Starting phenix.real_space_refine (version: 1.21rc1) on Mon Apr 24 20:19:24 2023 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6s44_10097/04_2023/6s44_10097.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6s44_10097/04_2023/6s44_10097.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.19 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6s44_10097/04_2023/6s44_10097.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6s44_10097/04_2023/6s44_10097.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6s44_10097/04_2023/6s44_10097.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6s44_10097/04_2023/6s44_10097.pdb" } resolution = 3.19 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= 0.000 sd= 0.004 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 540 5.16 5 C 42600 2.51 5 N 11640 2.21 5 O 12420 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A ARG 32": "NH1" <-> "NH2" Residue "A GLU 77": "OE1" <-> "OE2" Residue "A ARG 167": "NH1" <-> "NH2" Residue "A GLU 171": "OE1" <-> "OE2" Residue "B ARG 32": "NH1" <-> "NH2" Residue "B GLU 77": "OE1" <-> "OE2" Residue "B ARG 167": "NH1" <-> "NH2" Residue "B GLU 171": "OE1" <-> "OE2" Residue "C ARG 32": "NH1" <-> "NH2" Residue "C GLU 77": "OE1" <-> "OE2" Residue "C ARG 167": "NH1" <-> "NH2" Residue "C GLU 171": "OE1" <-> "OE2" Residue "D ARG 32": "NH1" <-> "NH2" Residue "D GLU 77": "OE1" <-> "OE2" Residue "D ARG 167": "NH1" <-> "NH2" Residue "D GLU 171": "OE1" <-> "OE2" Residue "E ARG 32": "NH1" <-> "NH2" Residue "E GLU 77": "OE1" <-> "OE2" Residue "E ARG 167": "NH1" <-> "NH2" Residue "E GLU 171": "OE1" <-> "OE2" Residue "F ARG 32": "NH1" <-> "NH2" Residue "F GLU 77": "OE1" <-> "OE2" Residue "F ARG 167": "NH1" <-> "NH2" Residue "F GLU 171": "OE1" <-> "OE2" Residue "G ARG 32": "NH1" <-> "NH2" Residue "G GLU 77": "OE1" <-> "OE2" Residue "G ARG 167": "NH1" <-> "NH2" Residue "G GLU 171": "OE1" <-> "OE2" Residue "H ARG 32": "NH1" <-> "NH2" Residue "H GLU 77": "OE1" <-> "OE2" Residue "H ARG 167": "NH1" <-> "NH2" Residue "H GLU 171": "OE1" <-> "OE2" Residue "I ARG 32": "NH1" <-> "NH2" Residue "I GLU 77": "OE1" <-> "OE2" Residue "I ARG 167": "NH1" <-> "NH2" Residue "I GLU 171": "OE1" <-> "OE2" Residue "J ARG 32": "NH1" <-> "NH2" Residue "J GLU 77": "OE1" <-> "OE2" Residue "J ARG 167": "NH1" <-> "NH2" Residue "J GLU 171": "OE1" <-> "OE2" Residue "K ARG 32": "NH1" <-> "NH2" Residue "K GLU 77": "OE1" <-> "OE2" Residue "K ARG 167": "NH1" <-> "NH2" Residue "K GLU 171": "OE1" <-> "OE2" Residue "L ARG 32": "NH1" <-> "NH2" Residue "L GLU 77": "OE1" <-> "OE2" Residue "L ARG 167": "NH1" <-> "NH2" Residue "L GLU 171": "OE1" <-> "OE2" Residue "M ARG 32": "NH1" <-> "NH2" Residue "M GLU 77": "OE1" <-> "OE2" Residue "M ARG 167": "NH1" <-> "NH2" Residue "M GLU 171": "OE1" <-> "OE2" Residue "N ARG 