j' and resid 285 through 287 No H-bonds generated for 'chain 'j' and resid 285 through 287' Processing helix chain 'k' and resid 11 through 17 Processing helix chain 'k' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG k 38 " --> pdb=" O ARG k 34 " (cutoff:3.500A) Processing helix chain 'k' and resid 100 through 106 Processing helix chain 'k' and resid 111 through 135 Processing helix chain 'k' and resid 158 through 169 removed outlier: 3.549A pdb=" N LEU k 162 " --> pdb=" O THR k 158 " (cutoff:3.500A) Processing helix chain 'k' and resid 179 through 193 Processing helix chain 'k' and resid 285 through 287 No H-bonds generated for 'chain 'k' and resid 285 through 287' Processing helix chain 'l' and resid 11 through 17 Processing helix chain 'l' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG l 38 " --> pdb=" O ARG l 34 " (cutoff:3.500A) Processing helix chain 'l' and resid 100 through 106 Processing helix chain 'l' and resid 111 through 135 Processing helix chain 'l' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU l 162 " --> pdb=" O THR l 158 " (cutoff:3.500A) Processing helix chain 'l' and resid 179 through 193 Processing helix chain 'l' and resid 285 through 287 No H-bonds generated for 'chain 'l' and resid 285 through 287' Processing helix chain 'm' and resid 11 through 17 Processing helix chain 'm' and resid 34 through 40 removed outlier: 3.597A pdb=" N ARG m 38 " --> pdb=" O ARG m 34 " (cutoff:3.500A) Processing helix chain 'm' and resid 100 through 106 Processing helix chain 'm' and resid 111 through 135 Processing helix chain 'm' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU m 162 " --> pdb=" O THR m 158 " (cutoff:3.500A) Processing helix chain 'm' and resid 179 through 193 Processing helix chain 'm' and resid 285 through 287 No H-bonds generated for 'chain 'm' and resid 285 through 287' Processing helix chain 'n' and resid 11 through 17 Processing helix chain 'n' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG n 38 " --> pdb=" O ARG n 34 " (cutoff:3.500A) Processing helix chain 'n' and resid 100 through 106 Processing helix chain 'n' and resid 111 through 135 Processing helix chain 'n' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU n 162 " --> pdb=" O THR n 158 " (cutoff:3.500A) Processing helix chain 'n' and resid 179 through 193 Processing helix chain 'n' and resid 285 through 287 No H-bonds generated for 'chain 'n' and resid 285 through 287' Processing helix chain 'o' and resid 11 through 17 Processing helix chain 'o' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG o 38 " --> pdb=" O ARG o 34 " (cutoff:3.500A) Processing helix chain 'o' and resid 100 through 106 Processing helix chain 'o' and resid 111 through 135 Processing helix chain 'o' and resid 158 through 169 removed outlier: 3.549A pdb=" N LEU o 162 " --> pdb=" O THR o 158 " (cutoff:3.500A) Processing helix chain 'o' and resid 179 through 193 Processing helix chain 'o' and resid 285 through 287 No H-bonds generated for 'chain 'o' and resid 285 through 287' Processing helix chain 'p' and resid 11 through 17 Processing helix chain 'p' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG p 38 " --> pdb=" O ARG p 34 " (cutoff:3.500A) Processing helix chain 'p' and resid 100 through 106 Processing helix chain 'p' and resid 111 through 135 Processing helix chain 'p' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU p 162 " --> pdb=" O THR p 158 " (cutoff:3.500A) Processing helix chain 'p' and resid 179 through 193 Processing helix chain 'p' and resid 285 through 287 No H-bonds generated for 'chain 'p' and resid 285 through 287' Processing helix chain 'q' and resid 11 through 17 Processing helix chain 'q' and resid 34 through 40 removed outlier: 3.597A pdb=" N ARG q 38 " --> pdb=" O ARG q 34 " (cutoff:3.500A) Processing helix chain 'q' and resid 100 through 106 Processing helix chain 'q' and resid 111 through 135 Processing helix chain 'q' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU q 162 " --> pdb=" O THR q 158 " (cutoff:3.500A) Processing helix chain 'q' and resid 179 through 193 Processing helix chain 'q' and resid 285 through 287 No H-bonds generated for 'chain 'q' and resid 285 through 287' Processing helix chain 'r' and resid 11 through 17 Processing helix chain 'r' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG r 38 " --> pdb=" O ARG r 34 " (cutoff:3.500A) Processing helix chain 'r' and resid 100 through 106 Processing helix chain 'r' and resid 111 through 135 Processing helix chain 'r' and resid 158 through 169 removed outlier: 3.549A pdb=" N LEU r 162 " --> pdb=" O THR r 158 " (cutoff:3.500A) Processing helix chain 'r' and resid 179 through 193 Processing helix chain 'r' and resid 285 through 287 No H-bonds generated for 'chain 'r' and resid 285 through 287' Processing helix chain 's' and resid 11 through 17 Processing helix chain 's' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG s 38 " --> pdb=" O ARG s 34 " (cutoff:3.500A) Processing helix chain 's' and resid 100 through 106 Processing helix chain 's' and resid 111 through 135 Processing helix chain 's' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU s 162 " --> pdb=" O THR s 158 " (cutoff:3.500A) Processing helix chain 's' and resid 179 through 193 Processing helix chain 's' and resid 285 through 287 No H-bonds generated for 'chain 's' and resid 285 through 287' Processing helix chain 't' and resid 11 through 17 Processing helix chain 't' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG t 38 " --> pdb=" O ARG t 34 " (cutoff:3.500A) Processing helix chain 't' and resid 100 through 106 Processing helix chain 't' and resid 111 through 135 Processing helix chain 't' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU t 162 " --> pdb=" O THR t 158 " (cutoff:3.500A) Processing helix chain 't' and resid 179 through 193 Processing helix chain 't' and resid 285 through 287 No H-bonds generated for 'chain 't' and resid 285 through 287' Processing helix chain 'u' and resid 11 through 17 Processing helix chain 'u' and resid 34 through 40 removed outlier: 3.597A pdb=" N ARG u 38 " --> pdb=" O ARG u 34 " (cutoff:3.500A) Processing helix chain 'u' and resid 100 through 106 Processing helix chain 'u' and resid 111 through 135 Processing helix chain 'u' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU u 162 " --> pdb=" O THR u 158 " (cutoff:3.500A) Processing helix chain 'u' and resid 179 through 193 Processing helix chain 'u' and resid 285 through 287 No H-bonds generated for 'chain 'u' and resid 285 through 287' Processing helix chain 'v' and resid 11 through 17 Processing helix chain 'v' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG v 38 " --> pdb=" O ARG v 34 " (cutoff:3.500A) Processing helix chain 'v' and resid 100 through 106 Processing helix chain 'v' and resid 111 through 135 Processing helix chain 'v' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU v 162 " --> pdb=" O THR v 158 " (cutoff:3.500A) Processing helix chain 'v' and resid 179 through 193 Processing helix chain 'v' and resid 285 through 287 No H-bonds generated for 'chain 'v' and resid 285 through 287' Processing helix chain 'w' and resid 11 through 17 Processing helix chain 'w' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG w 38 " --> pdb=" O ARG w 34 " (cutoff:3.500A) Processing helix chain 'w' and resid 100 through 106 Processing helix chain 'w' and resid 111 through 135 Processing helix chain 'w' and resid 158 through 169 removed outlier: 3.550A pdb=" N LEU w 162 " --> pdb=" O THR w 158 " (cutoff:3.500A) Processing helix chain 'w' and resid 179 through 193 Processing helix chain 'w' and resid 285 through 287 No H-bonds generated for 'chain 'w' and resid 285 through 287' Processing helix chain 'x' and resid 11 through 17 Processing helix chain 'x' and resid 34 through 40 removed outlier: 3.598A pdb=" N ARG x 38 " --> pdb=" O ARG x 34 " (cutoff:3.500A) Processing helix chain 'x' and resid 100 through 106 Processing helix chain 'x' and resid 111 through 135 Processing helix chain 'x' and resid 158 through 169 removed outlier: 3.549A pdb=" N LEU x 162 " --> pdb=" O THR x 158 " (cutoff:3.500A) Processing helix chain 'x' and resid 179 through 193 Processing helix chain 'x' and resid 285 through 287 No H-bonds generated for 'chain 'x' and resid 285 through 287' Processing sheet with id= 1, first strand: chain 'A' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS A 41 " --> pdb=" O GLY A 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR A 246 " --> pdb=" O HIS A 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR A 43 " --> pdb=" O TYR A 246 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS A 41 " --> pdb=" O GLY A 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR A 246 " --> pdb=" O HIS A 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR A 43 " --> pdb=" O TYR A 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU A 270 " --> pdb=" O ILE A 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE A 265 " --> pdb=" O LEU A 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER A 272 " --> pdb=" O MET A 263 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'A' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG A 85 " --> pdb=" O VAL A 52 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'A' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL A 150 " --> pdb=" O ASP A 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL A 295 " --> pdb=" O VAL A 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN A 294 " --> pdb=" O THR A 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR A 228 " --> pdb=" O ASN A 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE A 175 " --> pdb=" O LEU A 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE A 208 " --> pdb=" O LEU A 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER A 206 " --> pdb=" O PRO A 217 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'B' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS B 41 " --> pdb=" O GLY B 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR B 246 " --> pdb=" O HIS B 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR B 43 " --> pdb=" O TYR B 246 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'B' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS B 41 " --> pdb=" O GLY B 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR B 246 " --> pdb=" O HIS B 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR B 43 " --> pdb=" O TYR B 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU B 270 " --> pdb=" O ILE B 265 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N ILE B 265 " --> pdb=" O LEU B 270 " (cutoff:3.500A) removed outlier: 6.514A pdb=" N SER B 272 " --> pdb=" O MET B 263 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'B' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG B 85 " --> pdb=" O VAL B 52 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'B' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL B 150 " --> pdb=" O ASP B 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL B 295 " --> pdb=" O VAL B 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN B 294 " --> pdb=" O THR B 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR B 228 " --> pdb=" O ASN B 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE B 175 " --> pdb=" O LEU B 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE B 208 " --> pdb=" O LEU B 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER B 206 " --> pdb=" O PRO B 217 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'C' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS C 41 " --> pdb=" O GLY C 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR C 246 " --> pdb=" O HIS C 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR C 43 " --> pdb=" O TYR C 246 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'C' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS C 41 " --> pdb=" O GLY C 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR C 246 " --> pdb=" O HIS C 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR C 43 " --> pdb=" O TYR C 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU C 270 " --> pdb=" O ILE C 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE C 265 " --> pdb=" O LEU C 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER C 272 " --> pdb=" O MET C 263 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'C' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG C 85 " --> pdb=" O VAL C 52 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'C' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL C 150 " --> pdb=" O ASP C 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL C 295 " --> pdb=" O VAL C 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN C 294 " --> pdb=" O THR C 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR C 228 " --> pdb=" O ASN C 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE C 175 " --> pdb=" O LEU C 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE C 208 " --> pdb=" O LEU C 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER C 206 " --> pdb=" O PRO C 217 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'D' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS D 41 " --> pdb=" O GLY D 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR D 246 " --> pdb=" O HIS D 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR D 43 " --> pdb=" O TYR D 246 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'D' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS D 41 " --> pdb=" O GLY D 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR D 246 " --> pdb=" O HIS D 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR D 43 " --> pdb=" O TYR D 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU D 270 " --> pdb=" O ILE D 265 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N ILE D 265 " --> pdb=" O LEU D 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER D 272 " --> pdb=" O MET D 263 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'D' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG D 85 " --> pdb=" O VAL D 52 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'D' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL D 150 " --> pdb=" O ASP D 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL D 295 " --> pdb=" O VAL D 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN D 294 " --> pdb=" O THR D 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR D 228 " --> pdb=" O ASN D 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE D 175 " --> pdb=" O LEU D 233 " (cutoff:3.500A) removed outlier: 4.163A pdb=" N ILE D 208 " --> pdb=" O LEU D 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER D 206 " --> pdb=" O PRO D 217 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'E' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS E 41 " --> pdb=" O GLY E 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR E 246 " --> pdb=" O HIS E 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR E 43 " --> pdb=" O TYR E 246 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'E' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS E 41 " --> pdb=" O GLY E 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR E 246 " --> pdb=" O HIS E 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR E 43 " --> pdb=" O TYR E 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU E 270 " --> pdb=" O ILE E 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE E 265 " --> pdb=" O LEU E 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER E 272 " --> pdb=" O MET E 263 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'E' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG E 85 " --> pdb=" O VAL E 52 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'E' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL E 150 " --> pdb=" O ASP E 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL E 295 " --> pdb=" O VAL E 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN E 294 " --> pdb=" O THR E 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR E 228 " --> pdb=" O ASN E 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE E 175 " --> pdb=" O LEU E 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE E 208 " --> pdb=" O LEU E 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER E 206 " --> pdb=" O PRO E 217 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'F' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS F 41 " --> pdb=" O GLY F 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR F 246 " --> pdb=" O HIS F 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR F 43 " --> pdb=" O TYR F 246 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'F' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS F 41 " --> pdb=" O GLY F 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR F 246 " --> pdb=" O HIS F 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR F 43 " --> pdb=" O TYR F 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU F 270 " --> pdb=" O ILE F 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE F 265 " --> pdb=" O LEU F 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER F 272 " --> pdb=" O MET F 263 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'F' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG F 85 " --> pdb=" O VAL F 52 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'F' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL F 150 " --> pdb=" O ASP F 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL F 295 " --> pdb=" O VAL F 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN F 294 " --> pdb=" O THR F 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR F 228 " --> pdb=" O ASN F 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE F 175 " --> pdb=" O LEU F 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE F 208 " --> pdb=" O LEU F 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER F 206 " --> pdb=" O PRO F 217 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'G' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS G 41 " --> pdb=" O GLY G 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR G 246 " --> pdb=" O HIS G 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR G 43 " --> pdb=" O TYR G 246 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'G' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS G 41 " --> pdb=" O GLY G 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR G 246 " --> pdb=" O HIS G 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR G 43 " --> pdb=" O TYR G 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU G 270 " --> pdb=" O ILE G 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE G 265 " --> pdb=" O LEU G 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER G 272 " --> pdb=" O MET G 263 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'G' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG G 85 " --> pdb=" O VAL G 52 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'G' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL G 150 " --> pdb=" O ASP G 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL G 295 " --> pdb=" O VAL G 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN G 294 " --> pdb=" O THR G 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR G 228 " --> pdb=" O ASN G 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE G 175 " --> pdb=" O LEU G 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE G 208 " --> pdb=" O LEU G 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER G 206 " --> pdb=" O PRO G 217 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'H' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS H 41 " --> pdb=" O GLY H 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR H 246 " --> pdb=" O HIS H 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR H 43 " --> pdb=" O TYR H 246 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'H' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS H 41 " --> pdb=" O GLY H 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR H 246 " --> pdb=" O HIS H 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR H 43 " --> pdb=" O TYR H 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU H 270 " --> pdb=" O ILE H 265 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N ILE H 265 " --> pdb=" O LEU H 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER H 272 " --> pdb=" O MET H 263 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'H' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG H 85 " --> pdb=" O VAL H 52 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'H' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL H 150 " --> pdb=" O ASP H 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL H 295 " --> pdb=" O VAL H 150 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ASN H 294 " --> pdb=" O THR H 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR H 228 " --> pdb=" O ASN H 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE H 175 " --> pdb=" O LEU H 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE H 208 " --> pdb=" O LEU H 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER H 206 " --> pdb=" O PRO H 217 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'I' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS I 41 " --> pdb=" O GLY I 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR I 246 " --> pdb=" O HIS I 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR I 43 " --> pdb=" O TYR I 246 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'I' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS I 41 " --> pdb=" O GLY I 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR I 246 " --> pdb=" O HIS I 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR I 43 " --> pdb=" O TYR I 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU I 270 " --> pdb=" O ILE I 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE I 265 " --> pdb=" O LEU I 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER I 272 " --> pdb=" O MET I 263 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'I' and resid 49 through 52 removed outlier: 4.051A pdb=" N ARG I 85 " --> pdb=" O VAL I 52 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'I' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL I 150 " --> pdb=" O ASP I 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL I 295 " --> pdb=" O VAL I 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN I 294 " --> pdb=" O THR I 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR I 228 " --> pdb=" O ASN I 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE I 175 " --> pdb=" O LEU I 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE I 208 " --> pdb=" O LEU I 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER I 206 " --> pdb=" O PRO I 217 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'J' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS J 41 " --> pdb=" O GLY J 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR J 246 " --> pdb=" O HIS J 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR J 43 " --> pdb=" O TYR J 246 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'J' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS J 41 " --> pdb=" O GLY J 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR J 246 " --> pdb=" O HIS J 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR J 43 " --> pdb=" O TYR J 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU J 270 " --> pdb=" O ILE J 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE J 265 " --> pdb=" O LEU J 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER J 272 " --> pdb=" O MET J 263 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'J' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG J 85 " --> pdb=" O VAL J 52 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'J' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL J 150 " --> pdb=" O ASP J 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL J 295 " --> pdb=" O VAL J 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN J 294 " --> pdb=" O THR J 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR J 228 " --> pdb=" O ASN J 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE J 175 " --> pdb=" O LEU J 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE J 208 " --> pdb=" O LEU J 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER J 206 " --> pdb=" O PRO J 217 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'K' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS K 41 " --> pdb=" O GLY K 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR K 246 " --> pdb=" O HIS K 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR K 43 " --> pdb=" O TYR K 246 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'K' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS K 41 " --> pdb=" O GLY K 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR K 246 " --> pdb=" O HIS K 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR K 43 " --> pdb=" O TYR K 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU K 270 " --> pdb=" O ILE K 265 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N ILE K 265 " --> pdb=" O LEU K 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER K 272 " --> pdb=" O MET K 263 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'K' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG K 85 " --> pdb=" O VAL K 52 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'K' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL K 150 " --> pdb=" O ASP K 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL K 295 " --> pdb=" O VAL K 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN K 294 " --> pdb=" O THR K 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR K 228 " --> pdb=" O ASN K 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE K 175 " --> pdb=" O LEU K 233 " (cutoff:3.500A) removed outlier: 4.163A pdb=" N ILE K 208 " --> pdb=" O LEU K 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER K 206 " --> pdb=" O PRO K 217 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'L' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS L 41 " --> pdb=" O GLY L 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR L 246 " --> pdb=" O HIS L 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR L 43 " --> pdb=" O TYR L 246 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'L' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS L 41 " --> pdb=" O GLY L 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR L 246 " --> pdb=" O HIS L 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR L 43 " --> pdb=" O TYR L 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU L 270 " --> pdb=" O ILE L 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE L 265 " --> pdb=" O LEU L 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER L 272 " --> pdb=" O MET L 263 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'L' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG L 85 " --> pdb=" O VAL L 52 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'L' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL L 150 " --> pdb=" O ASP L 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL L 295 " --> pdb=" O VAL L 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN L 294 " --> pdb=" O THR L 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR L 228 " --> pdb=" O ASN L 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE L 175 " --> pdb=" O LEU L 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE L 208 " --> pdb=" O LEU L 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER L 206 " --> pdb=" O PRO L 217 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'M' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS M 41 " --> pdb=" O GLY M 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR M 246 " --> pdb=" O HIS M 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR M 43 " --> pdb=" O TYR M 246 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'M' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS M 41 " --> pdb=" O GLY M 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR M 246 " --> pdb=" O HIS M 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR M 43 " --> pdb=" O TYR M 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU M 270 " --> pdb=" O ILE M 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE M 265 " --> pdb=" O LEU M 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER M 272 " --> pdb=" O MET M 263 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'M' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG M 85 " --> pdb=" O VAL M 52 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'M' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL M 150 " --> pdb=" O ASP M 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL M 295 " --> pdb=" O VAL M 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN M 294 " --> pdb=" O THR M 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR M 228 " --> pdb=" O ASN M 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE M 175 " --> pdb=" O LEU M 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE M 208 " --> pdb=" O LEU M 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER M 206 " --> pdb=" O PRO M 217 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'N' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS N 41 " --> pdb=" O GLY N 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR N 246 " --> pdb=" O HIS N 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR N 43 " --> pdb=" O TYR N 246 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain 'N' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS N 41 " --> pdb=" O GLY N 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR N 246 " --> pdb=" O HIS N 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR N 43 " --> pdb=" O TYR N 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU N 270 " --> pdb=" O ILE N 265 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N ILE N 265 " --> pdb=" O LEU N 270 " (cutoff:3.500A) removed outlier: 6.514A pdb=" N SER N 272 " --> pdb=" O MET N 263 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain 'N' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG N 85 " --> pdb=" O VAL N 52 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain 'N' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL N 150 " --> pdb=" O ASP N 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL N 295 " --> pdb=" O VAL N 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN N 294 " --> pdb=" O THR N 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR N 228 " --> pdb=" O ASN N 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE N 175 " --> pdb=" O LEU N 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE N 208 " --> pdb=" O LEU N 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER N 206 " --> pdb=" O PRO N 217 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain 'O' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS O 41 " --> pdb=" O GLY O 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR O 246 " --> pdb=" O HIS O 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR O 43 " --> pdb=" O TYR O 246 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'O' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS O 41 " --> pdb=" O GLY O 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR O 246 " --> pdb=" O HIS O 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR O 43 " --> pdb=" O TYR O 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU O 270 " --> pdb=" O ILE O 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE O 265 " --> pdb=" O LEU O 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER O 272 " --> pdb=" O MET O 263 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'O' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG O 85 " --> pdb=" O VAL O 52 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain 'O' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL O 150 " --> pdb=" O ASP O 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL O 295 " --> pdb=" O VAL O 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN O 294 " --> pdb=" O THR O 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR O 228 " --> pdb=" O ASN O 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE O 175 " --> pdb=" O LEU O 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE O 208 " --> pdb=" O LEU O 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER O 206 " --> pdb=" O PRO O 217 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain 'P' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS P 41 " --> pdb=" O GLY P 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR P 246 " --> pdb=" O HIS P 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR P 43 " --> pdb=" O TYR P 246 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain 'P' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS P 41 " --> pdb=" O GLY P 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR P 246 " --> pdb=" O HIS P 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR P 43 " --> pdb=" O TYR P 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU P 270 " --> pdb=" O ILE P 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE P 265 " --> pdb=" O LEU P 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER P 272 " --> pdb=" O MET P 263 " (cutoff:3.500A) Processing sheet with id= 63, first strand: chain 'P' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG P 85 " --> pdb=" O VAL P 52 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain 'P' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL P 150 " --> pdb=" O ASP P 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL P 295 " --> pdb=" O VAL P 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN P 294 " --> pdb=" O THR P 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR P 228 " --> pdb=" O ASN P 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE P 175 " --> pdb=" O LEU P 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE P 208 " --> pdb=" O LEU P 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER P 206 " --> pdb=" O PRO P 217 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain 'Q' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS Q 41 " --> pdb=" O GLY Q 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR Q 246 " --> pdb=" O HIS Q 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR Q 43 " --> pdb=" O TYR Q 246 " (cutoff:3.500A) Processing sheet with id= 66, first strand: chain 'Q' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS Q 41 " --> pdb=" O GLY Q 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR Q 246 " --> pdb=" O HIS Q 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR Q 43 " --> pdb=" O TYR Q 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU Q 270 " --> pdb=" O ILE Q 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE Q 265 " --> pdb=" O LEU Q 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER Q 272 " --> pdb=" O MET Q 263 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain 'Q' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG Q 85 " --> pdb=" O VAL Q 52 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'Q' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL Q 150 " --> pdb=" O ASP Q 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL Q 295 " --> pdb=" O VAL Q 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN Q 294 " --> pdb=" O THR Q 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR Q 228 " --> pdb=" O ASN Q 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE Q 175 " --> pdb=" O LEU Q 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE Q 208 " --> pdb=" O LEU Q 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER Q 206 " --> pdb=" O PRO Q 217 " (cutoff:3.500A) Processing sheet with id= 69, first strand: chain 'R' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS R 41 " --> pdb=" O GLY R 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR R 246 " --> pdb=" O HIS R 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR R 43 " --> pdb=" O TYR R 246 " (cutoff:3.500A) Processing sheet with id= 70, first strand: chain 'R' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS R 41 " --> pdb=" O GLY R 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR R 246 " --> pdb=" O HIS R 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR R 43 " --> pdb=" O TYR R 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU R 270 " --> pdb=" O ILE R 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE R 265 " --> pdb=" O LEU R 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER R 272 " --> pdb=" O MET R 263 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain 'R' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG R 85 " --> pdb=" O VAL R 52 " (cutoff:3.500A) Processing sheet with id= 72, first strand: chain 'R' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL R 150 " --> pdb=" O ASP R 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL R 295 " --> pdb=" O VAL R 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN R 294 " --> pdb=" O THR R 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR R 228 " --> pdb=" O ASN R 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE R 175 " --> pdb=" O LEU R 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE R 208 " --> pdb=" O LEU R 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER R 206 " --> pdb=" O PRO R 217 " (cutoff:3.500A) Processing sheet with id= 73, first strand: chain 'S' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS S 41 " --> pdb=" O GLY S 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR S 246 " --> pdb=" O HIS S 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR S 43 " --> pdb=" O TYR S 246 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'S' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS S 41 " --> pdb=" O GLY S 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR S 246 " --> pdb=" O HIS S 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR S 43 " --> pdb=" O TYR S 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU S 270 " --> pdb=" O ILE S 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE S 265 " --> pdb=" O LEU S 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER S 272 " --> pdb=" O MET S 263 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain 'S' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG S 85 " --> pdb=" O VAL S 52 " (cutoff:3.500A) Processing sheet with id= 76, first strand: chain 'S' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL S 150 " --> pdb=" O ASP S 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL S 295 " --> pdb=" O VAL S 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN S 294 " --> pdb=" O THR S 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR S 228 " --> pdb=" O ASN S 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE S 175 " --> pdb=" O LEU S 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE S 208 " --> pdb=" O LEU S 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER S 206 " --> pdb=" O PRO S 217 " (cutoff:3.500A) Processing sheet with id= 77, first strand: chain 'T' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS T 41 " --> pdb=" O GLY T 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR T 246 " --> pdb=" O HIS T 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR T 43 " --> pdb=" O TYR T 246 " (cutoff:3.500A) Processing sheet with id= 78, first strand: chain 'T' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS T 41 " --> pdb=" O GLY T 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR T 246 " --> pdb=" O HIS T 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR T 43 " --> pdb=" O TYR T 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU T 270 " --> pdb=" O ILE T 265 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N ILE T 265 " --> pdb=" O LEU T 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER T 272 " --> pdb=" O MET T 263 " (cutoff:3.500A) Processing sheet with id= 79, first strand: chain 'T' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG T 85 " --> pdb=" O VAL T 52 " (cutoff:3.500A) Processing sheet with id= 80, first strand: chain 'T' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL T 150 " --> pdb=" O ASP T 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL T 295 " --> pdb=" O VAL T 150 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ASN T 294 " --> pdb=" O THR T 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR T 228 " --> pdb=" O ASN T 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE T 175 " --> pdb=" O LEU T 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE T 208 " --> pdb=" O LEU T 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER T 206 " --> pdb=" O PRO T 217 " (cutoff:3.500A) Processing sheet with id= 81, first strand: chain 'U' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS U 41 " --> pdb=" O GLY U 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR U 246 " --> pdb=" O HIS U 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR U 43 " --> pdb=" O TYR U 246 " (cutoff:3.500A) Processing sheet with id= 82, first strand: chain 'U' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS U 41 " --> pdb=" O GLY U 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR U 246 " --> pdb=" O HIS U 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR U 43 " --> pdb=" O TYR U 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU U 270 " --> pdb=" O ILE U 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE U 265 " --> pdb=" O LEU U 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER U 272 " --> pdb=" O MET U 263 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain 'U' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG U 85 " --> pdb=" O VAL U 52 " (cutoff:3.500A) Processing sheet with id= 84, first strand: chain 'U' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL U 150 " --> pdb=" O ASP U 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL U 295 " --> pdb=" O VAL U 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN U 294 " --> pdb=" O THR U 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR U 228 " --> pdb=" O ASN U 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE U 175 " --> pdb=" O LEU U 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE U 208 " --> pdb=" O LEU U 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER U 206 " --> pdb=" O PRO U 217 " (cutoff:3.500A) Processing sheet with id= 85, first strand: chain 'V' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS V 41 " --> pdb=" O GLY V 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR V 246 " --> pdb=" O HIS V 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR V 43 " --> pdb=" O TYR V 246 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain 'V' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS V 41 " --> pdb=" O GLY V 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR V 246 " --> pdb=" O HIS V 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR V 43 " --> pdb=" O TYR V 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU V 270 " --> pdb=" O ILE V 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE V 265 " --> pdb=" O LEU V 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER V 272 " --> pdb=" O MET V 263 " (cutoff:3.500A) Processing sheet with id= 87, first strand: chain 'V' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG V 85 " --> pdb=" O VAL V 52 " (cutoff:3.500A) Processing sheet with id= 88, first strand: chain 'V' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL V 150 " --> pdb=" O ASP V 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL V 295 " --> pdb=" O VAL V 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN V 294 " --> pdb=" O THR V 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR V 228 " --> pdb=" O ASN V 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE V 175 " --> pdb=" O LEU V 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE V 208 " --> pdb=" O LEU V 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER V 206 " --> pdb=" O PRO V 217 " (cutoff:3.500A) Processing sheet with id= 89, first strand: chain 'W' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS W 41 " --> pdb=" O GLY W 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR W 246 " --> pdb=" O HIS W 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR W 43 " --> pdb=" O TYR W 246 " (cutoff:3.500A) Processing sheet with id= 90, first strand: chain 'W' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS W 41 " --> pdb=" O GLY W 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR W 246 " --> pdb=" O HIS W 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR W 43 " --> pdb=" O TYR W 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU W 270 " --> pdb=" O ILE W 265 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N ILE W 265 " --> pdb=" O LEU W 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER W 272 " --> pdb=" O MET W 263 " (cutoff:3.500A) Processing sheet with id= 91, first strand: chain 'W' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG W 85 " --> pdb=" O VAL W 52 " (cutoff:3.500A) Processing sheet with id= 92, first strand: chain 'W' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL W 150 " --> pdb=" O ASP W 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL W 295 " --> pdb=" O VAL W 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN W 294 " --> pdb=" O THR W 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR W 228 " --> pdb=" O ASN W 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE W 175 " --> pdb=" O LEU W 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE W 208 " --> pdb=" O LEU W 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER W 206 " --> pdb=" O PRO W 217 " (cutoff:3.500A) Processing sheet with id= 93, first strand: chain 'X' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS X 41 " --> pdb=" O GLY X 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR X 246 " --> pdb=" O HIS X 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR X 43 " --> pdb=" O TYR X 246 " (cutoff:3.500A) Processing sheet with id= 94, first strand: chain 'X' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS X 41 " --> pdb=" O GLY X 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR X 246 " --> pdb=" O HIS X 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR X 43 " --> pdb=" O TYR X 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU X 270 " --> pdb=" O ILE X 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE X 265 " --> pdb=" O LEU X 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER X 272 " --> pdb=" O MET X 263 " (cutoff:3.500A) Processing sheet with id= 95, first strand: chain 'X' and resid 49 through 52 removed outlier: 4.051A pdb=" N ARG X 85 " --> pdb=" O VAL X 52 " (cutoff:3.500A) Processing sheet with id= 96, first strand: chain 'X' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL X 150 " --> pdb=" O ASP X 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL X 295 " --> pdb=" O VAL X 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN X 294 " --> pdb=" O THR X 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR X 228 " --> pdb=" O ASN X 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE X 175 " --> pdb=" O LEU X 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE X 208 " --> pdb=" O LEU X 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER X 206 " --> pdb=" O PRO X 217 " (cutoff:3.500A) Processing sheet with id= 97, first strand: chain 'Y' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS Y 41 " --> pdb=" O GLY Y 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR Y 246 " --> pdb=" O HIS Y 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR Y 43 " --> pdb=" O TYR Y 246 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain 'Y' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS Y 41 " --> pdb=" O GLY Y 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR Y 246 " --> pdb=" O HIS Y 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR Y 43 " --> pdb=" O TYR Y 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU Y 270 " --> pdb=" O ILE Y 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE Y 265 " --> pdb=" O LEU Y 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER Y 272 " --> pdb=" O MET Y 263 " (cutoff:3.500A) Processing sheet with id= 99, first strand: chain 'Y' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG Y 85 " --> pdb=" O VAL Y 52 " (cutoff:3.500A) Processing sheet with id=100, first strand: chain 'Y' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL Y 150 " --> pdb=" O ASP Y 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL Y 295 " --> pdb=" O VAL Y 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN Y 294 " --> pdb=" O THR Y 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR Y 228 " --> pdb=" O ASN Y 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE Y 175 " --> pdb=" O LEU Y 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE Y 208 " --> pdb=" O LEU Y 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER Y 206 " --> pdb=" O PRO Y 217 " (cutoff:3.500A) Processing sheet with id=101, first strand: chain 'Z' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS Z 41 " --> pdb=" O GLY Z 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR Z 246 " --> pdb=" O HIS Z 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR Z 43 " --> pdb=" O TYR Z 246 " (cutoff:3.500A) Processing sheet with id=102, first strand: chain 'Z' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS Z 41 " --> pdb=" O GLY Z 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR Z 246 " --> pdb=" O HIS Z 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR Z 43 " --> pdb=" O TYR Z 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU Z 270 " --> pdb=" O ILE Z 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE Z 265 " --> pdb=" O LEU Z 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER Z 272 " --> pdb=" O MET Z 263 " (cutoff:3.500A) Processing sheet with id=103, first strand: chain 'Z' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG Z 85 " --> pdb=" O VAL Z 52 " (cutoff:3.500A) Processing sheet with id=104, first strand: chain 'Z' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL Z 150 " --> pdb=" O ASP Z 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL Z 295 " --> pdb=" O VAL Z 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN Z 294 " --> pdb=" O THR Z 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR Z 228 " --> pdb=" O ASN Z 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE Z 175 " --> pdb=" O LEU Z 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE Z 208 " --> pdb=" O LEU Z 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER Z 206 " --> pdb=" O PRO Z 217 " (cutoff:3.500A) Processing sheet with id=105, first strand: chain '0' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS 0 41 " --> pdb=" O GLY 0 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR 0 246 " --> pdb=" O HIS 0 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR 0 43 " --> pdb=" O TYR 0 246 " (cutoff:3.500A) Processing sheet with id=106, first strand: chain '0' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS 0 41 " --> pdb=" O GLY 0 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR 0 246 " --> pdb=" O HIS 0 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR 0 43 " --> pdb=" O TYR 0 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU 0 270 " --> pdb=" O ILE 0 265 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N ILE 0 265 " --> pdb=" O LEU 0 270 " (cutoff:3.500A) removed outlier: 6.514A pdb=" N SER 0 272 " --> pdb=" O MET 0 263 " (cutoff:3.500A) Processing sheet with id=107, first strand: chain '0' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG 0 85 " --> pdb=" O VAL 0 52 " (cutoff:3.500A) Processing sheet with id=108, first strand: chain '0' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL 0 150 " --> pdb=" O ASP 0 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL 0 295 " --> pdb=" O VAL 0 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN 0 294 " --> pdb=" O THR 0 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR 0 228 " --> pdb=" O ASN 0 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE 0 175 " --> pdb=" O LEU 0 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE 0 208 " --> pdb=" O LEU 0 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER 0 206 " --> pdb=" O PRO 0 217 " (cutoff:3.500A) Processing sheet with id=109, first strand: chain '1' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS 1 41 " --> pdb=" O GLY 1 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR 1 246 " --> pdb=" O HIS 1 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR 1 43 " --> pdb=" O TYR 1 246 " (cutoff:3.500A) Processing sheet with id=110, first strand: chain '1' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS 1 41 " --> pdb=" O GLY 1 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR 1 246 " --> pdb=" O HIS 1 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR 1 43 " --> pdb=" O TYR 1 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU 1 270 " --> pdb=" O ILE 1 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE 1 265 " --> pdb=" O LEU 1 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER 1 272 " --> pdb=" O MET 1 263 " (cutoff:3.500A) Processing sheet with id=111, first strand: chain '1' and resid 49 through 52 removed outlier: 4.051A pdb=" N ARG 1 85 " --> pdb=" O VAL 1 52 " (cutoff:3.500A) Processing sheet with id=112, first strand: chain '1' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL 1 150 " --> pdb=" O ASP 1 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL 1 295 " --> pdb=" O VAL 1 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN 1 294 " --> pdb=" O THR 1 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR 1 228 " --> pdb=" O ASN 1 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE 1 175 " --> pdb=" O LEU 1 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE 1 208 " --> pdb=" O LEU 1 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER 1 206 " --> pdb=" O PRO 1 217 " (cutoff:3.500A) Processing sheet with id=113, first strand: chain '2' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS 2 41 " --> pdb=" O GLY 2 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR 2 246 " --> pdb=" O HIS 2 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR 2 43 " --> pdb=" O TYR 2 246 " (cutoff:3.500A) Processing sheet with id=114, first strand: chain '2' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS 2 41 " --> pdb=" O GLY 2 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR 2 246 " --> pdb=" O HIS 2 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR 2 43 " --> pdb=" O TYR 2 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU 2 270 " --> pdb=" O ILE 2 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE 2 265 " --> pdb=" O LEU 2 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER 2 272 " --> pdb=" O MET 2 263 " (cutoff:3.500A) Processing sheet with id=115, first strand: chain '2' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG 2 85 " --> pdb=" O VAL 2 52 " (cutoff:3.500A) Processing sheet with id=116, first strand: chain '2' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL 2 150 " --> pdb=" O ASP 2 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL 2 295 " --> pdb=" O VAL 2 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN 2 294 " --> pdb=" O THR 2 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR 2 228 " --> pdb=" O ASN 2 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE 2 175 " --> pdb=" O LEU 2 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE 2 208 " --> pdb=" O LEU 2 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER 2 206 " --> pdb=" O PRO 2 217 " (cutoff:3.500A) Processing sheet with id=117, first strand: chain '3' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS 3 41 " --> pdb=" O GLY 3 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR 3 246 " --> pdb=" O HIS 3 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR 3 43 " --> pdb=" O TYR 3 246 " (cutoff:3.500A) Processing sheet with id=118, first strand: chain '3' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS 3 41 " --> pdb=" O GLY 3 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR 3 246 " --> pdb=" O HIS 3 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR 3 43 " --> pdb=" O TYR 3 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU 3 270 " --> pdb=" O ILE 3 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE 3 265 " --> pdb=" O LEU 3 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER 3 272 " --> pdb=" O MET 3 263 " (cutoff:3.500A) Processing sheet with id=119, first strand: chain '3' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG 3 85 " --> pdb=" O VAL 3 52 " (cutoff:3.500A) Processing sheet with id=120, first strand: chain '3' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL 3 150 " --> pdb=" O ASP 3 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL 3 295 " --> pdb=" O VAL 3 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN 3 294 " --> pdb=" O THR 3 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR 3 228 " --> pdb=" O ASN 3 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE 3 175 " --> pdb=" O LEU 3 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE 3 208 " --> pdb=" O LEU 3 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER 3 206 " --> pdb=" O PRO 3 217 " (cutoff:3.500A) Processing sheet with id=121, first strand: chain '4' and resid 41 through 44 removed outlier: 6.413A pdb=" N HIS 4 41 " --> pdb=" O GLY 4 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR 4 246 " --> pdb=" O HIS 4 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR 4 43 " --> pdb=" O TYR 4 246 " (cutoff:3.500A) Processing sheet with id=122, first strand: chain '4' and resid 41 through 44 removed outlier: 6.413A pdb=" N HIS 4 41 " --> pdb=" O GLY 4 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR 4 246 " --> pdb=" O HIS 4 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR 4 43 " --> pdb=" O TYR 4 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU 4 270 " --> pdb=" O ILE 4 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE 4 265 " --> pdb=" O LEU 4 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER 4 272 " --> pdb=" O MET 4 263 " (cutoff:3.500A) Processing sheet with id=123, first strand: chain '4' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG 4 85 " --> pdb=" O VAL 4 52 " (cutoff:3.500A) Processing sheet with id=124, first strand: chain '4' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL 4 150 " --> pdb=" O ASP 4 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL 4 295 " --> pdb=" O VAL 4 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN 4 294 " --> pdb=" O THR 4 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR 4 228 " --> pdb=" O ASN 4 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE 4 175 " --> pdb=" O LEU 4 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE 4 208 " --> pdb=" O LEU 4 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER 4 206 " --> pdb=" O PRO 4 217 " (cutoff:3.500A) Processing sheet with id=125, first strand: chain '5' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS 5 41 " --> pdb=" O GLY 5 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR 5 246 " --> pdb=" O HIS 5 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR 5 43 " --> pdb=" O TYR 5 246 " (cutoff:3.500A) Processing sheet with id=126, first strand: chain '5' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS 5 41 " --> pdb=" O GLY 5 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR 5 246 " --> pdb=" O HIS 5 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR 5 43 " --> pdb=" O TYR 5 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU 5 270 " --> pdb=" O ILE 5 265 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N ILE 5 265 " --> pdb=" O LEU 5 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER 5 272 " --> pdb=" O MET 5 263 " (cutoff:3.500A) Processing sheet with id=127, first strand: chain '5' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG 5 85 " --> pdb=" O VAL 5 52 " (cutoff:3.500A) Processing sheet with id=128, first strand: chain '5' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL 5 150 " --> pdb=" O ASP 5 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL 5 295 " --> pdb=" O VAL 5 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN 5 294 " --> pdb=" O THR 5 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR 5 228 " --> pdb=" O ASN 5 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE 5 175 " --> pdb=" O LEU 5 233 " (cutoff:3.500A) removed outlier: 4.163A pdb=" N ILE 5 208 " --> pdb=" O LEU 5 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER 5 206 " --> pdb=" O PRO 5 217 " (cutoff:3.500A) Processing sheet with id=129, first strand: chain '6' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS 6 41 " --> pdb=" O GLY 6 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR 6 246 " --> pdb=" O HIS 6 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR 6 43 " --> pdb=" O TYR 6 246 " (cutoff:3.500A) Processing sheet with id=130, first strand: chain '6' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS 6 41 " --> pdb=" O GLY 6 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR 6 246 " --> pdb=" O HIS 6 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR 6 43 " --> pdb=" O TYR 6 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU 6 270 " --> pdb=" O ILE 6 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE 6 265 " --> pdb=" O LEU 6 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER 6 272 " --> pdb=" O MET 6 263 " (cutoff:3.500A) Processing sheet with id=131, first strand: chain '6' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG 6 85 " --> pdb=" O VAL 6 52 " (cutoff:3.500A) Processing sheet with id=132, first strand: chain '6' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL 6 150 " --> pdb=" O ASP 6 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL 6 295 " --> pdb=" O VAL 6 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN 6 294 " --> pdb=" O THR 6 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR 6 228 " --> pdb=" O ASN 6 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE 6 175 " --> pdb=" O LEU 6 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE 6 208 " --> pdb=" O LEU 6 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER 6 206 " --> pdb=" O PRO 6 217 " (cutoff:3.500A) Processing sheet with id=133, first strand: chain '7' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS 7 41 " --> pdb=" O GLY 7 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR 7 246 " --> pdb=" O HIS 7 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR 7 43 " --> pdb=" O TYR 7 246 " (cutoff:3.500A) Processing sheet with id=134, first strand: chain '7' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS 7 41 " --> pdb=" O GLY 7 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR 7 246 " --> pdb=" O HIS 7 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR 7 43 " --> pdb=" O TYR 7 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU 7 270 " --> pdb=" O ILE 7 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE 7 265 " --> pdb=" O LEU 7 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER 7 272 " --> pdb=" O MET 7 263 " (cutoff:3.500A) Processing sheet with id=135, first strand: chain '7' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG 7 85 " --> pdb=" O VAL 7 52 " (cutoff:3.500A) Processing sheet with id=136, first strand: chain '7' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL 7 150 " --> pdb=" O ASP 7 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL 7 295 " --> pdb=" O VAL 7 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN 7 294 " --> pdb=" O THR 7 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR 7 228 " --> pdb=" O ASN 7 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE 7 175 " --> pdb=" O LEU 7 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE 7 208 " --> pdb=" O LEU 7 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER 7 206 " --> pdb=" O PRO 7 217 " (cutoff:3.500A) Processing sheet with id=137, first strand: chain '8' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS 8 41 " --> pdb=" O GLY 8 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR 8 246 " --> pdb=" O HIS 8 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR 8 43 " --> pdb=" O TYR 8 246 " (cutoff:3.500A) Processing sheet with id=138, first strand: chain '8' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS 8 41 " --> pdb=" O GLY 8 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR 8 246 " --> pdb=" O HIS 8 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR 8 43 " --> pdb=" O TYR 8 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU 8 270 " --> pdb=" O ILE 8 265 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N ILE 8 265 " --> pdb=" O LEU 8 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER 8 272 " --> pdb=" O MET 8 263 " (cutoff:3.500A) Processing sheet with id=139, first strand: chain '8' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG 8 85 " --> pdb=" O VAL 8 52 " (cutoff:3.500A) Processing sheet with id=140, first strand: chain '8' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL 8 150 " --> pdb=" O ASP 8 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL 8 295 " --> pdb=" O VAL 8 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN 8 294 " --> pdb=" O THR 8 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR 8 228 " --> pdb=" O ASN 8 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE 8 175 " --> pdb=" O LEU 8 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE 8 208 " --> pdb=" O LEU 8 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER 8 206 " --> pdb=" O PRO 8 217 " (cutoff:3.500A) Processing sheet with id=141, first strand: chain '9' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS 9 41 " --> pdb=" O GLY 9 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR 9 246 " --> pdb=" O HIS 9 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR 9 43 " --> pdb=" O TYR 9 246 " (cutoff:3.500A) Processing sheet with id=142, first strand: chain '9' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS 9 41 " --> pdb=" O GLY 9 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR 9 246 " --> pdb=" O HIS 9 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR 9 43 " --> pdb=" O TYR 9 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU 9 270 " --> pdb=" O ILE 9 265 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N ILE 9 265 " --> pdb=" O LEU 9 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER 9 272 " --> pdb=" O MET 9 263 " (cutoff:3.500A) Processing sheet with id=143, first strand: chain '9' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG 9 85 " --> pdb=" O VAL 9 52 " (cutoff:3.500A) Processing sheet with id=144, first strand: chain '9' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL 9 150 " --> pdb=" O ASP 9 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL 9 295 " --> pdb=" O VAL 9 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN 9 294 " --> pdb=" O THR 9 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR 9 228 " --> pdb=" O ASN 9 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE 9 175 " --> pdb=" O LEU 9 233 " (cutoff:3.500A) removed outlier: 4.163A pdb=" N ILE 9 208 " --> pdb=" O LEU 9 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER 9 206 " --> pdb=" O PRO 9 217 " (cutoff:3.500A) Processing sheet with id=145, first strand: chain 'a' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS a 41 " --> pdb=" O GLY a 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR a 246 " --> pdb=" O HIS a 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR a 43 " --> pdb=" O TYR a 246 " (cutoff:3.500A) Processing sheet with id=146, first strand: chain 'a' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS a 41 " --> pdb=" O GLY a 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR a 246 " --> pdb=" O HIS a 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR a 43 " --> pdb=" O TYR a 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU a 270 " --> pdb=" O ILE a 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE a 265 " --> pdb=" O LEU a 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER a 272 " --> pdb=" O MET a 263 " (cutoff:3.500A) Processing sheet with id=147, first strand: chain 'a' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG a 85 " --> pdb=" O VAL a 52 " (cutoff:3.500A) Processing sheet with id=148, first strand: chain 'a' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL a 150 " --> pdb=" O ASP a 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL a 295 " --> pdb=" O VAL a 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN a 294 " --> pdb=" O THR a 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR a 228 " --> pdb=" O ASN a 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE a 175 " --> pdb=" O LEU a 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE a 208 " --> pdb=" O LEU a 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER a 206 " --> pdb=" O PRO a 217 " (cutoff:3.500A) Processing sheet with id=149, first strand: chain 'b' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS b 41 " --> pdb=" O GLY b 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR b 246 " --> pdb=" O HIS b 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR b 43 " --> pdb=" O TYR b 246 " (cutoff:3.500A) Processing sheet with id=150, first strand: chain 'b' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS b 41 " --> pdb=" O GLY b 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR b 246 " --> pdb=" O HIS b 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR b 43 " --> pdb=" O TYR b 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU b 270 " --> pdb=" O ILE b 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE b 265 " --> pdb=" O LEU b 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER b 272 " --> pdb=" O MET b 263 " (cutoff:3.500A) Processing sheet with id=151, first strand: chain 'b' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG b 85 " --> pdb=" O VAL b 52 " (cutoff:3.500A) Processing sheet with id=152, first strand: chain 'b' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL b 150 " --> pdb=" O ASP b 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL b 295 " --> pdb=" O VAL b 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN b 294 " --> pdb=" O THR b 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR b 228 " --> pdb=" O ASN b 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE b 175 " --> pdb=" O LEU b 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE b 208 " --> pdb=" O LEU b 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER b 206 " --> pdb=" O PRO b 217 " (cutoff:3.500A) Processing sheet with id=153, first strand: chain 'c' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS c 41 " --> pdb=" O GLY c 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR c 246 " --> pdb=" O HIS c 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR c 43 " --> pdb=" O TYR c 246 " (cutoff:3.500A) Processing sheet with id=154, first strand: chain 'c' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS c 41 " --> pdb=" O GLY c 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR c 246 " --> pdb=" O HIS c 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR c 43 " --> pdb=" O TYR c 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU c 270 " --> pdb=" O ILE c 265 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N ILE c 265 " --> pdb=" O LEU c 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER c 272 " --> pdb=" O MET c 263 " (cutoff:3.500A) Processing sheet with id=155, first strand: chain 'c' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG c 85 " --> pdb=" O VAL c 52 " (cutoff:3.500A) Processing sheet with id=156, first strand: chain 'c' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL c 150 " --> pdb=" O ASP c 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL c 295 " --> pdb=" O VAL c 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN c 294 " --> pdb=" O THR c 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR c 228 " --> pdb=" O ASN c 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE c 175 " --> pdb=" O LEU c 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE c 208 " --> pdb=" O LEU c 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER c 206 " --> pdb=" O PRO c 217 " (cutoff:3.500A) Processing sheet with id=157, first strand: chain 'd' and resid 41 through 44 removed outlier: 6.413A pdb=" N HIS d 41 " --> pdb=" O GLY d 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR d 246 " --> pdb=" O HIS d 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR d 43 " --> pdb=" O TYR d 246 " (cutoff:3.500A) Processing sheet with id=158, first strand: chain 'd' and resid 41 through 44 removed outlier: 6.413A pdb=" N HIS d 41 " --> pdb=" O GLY d 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR d 246 " --> pdb=" O HIS d 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR d 43 " --> pdb=" O TYR d 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU d 270 " --> pdb=" O ILE d 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE d 265 " --> pdb=" O LEU d 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER d 272 " --> pdb=" O MET d 263 " (cutoff:3.500A) Processing sheet with id=159, first strand: chain 'd' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG d 85 " --> pdb=" O VAL d 52 " (cutoff:3.500A) Processing sheet with id=160, first strand: chain 'd' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL d 150 " --> pdb=" O ASP d 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL d 295 " --> pdb=" O VAL d 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN d 294 " --> pdb=" O THR d 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR d 228 " --> pdb=" O ASN d 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE d 175 " --> pdb=" O LEU d 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE d 208 " --> pdb=" O LEU d 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER d 206 " --> pdb=" O PRO d 217 " (cutoff:3.500A) Processing sheet with id=161, first strand: chain 'e' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS e 41 " --> pdb=" O GLY e 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR e 246 " --> pdb=" O HIS e 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR e 43 " --> pdb=" O TYR e 246 " (cutoff:3.500A) Processing sheet with id=162, first strand: chain 'e' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS e 41 " --> pdb=" O GLY e 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR e 246 " --> pdb=" O HIS e 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR e 43 " --> pdb=" O TYR e 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU e 270 " --> pdb=" O ILE e 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE e 265 " --> pdb=" O LEU e 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER e 272 " --> pdb=" O MET e 263 " (cutoff:3.500A) Processing sheet with id=163, first strand: chain 'e' and resid 49 through 52 removed outlier: 4.051A pdb=" N ARG e 85 " --> pdb=" O VAL e 52 " (cutoff:3.500A) Processing sheet with id=164, first strand: chain 'e' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL e 150 " --> pdb=" O ASP e 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL e 295 " --> pdb=" O VAL e 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN e 294 " --> pdb=" O THR e 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR e 228 " --> pdb=" O ASN e 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE e 175 " --> pdb=" O LEU e 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE e 208 " --> pdb=" O LEU e 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER e 206 " --> pdb=" O PRO e 217 " (cutoff:3.500A) Processing sheet with id=165, first strand: chain 'f' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS f 41 " --> pdb=" O GLY f 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR f 246 " --> pdb=" O HIS f 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR f 43 " --> pdb=" O TYR f 246 " (cutoff:3.500A) Processing sheet with id=166, first strand: chain 'f' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS f 41 " --> pdb=" O GLY f 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR f 246 " --> pdb=" O HIS f 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR f 43 " --> pdb=" O TYR f 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU f 270 " --> pdb=" O ILE f 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE f 265 " --> pdb=" O LEU f 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER f 272 " --> pdb=" O MET f 263 " (cutoff:3.500A) Processing sheet with id=167, first strand: chain 'f' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG f 85 " --> pdb=" O VAL f 52 " (cutoff:3.500A) Processing sheet with id=168, first strand: chain 'f' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL f 150 " --> pdb=" O ASP f 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL f 295 " --> pdb=" O VAL f 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN f 294 " --> pdb=" O THR f 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR f 228 " --> pdb=" O ASN f 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE f 175 " --> pdb=" O LEU f 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE f 208 " --> pdb=" O LEU f 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER f 206 " --> pdb=" O PRO f 217 " (cutoff:3.500A) Processing sheet with id=169, first strand: chain 'g' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS g 41 " --> pdb=" O GLY g 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR g 246 " --> pdb=" O HIS g 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR g 43 " --> pdb=" O TYR g 246 " (cutoff:3.500A) Processing sheet with id=170, first strand: chain 'g' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS g 41 " --> pdb=" O GLY g 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR g 246 " --> pdb=" O HIS g 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR g 43 " --> pdb=" O TYR g 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU g 270 " --> pdb=" O ILE g 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE g 265 " --> pdb=" O LEU g 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER g 272 " --> pdb=" O MET g 263 " (cutoff:3.500A) Processing sheet with id=171, first strand: chain 'g' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG g 85 " --> pdb=" O VAL g 52 " (cutoff:3.500A) Processing sheet with id=172, first strand: chain 'g' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL g 150 " --> pdb=" O ASP g 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL g 295 " --> pdb=" O VAL g 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN g 294 " --> pdb=" O THR g 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR g 228 " --> pdb=" O ASN g 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE g 175 " --> pdb=" O LEU g 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE g 208 " --> pdb=" O LEU g 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER g 206 " --> pdb=" O PRO g 217 " (cutoff:3.500A) Processing sheet with id=173, first strand: chain 'h' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS h 41 " --> pdb=" O GLY h 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR h 246 " --> pdb=" O HIS h 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR h 43 " --> pdb=" O TYR h 246 " (cutoff:3.500A) Processing sheet with id=174, first strand: chain 'h' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS h 41 " --> pdb=" O GLY h 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR h 246 " --> pdb=" O HIS h 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR h 43 " --> pdb=" O TYR h 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU h 270 " --> pdb=" O ILE h 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE h 265 " --> pdb=" O LEU h 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER h 272 " --> pdb=" O MET h 263 " (cutoff:3.500A) Processing sheet with id=175, first strand: chain 'h' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG h 85 " --> pdb=" O VAL h 52 " (cutoff:3.500A) Processing sheet with id=176, first strand: chain 'h' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL h 150 " --> pdb=" O ASP h 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL h 295 " --> pdb=" O VAL h 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN h 294 " --> pdb=" O THR h 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR h 228 " --> pdb=" O ASN h 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE h 175 " --> pdb=" O LEU h 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE h 208 " --> pdb=" O LEU h 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER h 206 " --> pdb=" O PRO h 217 " (cutoff:3.500A) Processing sheet with id=177, first strand: chain 'i' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS i 41 " --> pdb=" O GLY i 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR i 246 " --> pdb=" O HIS i 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR i 43 " --> pdb=" O TYR i 246 " (cutoff:3.500A) Processing sheet with id=178, first strand: chain 'i' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS i 41 " --> pdb=" O GLY i 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR i 246 " --> pdb=" O HIS i 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR i 43 " --> pdb=" O TYR i 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU i 270 " --> pdb=" O ILE i 265 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N ILE i 265 " --> pdb=" O LEU i 270 " (cutoff:3.500A) removed outlier: 6.514A pdb=" N SER i 272 " --> pdb=" O MET i 263 " (cutoff:3.500A) Processing sheet with id=179, first strand: chain 'i' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG i 85 " --> pdb=" O VAL i 52 " (cutoff:3.500A) Processing sheet with id=180, first strand: chain 'i' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL i 150 " --> pdb=" O ASP i 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL i 295 " --> pdb=" O VAL i 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN i 294 " --> pdb=" O THR i 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR i 228 " --> pdb=" O ASN i 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE i 175 " --> pdb=" O LEU i 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE i 208 " --> pdb=" O LEU i 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER i 206 " --> pdb=" O PRO i 217 " (cutoff:3.500A) Processing sheet with id=181, first strand: chain 'j' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS j 41 " --> pdb=" O GLY j 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR j 246 " --> pdb=" O HIS j 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR j 43 " --> pdb=" O TYR j 246 " (cutoff:3.500A) Processing sheet with id=182, first strand: chain 'j' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS j 41 " --> pdb=" O GLY j 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR j 246 " --> pdb=" O HIS j 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR j 43 " --> pdb=" O TYR j 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU j 270 " --> pdb=" O ILE j 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE j 265 " --> pdb=" O LEU j 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER j 272 " --> pdb=" O MET j 263 " (cutoff:3.500A) Processing sheet with id=183, first strand: chain 'j' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG j 85 " --> pdb=" O VAL j 52 " (cutoff:3.500A) Processing sheet with id=184, first strand: chain 'j' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL j 150 " --> pdb=" O ASP j 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL j 295 " --> pdb=" O VAL j 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN j 294 " --> pdb=" O THR j 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR j 228 " --> pdb=" O ASN j 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE j 175 " --> pdb=" O LEU j 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE j 208 " --> pdb=" O LEU j 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER j 206 " --> pdb=" O PRO j 217 " (cutoff:3.500A) Processing sheet with id=185, first strand: chain 'k' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS k 41 " --> pdb=" O GLY k 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR k 246 " --> pdb=" O HIS k 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR k 43 " --> pdb=" O TYR k 246 " (cutoff:3.500A) Processing sheet with id=186, first strand: chain 'k' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS k 41 " --> pdb=" O GLY k 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR k 246 " --> pdb=" O HIS k 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR k 43 " --> pdb=" O TYR k 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU k 270 " --> pdb=" O ILE k 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE k 265 " --> pdb=" O LEU k 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER k 272 " --> pdb=" O MET k 263 " (cutoff:3.500A) Processing sheet with id=187, first strand: chain 'k' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG k 85 " --> pdb=" O VAL k 52 " (cutoff:3.500A) Processing sheet with id=188, first strand: chain 'k' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL k 150 " --> pdb=" O ASP k 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL k 295 " --> pdb=" O VAL k 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN k 294 " --> pdb=" O THR k 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR k 228 " --> pdb=" O ASN k 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE k 175 " --> pdb=" O LEU k 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE k 208 " --> pdb=" O LEU k 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER k 206 " --> pdb=" O PRO k 217 " (cutoff:3.500A) Processing sheet with id=189, first strand: chain 'l' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS l 41 " --> pdb=" O GLY l 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR l 246 " --> pdb=" O HIS l 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR l 43 " --> pdb=" O TYR l 246 " (cutoff:3.500A) Processing sheet with id=190, first strand: chain 'l' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS l 41 " --> pdb=" O GLY l 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR l 246 " --> pdb=" O HIS l 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR l 43 " --> pdb=" O TYR l 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU l 270 " --> pdb=" O ILE l 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE l 265 " --> pdb=" O LEU l 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER l 272 " --> pdb=" O MET l 263 " (cutoff:3.500A) Processing sheet with id=191, first strand: chain 'l' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG l 85 " --> pdb=" O VAL l 52 " (cutoff:3.500A) Processing sheet with id=192, first strand: chain 'l' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL l 150 " --> pdb=" O ASP l 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL l 295 " --> pdb=" O VAL l 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN l 294 " --> pdb=" O THR l 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR l 228 " --> pdb=" O ASN l 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE l 175 " --> pdb=" O LEU l 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE l 208 " --> pdb=" O LEU l 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER l 206 " --> pdb=" O PRO l 217 " (cutoff:3.500A) Processing sheet with id=193, first strand: chain 'm' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS m 41 " --> pdb=" O GLY m 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR m 246 " --> pdb=" O HIS m 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR m 43 " --> pdb=" O TYR m 246 " (cutoff:3.500A) Processing sheet with id=194, first strand: chain 'm' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS m 41 " --> pdb=" O GLY m 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR m 246 " --> pdb=" O HIS m 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR m 43 " --> pdb=" O TYR m 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU m 270 " --> pdb=" O ILE m 265 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N ILE m 265 " --> pdb=" O LEU m 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER m 272 " --> pdb=" O MET m 263 " (cutoff:3.500A) Processing sheet with id=195, first strand: chain 'm' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG m 85 " --> pdb=" O VAL m 52 " (cutoff:3.500A) Processing sheet with id=196, first strand: chain 'm' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL m 150 " --> pdb=" O ASP m 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL m 295 " --> pdb=" O VAL m 150 " (cutoff:3.500A) removed outlier: 3.787A pdb=" N ASN m 294 " --> pdb=" O THR m 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR m 228 " --> pdb=" O ASN m 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE m 175 " --> pdb=" O LEU m 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE m 208 " --> pdb=" O LEU m 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER m 206 " --> pdb=" O PRO m 217 " (cutoff:3.500A) Processing sheet with id=197, first strand: chain 'n' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS n 41 " --> pdb=" O GLY n 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR n 246 " --> pdb=" O HIS n 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR n 43 " --> pdb=" O TYR n 246 " (cutoff:3.500A) Processing sheet with id=198, first strand: chain 'n' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS n 41 " --> pdb=" O GLY n 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR n 246 " --> pdb=" O HIS n 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR n 43 " --> pdb=" O TYR n 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU n 270 " --> pdb=" O ILE n 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE n 265 " --> pdb=" O LEU n 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER n 272 " --> pdb=" O MET n 263 " (cutoff:3.500A) Processing sheet with id=199, first strand: chain 'n' and resid 49 through 52 removed outlier: 4.051A pdb=" N ARG n 85 " --> pdb=" O VAL n 52 " (cutoff:3.500A) Processing sheet with id=200, first strand: chain 'n' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL n 150 " --> pdb=" O ASP n 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL n 295 " --> pdb=" O VAL n 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN n 294 " --> pdb=" O THR n 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR n 228 " --> pdb=" O ASN n 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE n 175 " --> pdb=" O LEU n 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE n 208 " --> pdb=" O LEU n 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER n 206 " --> pdb=" O PRO n 217 " (cutoff:3.500A) Processing sheet with id=201, first strand: chain 'o' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS o 41 " --> pdb=" O GLY o 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR o 246 " --> pdb=" O HIS o 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR o 43 " --> pdb=" O TYR o 246 " (cutoff:3.500A) Processing sheet with id=202, first strand: chain 'o' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS o 41 " --> pdb=" O GLY o 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR o 246 " --> pdb=" O HIS o 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR o 43 " --> pdb=" O TYR o 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU o 270 " --> pdb=" O ILE o 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE o 265 " --> pdb=" O LEU o 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER o 272 " --> pdb=" O MET o 263 " (cutoff:3.500A) Processing sheet with id=203, first strand: chain 'o' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG o 85 " --> pdb=" O VAL o 52 " (cutoff:3.500A) Processing sheet with id=204, first strand: chain 'o' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL o 150 " --> pdb=" O ASP o 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL o 295 " --> pdb=" O VAL o 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN o 294 " --> pdb=" O THR o 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR o 228 " --> pdb=" O ASN o 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE o 175 " --> pdb=" O LEU o 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE o 208 " --> pdb=" O LEU o 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER o 206 " --> pdb=" O PRO o 217 " (cutoff:3.500A) Processing sheet with id=205, first strand: chain 'p' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS p 41 " --> pdb=" O GLY p 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR p 246 " --> pdb=" O HIS p 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR p 43 " --> pdb=" O TYR p 246 " (cutoff:3.500A) Processing sheet with id=206, first strand: chain 'p' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS p 41 " --> pdb=" O GLY p 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR p 246 " --> pdb=" O HIS p 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR p 43 " --> pdb=" O TYR p 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU p 270 " --> pdb=" O ILE p 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE p 265 " --> pdb=" O LEU p 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER p 272 " --> pdb=" O MET p 263 " (cutoff:3.500A) Processing sheet with id=207, first strand: chain 'p' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG p 85 " --> pdb=" O VAL p 52 " (cutoff:3.500A) Processing sheet with id=208, first strand: chain 'p' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL p 150 " --> pdb=" O ASP p 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL p 295 " --> pdb=" O VAL p 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN p 294 " --> pdb=" O THR p 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR p 228 " --> pdb=" O ASN p 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE p 175 " --> pdb=" O LEU p 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE p 208 " --> pdb=" O LEU p 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER p 206 " --> pdb=" O PRO p 217 " (cutoff:3.500A) Processing sheet with id=209, first strand: chain 'q' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS q 41 " --> pdb=" O GLY q 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR q 246 " --> pdb=" O HIS q 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR q 43 " --> pdb=" O TYR q 246 " (cutoff:3.500A) Processing sheet with id=210, first strand: chain 'q' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS q 41 " --> pdb=" O GLY q 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR q 246 " --> pdb=" O HIS q 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR q 43 " --> pdb=" O TYR q 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU q 270 " --> pdb=" O ILE q 265 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N ILE q 265 " --> pdb=" O LEU q 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER q 272 " --> pdb=" O MET q 263 " (cutoff:3.500A) Processing sheet with id=211, first strand: chain 'q' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG q 85 " --> pdb=" O VAL q 52 " (cutoff:3.500A) Processing sheet with id=212, first strand: chain 'q' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL q 150 " --> pdb=" O ASP q 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL q 295 " --> pdb=" O VAL q 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN q 294 " --> pdb=" O THR q 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR q 228 " --> pdb=" O ASN q 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE q 175 " --> pdb=" O LEU q 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE q 208 " --> pdb=" O LEU q 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER q 206 " --> pdb=" O PRO q 217 " (cutoff:3.500A) Processing sheet with id=213, first strand: chain 'r' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS r 41 " --> pdb=" O GLY r 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR r 246 " --> pdb=" O HIS r 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR r 43 " --> pdb=" O TYR r 246 " (cutoff:3.500A) Processing sheet with id=214, first strand: chain 'r' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS r 41 " --> pdb=" O GLY r 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR r 246 " --> pdb=" O HIS r 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR r 43 " --> pdb=" O TYR r 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU r 270 " --> pdb=" O ILE r 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE r 265 " --> pdb=" O LEU r 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER r 272 " --> pdb=" O MET r 263 " (cutoff:3.500A) Processing sheet with id=215, first strand: chain 'r' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG r 85 " --> pdb=" O VAL r 52 " (cutoff:3.500A) Processing sheet with id=216, first strand: chain 'r' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL r 150 " --> pdb=" O ASP r 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL r 295 " --> pdb=" O VAL r 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN r 294 " --> pdb=" O THR r 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR r 228 " --> pdb=" O ASN r 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE r 175 " --> pdb=" O LEU r 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE r 208 " --> pdb=" O LEU r 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER r 206 " --> pdb=" O PRO r 217 " (cutoff:3.500A) Processing sheet with id=217, first strand: chain 's' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS s 41 " --> pdb=" O GLY s 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR s 246 " --> pdb=" O HIS s 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR s 43 " --> pdb=" O TYR s 246 " (cutoff:3.500A) Processing sheet with id=218, first strand: chain 's' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS s 41 " --> pdb=" O GLY s 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR s 246 " --> pdb=" O HIS s 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR s 43 " --> pdb=" O TYR s 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU s 270 " --> pdb=" O ILE s 265 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N ILE s 265 " --> pdb=" O LEU s 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER s 272 " --> pdb=" O MET s 263 " (cutoff:3.500A) Processing sheet with id=219, first strand: chain 's' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG s 85 " --> pdb=" O VAL s 52 " (cutoff:3.500A) Processing sheet with id=220, first strand: chain 's' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL s 150 " --> pdb=" O ASP s 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL s 295 " --> pdb=" O VAL s 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN s 294 " --> pdb=" O THR s 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR s 228 " --> pdb=" O ASN s 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE s 175 " --> pdb=" O LEU s 233 " (cutoff:3.500A) removed outlier: 4.163A pdb=" N ILE s 208 " --> pdb=" O LEU s 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER s 206 " --> pdb=" O PRO s 217 " (cutoff:3.500A) Processing sheet with id=221, first strand: chain 't' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS t 41 " --> pdb=" O GLY t 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR t 246 " --> pdb=" O HIS t 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR t 43 " --> pdb=" O TYR t 246 " (cutoff:3.500A) Processing sheet with id=222, first strand: chain 't' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS t 41 " --> pdb=" O GLY t 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR t 246 " --> pdb=" O HIS t 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR t 43 " --> pdb=" O TYR t 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU t 270 " --> pdb=" O ILE t 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE t 265 " --> pdb=" O LEU t 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER t 272 " --> pdb=" O MET t 263 " (cutoff:3.500A) Processing sheet with id=223, first strand: chain 't' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG t 85 " --> pdb=" O VAL t 52 " (cutoff:3.500A) Processing sheet with id=224, first strand: chain 't' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL t 150 " --> pdb=" O ASP t 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL t 295 " --> pdb=" O VAL t 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN t 294 " --> pdb=" O THR t 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR t 228 " --> pdb=" O ASN t 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE t 175 " --> pdb=" O LEU t 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE t 208 " --> pdb=" O LEU t 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER t 206 " --> pdb=" O PRO t 217 " (cutoff:3.500A) Processing sheet with id=225, first strand: chain 'u' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS u 41 " --> pdb=" O GLY u 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR u 246 " --> pdb=" O HIS u 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR u 43 " --> pdb=" O TYR u 246 " (cutoff:3.500A) Processing sheet with id=226, first strand: chain 'u' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS u 41 " --> pdb=" O GLY u 244 " (cutoff:3.500A) removed outlier: 7.686A pdb=" N TYR u 246 " --> pdb=" O HIS u 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR u 43 " --> pdb=" O TYR u 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU u 270 " --> pdb=" O ILE u 265 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N ILE u 265 " --> pdb=" O LEU u 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER u 272 " --> pdb=" O MET u 263 " (cutoff:3.500A) Processing sheet with id=227, first strand: chain 'u' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG u 85 " --> pdb=" O VAL u 52 " (cutoff:3.500A) Processing sheet with id=228, first strand: chain 'u' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL u 150 " --> pdb=" O ASP u 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL u 295 " --> pdb=" O VAL u 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN u 294 " --> pdb=" O THR u 228 " (cutoff:3.500A) removed outlier: 6.225A pdb=" N THR u 228 " --> pdb=" O ASN u 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE u 175 " --> pdb=" O LEU u 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE u 208 " --> pdb=" O LEU u 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER u 206 " --> pdb=" O PRO u 217 " (cutoff:3.500A) Processing sheet with id=229, first strand: chain 'v' and resid 41 through 44 removed outlier: 6.413A pdb=" N HIS v 41 " --> pdb=" O GLY v 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR v 246 " --> pdb=" O HIS v 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR v 43 " --> pdb=" O TYR v 246 " (cutoff:3.500A) Processing sheet with id=230, first strand: chain 'v' and resid 41 through 44 removed outlier: 6.413A pdb=" N HIS v 41 " --> pdb=" O GLY v 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR v 246 " --> pdb=" O HIS v 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR v 43 " --> pdb=" O TYR v 246 " (cutoff:3.500A) removed outlier: 6.180A pdb=" N LEU v 270 " --> pdb=" O ILE v 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE v 265 " --> pdb=" O LEU v 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER v 272 " --> pdb=" O MET v 263 " (cutoff:3.500A) Processing sheet with id=231, first strand: chain 'v' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG v 85 " --> pdb=" O VAL v 52 " (cutoff:3.500A) Processing sheet with id=232, first strand: chain 'v' and resid 149 through 151 removed outlier: 6.675A pdb=" N VAL v 150 " --> pdb=" O ASP v 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL v 295 " --> pdb=" O VAL v 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN v 294 " --> pdb=" O THR v 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR v 228 " --> pdb=" O ASN v 294 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N PHE v 175 " --> pdb=" O LEU v 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE v 208 " --> pdb=" O LEU v 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER v 206 " --> pdb=" O PRO v 217 " (cutoff:3.500A) Processing sheet with id=233, first strand: chain 'w' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS w 41 " --> pdb=" O GLY w 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR w 246 " --> pdb=" O HIS w 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR w 43 " --> pdb=" O TYR w 246 " (cutoff:3.500A) Processing sheet with id=234, first strand: chain 'w' and resid 41 through 44 removed outlier: 6.412A pdb=" N HIS w 41 " --> pdb=" O GLY w 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR w 246 " --> pdb=" O HIS w 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR w 43 " --> pdb=" O TYR w 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU w 270 " --> pdb=" O ILE w 265 " (cutoff:3.500A) removed outlier: 4.288A pdb=" N ILE w 265 " --> pdb=" O LEU w 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER w 272 " --> pdb=" O MET w 263 " (cutoff:3.500A) Processing sheet with id=235, first strand: chain 'w' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG w 85 " --> pdb=" O VAL w 52 " (cutoff:3.500A) Processing sheet with id=236, first strand: chain 'w' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL w 150 " --> pdb=" O ASP w 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL w 295 " --> pdb=" O VAL w 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN w 294 " --> pdb=" O THR w 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR w 228 " --> pdb=" O ASN w 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE w 175 " --> pdb=" O LEU w 233 " (cutoff:3.500A) removed outlier: 4.163A pdb=" N ILE w 208 " --> pdb=" O LEU w 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER w 206 " --> pdb=" O PRO w 217 " (cutoff:3.500A) Processing sheet with id=237, first strand: chain 'x' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS x 41 " --> pdb=" O GLY x 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR x 246 " --> pdb=" O HIS x 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR x 43 " --> pdb=" O TYR x 246 " (cutoff:3.500A) Processing sheet with id=238, first strand: chain 'x' and resid 41 through 44 removed outlier: 6.411A pdb=" N HIS x 41 " --> pdb=" O GLY x 244 " (cutoff:3.500A) removed outlier: 7.685A pdb=" N TYR x 246 " --> pdb=" O HIS x 41 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N THR x 43 " --> pdb=" O TYR x 246 " (cutoff:3.500A) removed outlier: 6.181A pdb=" N LEU x 270 " --> pdb=" O ILE x 265 " (cutoff:3.500A) removed outlier: 4.287A pdb=" N ILE x 265 " --> pdb=" O LEU x 270 " (cutoff:3.500A) removed outlier: 6.515A pdb=" N SER x 272 " --> pdb=" O MET x 263 " (cutoff:3.500A) Processing sheet with id=239, first strand: chain 'x' and resid 49 through 52 removed outlier: 4.050A pdb=" N ARG x 85 " --> pdb=" O VAL x 52 " (cutoff:3.500A) Processing sheet with id=240, first strand: chain 'x' and resid 149 through 151 removed outlier: 6.676A pdb=" N VAL x 150 " --> pdb=" O ASP x 293 " (cutoff:3.500A) removed outlier: 7.486A pdb=" N VAL x 295 " --> pdb=" O VAL x 150 " (cutoff:3.500A) removed outlier: 3.786A pdb=" N ASN x 294 " --> pdb=" O THR x 228 " (cutoff:3.500A) removed outlier: 6.226A pdb=" N THR x 228 " --> pdb=" O ASN x 294 " (cutoff:3.500A) removed outlier: 3.513A pdb=" N PHE x 175 " --> pdb=" O LEU x 233 " (cutoff:3.500A) removed outlier: 4.162A pdb=" N ILE x 208 " --> pdb=" O LEU x 215 " (cutoff:3.500A) removed outlier: 11.098A pdb=" N SER x 206 " --> pdb=" O PRO x 217 " (cutoff:3.500A) 5400 hydrogen bonds defined for protein. 15660 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: 96.03 Time building geometry restraints manager: 44.97 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.22 - 1.34: 44460 1.34 - 1.45: 14185 1.45 - 1.57: 77135 1.57 - 1.68: 0 1.68 - 1.80: 480 Bond restraints: 136260 Sorted by residual: bond pdb=" CG PRO U 33 " pdb=" CD PRO U 33 " ideal model delta sigma weight residual 1.503 1.464 0.039 3.40e-02 8.65e+02 1.34e+00 bond pdb=" CG PRO 3 33 " pdb=" CD PRO 3 33 " ideal model delta sigma weight residual 1.503 1.464 0.039 3.40e-02 8.65e+02 1.34e+00 bond pdb=" CG PRO 6 33 " pdb=" CD PRO 6 33 " ideal model delta sigma weight residual 1.503 1.464 0.039 3.40e-02 8.65e+02 1.34e+00 bond pdb=" CG PRO g 33 " pdb=" CD PRO g 33 " ideal model delta sigma weight residual 1.503 1.464 0.039 3.40e-02 8.65e+02 1.34e+00 bond pdb=" CG PRO k 33 " pdb=" CD PRO k 33 " ideal model delta sigma weight residual 1.503 1.464 0.039 3.40e-02 8.65e+02 1.34e+00 ... (remaining 136255 not shown) Histogram of bond angle deviations from ideal: 99.77 - 106.63: 4200 106.63 - 113.49: 76721 113.49 - 120.35: 49734 120.35 - 127.21: 53477 127.21 - 134.07: 1568 Bond angle restraints: 185700 Sorted by residual: angle pdb=" C ARG w 193 " pdb=" N GLY w 194 " pdb=" CA GLY w 194 " ideal model delta sigma weight residual 122.46 114.41 8.05 2.90e+00 1.19e-01 7.70e+00 angle pdb=" C ARG f 193 " pdb=" N GLY f 194 " pdb=" CA GLY f 194 " ideal model delta sigma weight residual 122.46 114.41 8.05 2.90e+00 1.19e-01 7.70e+00 angle pdb=" C ARG J 193 " pdb=" N GLY J 194 " pdb=" CA GLY J 194 " ideal model delta sigma weight residual 122.46 114.41 8.05 2.90e+00 1.19e-01 7.70e+00 angle pdb=" C ARG Y 193 " pdb=" N GLY Y 194 " pdb=" CA GLY Y 194 " ideal model delta sigma weight residual 122.46 114.41 8.05 2.90e+00 1.19e-01 7.70e+00 angle pdb=" C ARG K 193 " pdb=" N GLY K 194 " pdb=" CA GLY K 194 " ideal model delta sigma weight residual 122.46 114.41 8.05 2.90e+00 1.19e-01 7.70e+00 ... (remaining 185695 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 17.60: 76270 17.60 - 35.21: 4850 35.21 - 52.81: 1020 52.81 - 70.42: 120 70.42 - 88.02: 180 Dihedral angle restraints: 82440 sinusoidal: 33420 harmonic: 49020 Sorted by residual: dihedral pdb=" CA LEU 6 233 " pdb=" C LEU 6 233 " pdb=" N ARG 6 234 " pdb=" CA ARG 6 234 " ideal model delta harmonic sigma weight residual 180.00 159.36 20.64 0 5.00e+00 4.00e-02 1.70e+01 dihedral pdb=" CA LEU x 233 " pdb=" C LEU x 233 " pdb=" N ARG x 234 " pdb=" CA ARG x 234 " ideal model delta harmonic sigma weight residual 180.00 159.36 20.64 0 5.00e+00 4.00e-02 1.70e+01 dihedral pdb=" CA LEU L 233 " pdb=" C LEU L 233 " pdb=" N ARG L 234 " pdb=" CA ARG L 234 " ideal model delta harmonic sigma weight residual 180.00 159.36 20.64 0 5.00e+00 4.00e-02 1.70e+01 ... (remaining 82437 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.033: 10793 0.033 - 0.065: 6891 0.065 - 0.097: 2371 0.097 - 0.130: 1245 0.130 - 0.162: 180 Chirality restraints: 21480 Sorted by residual: chirality pdb=" CA PRO F 248 " pdb=" N PRO F 248 " pdb=" C PRO F 248 " pdb=" CB PRO F 248 " both_signs ideal model delta sigma weight residual False 2.72 2.56 0.16 2.00e-01 2.50e+01 6.58e-01 chirality pdb=" CA PRO g 248 " pdb=" N PRO g 248 " pdb=" C PRO g 248 " pdb=" CB PRO g 248 " both_signs ideal model delta sigma weight residual False 2.72 2.56 0.16 2.00e-01 2.50e+01 6.58e-01 chirality pdb=" CA PRO R 248 " pdb=" N PRO R 248 " pdb=" C PRO R 248 " pdb=" CB PRO R 248 " both_signs ideal model delta sigma weight residual False 2.72 2.56 0.16 2.00e-01 2.50e+01 6.58e-01 ... (remaining 21477 not shown) Planarity restraints: 24000 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C HIS u 179 " -0.032 5.00e-02 4.00e+02 4.75e-02 3.61e+00 pdb=" N PRO u 180 " 0.082 5.00e-02 4.00e+02 pdb=" CA PRO u 180 " -0.024 5.00e-02 4.00e+02 pdb=" CD PRO u 180 " -0.027 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C HIS 8 179 " 0.032 5.00e-02 4.00e+02 4.75e-02 3.61e+00 pdb=" N PRO 8 180 " -0.082 5.00e-02 4.00e+02 pdb=" CA PRO 8 180 " 0.024 5.00e-02 4.00e+02 pdb=" CD PRO 8 180 " 0.027 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C HIS W 179 " -0.032 5.00e-02 4.00e+02 4.75e-02 3.61e+00 pdb=" N PRO W 180 " 0.082 5.00e-02 4.00e+02 pdb=" CA PRO W 180 " -0.024 5.00e-02 4.00e+02 pdb=" CD PRO W 180 " -0.027 5.00e-02 4.00e+02 ... (remaining 23997 not shown) Histogram of nonbonded interaction distances: 1.48 - 2.17: 60 2.17 - 2.85: 43231 2.85 - 3.53: 166258 3.53 - 4.22: 329250 4.22 - 4.90: 576306 Nonbonded interactions: 1115105 Sorted by model distance: nonbonded pdb=" NH2 ARG P 29 " pdb=" OD1 ASP T 286 " model vdw 1.483 2.520 nonbonded pdb=" OD1 ASP W 286 " pdb=" NH2 ARG X 29 " model vdw 1.483 2.520 nonbonded pdb=" OD1 ASP q 286 " pdb=" NH2 ARG r 29 " model vdw 1.483 2.520 nonbonded pdb=" OD1 ASP u 286 " pdb=" NH2 ARG v 29 " model vdw 1.483 2.520 nonbonded pdb=" OD1 ASP N 286 " pdb=" NH2 ARG O 29 " model vdw 1.483 2.520 ... (remaining 1115100 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 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: 0.010 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 2.180 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: 0.140 Extract box with map and model: 18.620 Check model and map are aligned: 1.520 Set scattering table: 0.900 Process input model: 308.720 Find NCS groups from input model: 7.710 Set up NCS constraints: 1.630 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.030 Load rotamer database and sin/cos tables:11.960 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 353.420 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8551 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 : 0.007 0.041 136260 Z= 0.460 Angle : 0.679 8.046 185700 Z= 0.372 Chirality : 0.050 0.162 21480 Planarity : 0.006 0.048 24000 Dihedral : 12.895 88.024 50760 Min Nonbonded Distance : 1.483 Molprobity Statistics. All-atom Clashscore : 6.41 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.43 % Favored : 94.57 % Rotamer Outliers : 0.41 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 5.88 % 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: -0.76 (0.06), residues: 16560 helix: -0.68 (0.07), residues: 4200 sheet: 0.58 (0.07), residues: 3780 loop : -0.86 (0.06), residues: 8580 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 33120 Ramachandran restraints generated. 16560 Oldfield, 0 Emsley, 16560 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 33120 Ramachandran restraints generated. 16560 Oldfield, 0 Emsley, 16560 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1524 residues out of total 14580 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 60 poor density : 1464 time to evaluate : 12.227 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 outliers start: 60 outliers final: 0 residues processed: 1464 average time/residue: 2.8946 time to fit residues: 5483.4655 Evaluate side-chains 979 residues out of total 14580 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 979 time to evaluate : 12.251 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 16.5813 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1680 random chunks: chunk 1418 optimal weight: 0.0030 chunk 1273 optimal weight: 2.9990 chunk 706 optimal weight: 5.9990 chunk 434 optimal weight: 0.7980 chunk 858 optimal weight: 4.9990 chunk 680 optimal weight: 7.9990 chunk 1316 optimal weight: 5.9990 chunk 509 optimal weight: 7.9990 chunk 800 optimal weight: 7.9990 chunk 980 optimal weight: 7.9990 chunk 1525 optimal weight: 2.9990 overall best weight: 2.3596 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: C 20 ASN D 254 GLN I 20 ASN J 254 GLN K 254 GLN O 20 ASN P 20 ASN Q 254 GLN X 20 ASN Y 254 GLN 1 20 ASN 2 254 GLN 4 20 ASN 5 254 GLN 9 254 GLN d 20 ASN e 20 ASN f 254 GLN j 254 GLN n 20 ASN r 20 ASN s 254 GLN v 20 ASN w 254 GLN Total number of N/Q/H flips: 24 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8525 moved from start: 0.1420 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.027 136260 Z= 0.245 Angle : 0.553 5.992 185700 Z= 0.282 Chirality : 0.045 0.141 21480 Planarity : 0.006 0.048 24000 Dihedral : 5.307 20.202 18720 Min Nonbonded Distance : 2.269 Molprobity Statistics. All-atom Clashscore : 5.01 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.75 % Favored : 95.25 % Rotamer Outliers : 1.28 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 5.88 % 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: -0.48 (0.06), residues: 16560 helix: -0.00 (0.07), residues: 4260 sheet: 0.58 (0.07), residues: 3780 loop : -0.86 (0.06), residues: 8520 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 33120 Ramachandran restraints generated. 16560 Oldfield, 0 Emsley, 16560 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 33120 Ramachandran restraints generated. 16560 Oldfield, 0 Emsley, 16560 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1332 residues out of total 14580 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 186 poor density : 1146 time to evaluate : 12.217 Fit side-chains outliers start: 186 outliers final: 36 residues processed: 1296 average time/residue: 2.7224 time to fit residues: 4651.6248 Evaluate side-chains 1105 residues out of total 14580 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 36 poor density : 1069 time to evaluate : 12.192 Switching outliers to nearest non-outliers outliers start: 36 outliers final: 36 residues processed: 0 time to fit residues: 16.1904 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1680 random chunks: chunk 847 optimal weight: 8.9990 chunk 473 optimal weight: 3.9990 chunk 1269 optimal weight: 3.9990 chunk 1038 optimal weight: 5.9990 chunk 420 optimal weight: 3.9990 chunk 1528 optimal weight: 8.9990 chunk 1651 optimal weight: 0.8980 chunk 1361 optimal weight: 10.0000 chunk 1515 optimal weight: 0.9990 chunk 521 optimal weight: 9.9990 chunk 1226 optimal weight: 6.9990 overall best weight: 2.7788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 54 GLN D 254 GLN E 20 ASN F 20 ASN H 54 GLN J 254 GLN K 254 GLN N 54 GLN Q 254 GLN R 20 ASN T 54 GLN U 20 ASN W 54 GLN Y 254 GLN 0 54 GLN 2 254 GLN 3 20 ASN 5 254 GLN 6 20 ASN 8 54 GLN 9 254 GLN a 20 ASN c 54 GLN f 254 GLN g 20 ASN i 54 GLN j 254 GLN k 20 ASN m 54 GLN q 54 GLN s 254 GLN u 54 GLN w 254 GLN x 20 ASN Total number of N/Q/H flips: 34 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8528 moved from start: 0.1650 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.028 136260 Z= 0.276 Angle : 0.559 6.791 185700 Z= 0.282 Chirality : 0.045 0.140 21480 Planarity : 0.006 0.048 24000 Dihedral : 5.263 20.239 18720 Min Nonbonded Distance : 2.268 Molprobity Statistics. All-atom Clashscore : 4.94 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.80 % Favored : 94.20 % Rotamer Outliers : 1.89 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 5.88 % 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: -0.35 (0.06), residues: 16560 helix: 0.29 (0.07), residues: 4260 sheet: 0.63 (0.07), residues: 3780 loop : -0.88 (0.06), residues: 8520 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 33120 Ramachandran restraints generated. 16560 Oldfield, 0 Emsley, 16560 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 33120 Ramachandran restraints generated. 16560 Oldfield, 0 Emsley, 16560 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1408 residues out of total 14580 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 276 poor density : 1132 time to evaluate : 12.119 Fit side-chains outliers start: 276 outliers final: 120 residues processed: 1360 average time/residue: 2.7849 time to fit residues: 4982.4704 Evaluate side-chains 1196 residues out of total 14580 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 120 poor density : 1076 time to evaluate : 11.170 Switching outliers to nearest non-outliers outliers start: 120 outliers final: 96 residues processed: 24 average time/residue: 2.3477 time to fit residues: 89.8395 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1680 random chunks: chunk 1510 optimal weight: 7.9990 chunk 1149 optimal weight: 9.9990 chunk 793 optimal weight: 10.0000 chunk 169 optimal weight: 8.9990 chunk 729 optimal weight: 4.9990 chunk 1026 optimal weight: 2.9990 chunk 1533 optimal weight: 0.6980 chunk 1623 optimal weight: 5.9990 chunk 801 optimal weight: 20.0000 chunk 1453 optimal weight: 6.9990 chunk 437 optimal weight: 6.9990 overall best weight: 4.3388 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 54 GLN B 247 GLN H 54 GLN N 54 GLN T 54 GLN T 247 GLN W 54 GLN Y 254 GLN 0 54 GLN 0 247 GLN 2 254 GLN 5 254 GLN 8 54 GLN 8 247 GLN 9 254 GLN c 54 GLN f 254 GLN i 54 GLN i 247 GLN m 54 GLN m 247 GLN q 54 GLN q 247 GLN u 54 GLN w 254 GLN Total number of N/Q/H flips: 25 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8553 moved from start: 0.1667 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 0.039 136260 Z= 0.403 Angle : 0.640 8.484 185700 Z= 0.321 Chirality : 0.048 0.158 21480 Planarity : 0.006 0.051 24000 Dihedral : 5.553 20.467 18720 Min Nonbonded Distance : 2.235 Molprobity Statistics. All-atom Clashscore : 4.99 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.65 % Favored : 94.35 % Rotamer Outliers : 1.98 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 5.88 % 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: -0.45 (0.06), residues: 16560 helix: 0.23 (0.07), residues: 4260 sheet: 0.63 (0.07), residues: 3780 loop : -1.00 (0.06), residues: 8520 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 33120 Ramachandran restraints generated. 16560 Oldfield, 0 Emsley, 16560 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 33120 Ramachandran restraints generated. 16560 Oldfield, 0 Emsley, 16560 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1331 residues out of total 14580 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 288 poor density : 1043 time to evaluate : 12.506 Fit side-chains outliers start: 288 outliers final: 168 residues processed: 1247 average time/residue: 2.8779 time to fit residues: 4697.3663 Evaluate side-chains 1205 residues out of total 14580 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 168 poor density : 1037 time to evaluate : 12.196 Switching outliers to nearest non-outliers outliers start: 168 outliers final: 132 residues processed: 36 average time/residue: 2.5903 time to fit residues: 141.2686 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1680 random chunks: chunk 1352 optimal weight: 6.9990 chunk 921 optimal weight: 1.9990 chunk 23 optimal weight: 8.9990 chunk 1209 optimal weight: 2.9990 chunk 670 optimal weight: 5.9990 chunk 1385 optimal weight: 0.7980 chunk 1122 optimal weight: 3.9990 chunk 1 optimal weight: 0.0040 chunk 829 optimal weight: 4.9990 chunk 1457 optimal weight: 3.9990 chunk 409 optimal weight: 0.7980 overall best weight: 1.3196 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: N 254 GLN W 254 GLN Y 254 GLN 0 254 GLN 2 254 GLN 5 254 GLN 9 254 GLN c 254 GLN f 254 GLN i 254 GLN m 254 GLN u 254 GLN w 254 GLN Total number of N/Q/H flips: 13 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8485 moved from start: 0.1919 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.022 136260 Z= 0.165 Angle : 0.477 3.879 185700 Z= 0.246 Chirality : 0.043 0.133 21480 Planarity : 0.005 0.047 24000 Dihedral : 4.898 18.422 18720 Min Nonbonded Distance : 2.264 Molprobity Statistics. All-atom Clashscore : 5.25 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.40 % Favored : 95.60 % Rotamer Outliers : 1.45 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 5.88 % 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: -0.09 (0.06), residues: 16560 helix: 0.71 (0.07), residues: 4260 sheet: 0.79 (0.07), residues: 3780 loop : -0.85 (0.06), residues: 8520 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 33120 Ramachandran restraints generated. 16560 Oldfield, 0 Emsley, 16560 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 33120 Ramachandran restraints generated. 16560 Oldfield, 0 Emsley, 16560 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1350 residues out of total 14580 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 212 poor density : 1138 time to evaluate : 12.370 Fit side-chains outliers start: 212 outliers final: 126 residues processed: 1301 average time/residue: 2.7393 time to fit residues: 4703.2837 Evaluate side-chains 1181 residues out of total 14580 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 126 poor density : 1055 time to evaluate : 12.251 Switching outliers to nearest non-outliers outliers start: 126 outliers final: 115 residues processed: 11 average time/residue: 2.1752 time to fit residues: 48.4621 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1680 random chunks: chunk 546 optimal weight: 5.9990 chunk 1462 optimal weight: 5.9990 chunk 320 optimal weight: 5.9990 chunk 953 optimal weight: 10.0000 chunk 400 optimal weight: 9.9990 chunk 1625 optimal weight: 10.0000 chunk 1349 optimal weight: 0.9980 chunk 752 optimal weight: 7.9990 chunk 135 optimal weight: 9.9990 chunk 537 optimal weight: 0.5980 chunk 853 optimal weight: 1.9990 overall best weight: 3.1186 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 20 ASN D 254 GLN H 20 ASN J 254 GLN K 254 GLN N 20 ASN Q 254 GLN T 20 ASN W 20 ASN Y 254 GLN 0 20 ASN 2 254 GLN 5 254 GLN 8 20 ASN 9 254 GLN c 20 ASN f 254 GLN i 20 ASN j 254 GLN m 20 ASN q 20 ASN s 254 GLN u 20 ASN w 254 GLN Total number of N/Q/H flips: 24 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8528 moved from start: 0.1826 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.030 136260 Z= 0.301 Angle : 0.572 7.445 185700 Z= 0.288 Chirality : 0.046 0.144 21480 Planarity : 0.006 0.048 24000 Dihedral : 5.215 19.543 18720 Min Nonbonded Distance : 2.261 Molprobity Statistics. All-atom Clashscore : 4.86 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.66 % Favored : 94.34 % Rotamer Outliers : 1.41 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 5.88 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.18 (0.06), residues: 16560 helix: 0.63 (0.07), residues: 4260 sheet: 0.77 (0.07), residues: 3780 loop : -0.92 (0.06), residues: 8520 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 33120 Ramachandran restraints generated. 16560 Oldfield, 0 Emsley, 16560 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 33120 Ramachandran restraints generated. 16560 Oldfield, 0 Emsley, 16560 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1263 residues out of total 14580 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 206 poor density : 1057 time to evaluate : 12.329 Fit side-chains outliers start: 206 outliers final: 132 residues processed: 1225 average time/residue: 2.9029 time to fit residues: 4650.3726 Evaluate side-chains 1176 residues out of total 14580 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 132 poor density : 1044 time to evaluate : 12.304 Switching outliers to nearest non-outliers outliers start: 132 outliers final: 120 residues processed: 12 average time/residue: 1.8508 time to fit residues: 48.9783 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1680 random chunks: chunk 1567 optimal weight: 0.0770 chunk 183 optimal weight: 7.9990 chunk 926 optimal weight: 0.9990 chunk 1187 optimal weight: 6.9990 chunk 919 optimal weight: 6.9990 chunk 1368 optimal weight: 0.9990 chunk 907 optimal weight: 6.9990 chunk 1619 optimal weight: 1.9990 chunk 1013 optimal weight: 0.0030 chunk 987 optimal weight: 6.9990 chunk 747 optimal weight: 0.6980 overall best weight: 0.5552 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 247 GLN D 254 GLN J 254 GLN K 254 GLN N 254 GLN Q 254 GLN T 247 GLN W 254 GLN X 254 GLN 0 247 GLN 0 254 GLN 8 247 GLN i 247 GLN i 254 GLN j 254 GLN m 247 GLN q 247 GLN s 254 GLN Total number of N/Q/H flips: 18 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8442 moved from start: 0.2148 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.002 0.023 136260 Z= 0.121 Angle : 0.440 4.082 185700 Z= 0.230 Chirality : 0.042 0.132 21480 Planarity : 0.005 0.048 24000 Dihedral : 4.566 17.444 18720 Min Nonbonded Distance : 2.215 Molprobity Statistics. All-atom Clashscore : 5.17 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.23 % Favored : 96.77 % Rotamer Outliers : 1.23 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 5.88 % 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: 0.22 (0.06), residues: 16560 helix: 1.10 (0.07), residues: 4260 sheet: 0.93 (0.07), residues: 3780 loop : -0.71 (0.06), residues: 8520 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 33120 Ramachandran restraints generated. 16560 Oldfield, 0 Emsley, 16560 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 33120 Ramachandran restraints generated. 16560 Oldfield, 0 Emsley, 16560 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1341 residues out of total 14580 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 180 poor density : 1161 time to evaluate : 12.349 Fit side-chains outliers start: 180 outliers final: 96 residues processed: 1317 average time/residue: 2.8098 time to fit residues: 4876.2623 Evaluate side-chains 1187 residues out of total 14580 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 96 poor density : 1091 time to evaluate : 12.282 Switching outliers to nearest non-outliers outliers start: 96 outliers final: 96 residues processed: 0 time to fit residues: 16.2634 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1680 random chunks: chunk 1001 optimal weight: 3.9990 chunk 646 optimal weight: 0.8980 chunk 967 optimal weight: 4.9990 chunk 487 optimal weight: 4.9990 chunk 318 optimal weight: 6.9990 chunk 313 optimal weight: 0.0020 chunk 1029 optimal weight: 7.9990 chunk 1103 optimal weight: 0.9990 chunk 800 optimal weight: 10.0000 chunk 150 optimal weight: 8.9990 chunk 1272 optimal weight: 0.9990 overall best weight: 1.3794 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: D 20 ASN J 20 ASN K 20 ASN Q 20 ASN Y 20 ASN Y 254 GLN 2 20 ASN 2 254 GLN 5 20 ASN 5 254 GLN 6 142 ASN 9 20 ASN 9 254 GLN f 20 ASN f 254 GLN j 20 ASN o 142 ASN s 20 ASN w 20 ASN w 254 GLN Total number of N/Q/H flips: 20 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8472 moved from start: 0.2096 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.025 136260 Z= 0.168 Angle : 0.477 5.054 185700 Z= 0.245 Chirality : 0.043 0.134 21480 Planarity : 0.005 0.050 24000 Dihedral : 4.632 17.741 18720 Min Nonbonded Distance : 2.248 Molprobity Statistics. All-atom Clashscore : 4.61 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.25 % Favored : 94.75 % Rotamer Outliers : 0.92 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 5.88 % 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: 0.28 (0.06), residues: 16560 helix: 1.20 (0.07), residues: 4260 sheet: 0.98 (0.07), residues: 3780 loop : -0.71 (0.06), residues: 8520 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 33120 Ramachandran restraints generated. 16560 Oldfield, 0 Emsley, 16560 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 33120 Ramachandran restraints generated. 16560 Oldfield, 0 Emsley, 16560 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1242 residues out of total 14580 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 134 poor density : 1108 time to evaluate : 12.334 Fit side-chains outliers start: 134 outliers final: 107 residues processed: 1221 average time/residue: 2.9440 time to fit residues: 4753.9696 Evaluate side-chains 1204 residues out of total 14580 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 107 poor density : 1097 time to evaluate : 12.509 Switching outliers to nearest non-outliers outliers start: 107 outliers final: 107 residues processed: 0 time to fit residues: 16.5639 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1680 random chunks: chunk 1472 optimal weight: 8.9990 chunk 1551 optimal weight: 6.9990 chunk 1415 optimal weight: 8.9990 chunk 1508 optimal weight: 7.9990 chunk 1550 optimal weight: 4.9990 chunk 908 optimal weight: 5.9990 chunk 657 optimal weight: 2.9990 chunk 1184 optimal weight: 2.9990 chunk 463 optimal weight: 8.9990 chunk 1363 optimal weight: 3.9990 chunk 1427 optimal weight: 6.9990 overall best weight: 4.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 254 GLN C 254 GLN H 254 GLN N 254 GLN O 254 GLN P 254 GLN T 254 GLN W 254 GLN Y 254 GLN 0 254 GLN 1 254 GLN 2 254 GLN 4 254 GLN 5 254 GLN 8 254 GLN 9 254 GLN c 254 GLN d 254 GLN e 254 GLN f 254 GLN i 254 GLN m 254 GLN n 254 GLN q 254 GLN r 254 GLN u 254 GLN w 254 GLN Total number of N/Q/H flips: 27 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8538 moved from start: 0.1856 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 0.038 136260 Z= 0.386 Angle : 0.625 9.797 185700 Z= 0.313 Chirality : 0.048 0.160 21480 Planarity : 0.006 0.047 24000 Dihedral : 5.325 19.874 18720 Min Nonbonded Distance : 2.247 Molprobity Statistics. All-atom Clashscore : 5.02 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.90 % Favored : 94.10 % Rotamer Outliers : 1.07 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 5.88 % 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: -0.15 (0.06), residues: 16560 helix: 0.68 (0.07), residues: 4260 sheet: 0.83 (0.07), residues: 3780 loop : -0.93 (0.06), residues: 8520 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 33120 Ramachandran restraints generated. 16560 Oldfield, 0 Emsley, 16560 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 33120 Ramachandran restraints generated. 16560 Oldfield, 0 Emsley, 16560 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1214 residues out of total 14580 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 156 poor density : 1058 time to evaluate : 12.510 Fit side-chains outliers start: 156 outliers final: 98 residues processed: 1202 average time/residue: 2.9937 time to fit residues: 4688.4180 Evaluate side-chains 1127 residues out of total 14580 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 98 poor density : 1029 time to evaluate : 12.134 Switching outliers to nearest non-outliers outliers start: 98 outliers final: 98 residues processed: 0 time to fit residues: 16.0983 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1680 random chunks: chunk 1503 optimal weight: 0.2980 chunk 990 optimal weight: 7.9990 chunk 1595 optimal weight: 9.9990 chunk 973 optimal weight: 10.0000 chunk 756 optimal weight: 3.9990 chunk 1109 optimal weight: 0.9980 chunk 1673 optimal weight: 0.7980 chunk 1540 optimal weight: 6.9990 chunk 1332 optimal weight: 7.9990 chunk 138 optimal weight: 0.7980 chunk 1029 optimal weight: 8.9990 overall best weight: 1.3782 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 254 GLN H 254 GLN I 254 GLN N 254 GLN T 254 GLN W 254 GLN 0 254 GLN 8 254 GLN c 254 GLN i 254 GLN m 254 GLN q 254 GLN u 254 GLN v 254 GLN Total number of N/Q/H flips: 14 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8481 moved from start: 0.2031 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.026 136260 Z= 0.167 Angle : 0.484 4.928 185700 Z= 0.250 Chirality : 0.043 0.134 21480 Planarity : 0.005 0.052 24000 Dihedral : 4.822 18.039 18720 Min Nonbonded Distance : 2.254 Molprobity Statistics. All-atom Clashscore : 4.99 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.51 % Favored : 95.49 % Rotamer Outliers : 0.71 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 5.88 % 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: 0.09 (0.06), residues: 16560 helix: 0.97 (0.07), residues: 4260 sheet: 0.93 (0.07), residues: 3780 loop : -0.82 (0.06), residues: 8520 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 33120 Ramachandran restraints generated. 16560 Oldfield, 0 Emsley, 16560 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 33120 Ramachandran restraints generated. 16560 Oldfield, 0 Emsley, 16560 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1174 residues out of total 14580 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 104 poor density : 1070 time to evaluate : 12.465 Fit side-chains outliers start: 104 outliers final: 86 residues processed: 1168 average time/residue: 2.9510 time to fit residues: 4523.9818 Evaluate side-chains 1167 residues out of total 14580 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 86 poor density : 1081 time to evaluate : 12.329 Switching outliers to nearest non-outliers outliers start: 86 outliers final: 86 residues processed: 0 time to fit residues: 16.3735 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1680 random chunks: chunk 817 optimal weight: 4.9990 chunk 1058 optimal weight: 8.9990 chunk 1419 optimal weight: 0.5980 chunk 408 optimal weight: 7.9990 chunk 1228 optimal weight: 0.3980 chunk 196 optimal weight: 1.9990 chunk 370 optimal weight: 4.9990 chunk 1334 optimal weight: 0.9980 chunk 558 optimal weight: 7.9990 chunk 1370 optimal weight: 9.9990 chunk 169 optimal weight: 0.9990 overall best weight: 0.9984 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 254 GLN E 142 ASN H 254 GLN N 254 GLN T 254 GLN W 254 GLN 0 254 GLN 8 254 GLN c 254 GLN i 254 GLN m 254 GLN q 254 GLN u 254 GLN x 142 ASN Total number of N/Q/H flips: 14 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3311 r_free = 0.3311 target = 0.114710 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 39)----------------| | r_work = 0.3073 r_free = 0.3073 target = 0.099114 restraints weight = 168187.059| |-----------------------------------------------------------------------------| r_work (start): 0.3061 rms_B_bonded: 1.39 r_work: 0.2955 rms_B_bonded: 1.87 restraints_weight: 0.5000 r_work: 0.2815 rms_B_bonded: 3.15 restraints_weight: 0.2500 r_work (final): 0.2815 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8656 moved from start: 0.2192 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.002 0.028 136260 Z= 0.145 Angle : 0.459 5.816 185700 Z= 0.238 Chirality : 0.042 0.131 21480 Planarity : 0.005 0.050 24000 Dihedral : 4.528 17.614 18720 Min Nonbonded Distance : 2.226 Molprobity Statistics. All-atom Clashscore : 4.94 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.04 % Favored : 94.96 % Rotamer Outliers : 0.69 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 5.88 % 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: 0.24 (0.06), residues: 16560 helix: 1.24 (0.07), residues: 4260 sheet: 0.79 (0.07), residues: 3900 loop : -0.71 (0.07), residues: 8400 =============================================================================== Job complete usr+sys time: 57436.94 seconds wall clock time: 988 minutes 15.24 seconds (59295.24 seconds total)