32": "NH1" <-> "NH2" Residue "N GLU 77": "OE1" <-> "OE2" Residue "N ARG 167": "NH1" <-> "NH2" Residue "N GLU 171": "OE1" <-> "OE2" Residue "O ARG 32": "NH1" <-> "NH2" Residue "O GLU 77": "OE1" <-> "OE2" Residue "O ARG 167": "NH1" <-> "NH2" Residue "O GLU 171": "OE1" <-> "OE2" Residue "P ARG 32": "NH1" <-> "NH2" Residue "P GLU 77": "OE1" <-> "OE2" Residue "P ARG 167": "NH1" <-> "NH2" Residue "P GLU 171": "OE1" <-> "OE2" Residue "Q ARG 32": "NH1" <-> "NH2" Residue "Q GLU 77": "OE1" <-> "OE2" Residue "Q ARG 167": "NH1" <-> "NH2" Residue "Q GLU 171": "OE1" <-> "OE2" Residue "R ARG 32": "NH1" <-> "NH2" Residue "R GLU 77": "OE1" <-> "OE2" Residue "R ARG 167": "NH1" <-> "NH2" Residue "R GLU 171": "OE1" <-> "OE2" Residue "S ARG 32": "NH1" <-> "NH2" Residue "S GLU 77": "OE1" <-> "OE2" Residue "S ARG 167": "NH1" <-> "NH2" Residue "S GLU 171": "OE1" <-> "OE2" Residue "T ARG 32": "NH1" <-> "NH2" Residue "T GLU 77": "OE1" <-> "OE2" Residue "T ARG 167": "NH1" <-> "NH2" Residue "T GLU 171": "OE1" <-> "OE2" Residue "U ARG 32": "NH1" <-> "NH2" Residue "U GLU 77": "OE1" <-> "OE2" Residue "U ARG 167": "NH1" <-> "NH2" Residue "U GLU 171": "OE1" <-> "OE2" Residue "V ARG 32": "NH1" <-> "NH2" Residue "V GLU 77": "OE1" <-> "OE2" Residue "V ARG 167": "NH1" <-> "NH2" Residue "V GLU 171": "OE1" <-> "OE2" Residue "W ARG 32": "NH1" <-> "NH2" Residue "W GLU 77": "OE1" <-> "OE2" Residue "W ARG 167": "NH1" <-> "NH2" Residue "W GLU 171": "OE1" <-> "OE2" Residue "X ARG 32": "NH1" <-> "NH2" Residue "X GLU 77": "OE1" <-> "OE2" Residue "X ARG 167": "NH1" <-> "NH2" Residue "X GLU 171": "OE1" <-> "OE2" Residue "Y ARG 32": "NH1" <-> "NH2" Residue "Y GLU 77": "OE1" <-> "OE2" Residue "Y ARG 167": "NH1" <-> "NH2" Residue "Y GLU 171": "OE1" <-> "OE2" Residue "Z ARG 32": "NH1" <-> "NH2" Residue "Z GLU 77": "OE1" <-> "OE2" Residue "Z ARG 167": "NH1" <-> "NH2" Residue "Z GLU 171": "OE1" <-> "OE2" Residue "0 ARG 32": "NH1" <-> "NH2" Residue "0 GLU 77": "OE1" <-> "OE2" Residue "0 ARG 167": "NH1" <-> "NH2" Residue "0 GLU 171": "OE1" <-> "OE2" Residue "1 ARG 32": "NH1" <-> "NH2" Residue "1 GLU 77": "OE1" <-> "OE2" Residue "1 ARG 167": "NH1" <-> "NH2" Residue "1 GLU 171": "OE1" <-> "OE2" Residue "2 ARG 32": "NH1" <-> "NH2" Residue "2 GLU 77": "OE1" <-> "OE2" Residue "2 ARG 167": "NH1" <-> "NH2" Residue "2 GLU 171": "OE1" <-> "OE2" Residue "3 ARG 32": "NH1" <-> "NH2" Residue "3 GLU 77": "OE1" <-> "OE2" Residue "3 ARG 167": "NH1" <-> "NH2" Residue "3 GLU 171": "OE1" <-> "OE2" Residue "4 ARG 32": "NH1" <-> "NH2" Residue "4 GLU 77": "OE1" <-> "OE2" Residue "4 ARG 167": "NH1" <-> "NH2" Residue "4 GLU 171": "OE1" <-> "OE2" Residue "5 ARG 32": "NH1" <-> "NH2" Residue "5 GLU 77": "OE1" <-> "OE2" Residue "5 ARG 167": "NH1" <-> "NH2" Residue "5 GLU 171": "OE1" <-> "OE2" Residue "6 ARG 32": "NH1" <-> "NH2" Residue "6 GLU 77": "OE1" <-> "OE2" Residue "6 ARG 167": "NH1" <-> "NH2" Residue "6 GLU 171": "OE1" <-> "OE2" Residue "7 ARG 32": "NH1" <-> "NH2" Residue "7 GLU 77": "OE1" <-> "OE2" Residue "7 ARG 167": "NH1" <-> "NH2" Residue "7 GLU 171": "OE1" <-> "OE2" Residue "8 ARG 32": "NH1" <-> "NH2" Residue "8 GLU 77": "OE1" <-> "OE2" Residue "8 ARG 167": "NH1" <-> "NH2" Residue "8 GLU 171": "OE1" <-> "OE2" Residue "9 ARG 32": "NH1" <-> "NH2" Residue "9 GLU 77": "OE1" <-> "OE2" Residue "9 ARG 167": "NH1" <-> "NH2" Residue "9 GLU 171": "OE1" <-> "OE2" Residue "a ARG 32": "NH1" <-> "NH2" Residue "a GLU 77": "OE1" <-> "OE2" Residue "a ARG 167": "NH1" <-> "NH2" Residue "a GLU 171": "OE1" <-> "OE2" Residue "b ARG 32": "NH1" <-> "NH2" Residue "b GLU 77": "OE1" <-> "OE2" Residue "b ARG 167": "NH1" <-> "NH2" Residue "b GLU 171": "OE1" <-> "OE2" Residue "c ARG 32": "NH1" <-> "NH2" Residue "c GLU 77": "OE1" <-> "OE2" Residue "c ARG 167": "NH1" <-> "NH2" Residue "c GLU 171": "OE1" <-> "OE2" Residue "d ARG 32": "NH1" <-> "NH2" Residue "d GLU 77": "OE1" <-> "OE2" Residue "d ARG 167": "NH1" <-> "NH2" Residue "d GLU 171": "OE1" <-> "OE2" Residue "e ARG 32": "NH1" <-> "NH2" Residue "e GLU 77": "OE1" <-> "OE2" Residue "e ARG 167": "NH1" <-> "NH2" Residue "e GLU 171": "OE1" <-> "OE2" Residue "f ARG 32": "NH1" <-> "NH2" Residue "f GLU 77": "OE1" <-> "OE2" Residue "f ARG 167": "NH1" <-> "NH2" Residue "f GLU 171": "OE1" <-> "OE2" Residue "g ARG 32": "NH1" <-> "NH2" Residue "g GLU 77": "OE1" <-> "OE2" Residue "g ARG 167": "NH1" <-> "NH2" Residue "g GLU 171": "OE1" <-> "OE2" Residue "h ARG 32": "NH1" <-> "NH2" Residue "h GLU 77": "OE1" <-> "OE2" Residue "h ARG 167": "NH1" <-> "NH2" Residue "h GLU 171": "OE1" <-> "OE2" Residue "i ARG 32": "NH1" <-> "NH2" Residue "i GLU 77": "OE1" <-> "OE2" Residue "i ARG 167": "NH1" <-> "NH2" Residue "i GLU 171": "OE1" <-> "OE2" Residue "j ARG 32": "NH1" <-> "NH2" Residue "j GLU 77": "OE1" <-> "OE2" Residue "j ARG 167": "NH1" <-> "NH2" Residue "j GLU 171": "OE1" <-> "OE2" Residue "k ARG 32": "NH1" <-> "NH2" Residue "k GLU 77": "OE1" <-> "OE2" Residue "k ARG 167": "NH1" <-> "NH2" Residue "k GLU 171": "OE1" <-> "OE2" Residue "l ARG 32": "NH1" <-> "NH2" Residue "l GLU 77": "OE1" <-> "OE2" Residue "l ARG 167": "NH1" <-> "NH2" Residue "l GLU 171": "OE1" <-> "OE2" Residue "m ARG 32": "NH1" <-> "NH2" Residue "m GLU 77": "OE1" <-> "OE2" Residue "m ARG 167": "NH1" <-> "NH2" Residue "m GLU 171": "OE1" <-> "OE2" Residue "n ARG 32": "NH1" <-> "NH2" Residue "n GLU 77": "OE1" <-> "OE2" Residue "n ARG 167": "NH1" <-> "NH2" Residue "n GLU 171": "OE1" <-> "OE2" Residue "o ARG 32": "NH1" <-> "NH2" Residue "o GLU 77": "OE1" <-> "OE2" Residue "o ARG 167": "NH1" <-> "NH2" Residue "o GLU 171": "OE1" <-> "OE2" Residue "p ARG 32": "NH1" <-> "NH2" Residue "p GLU 77": "OE1" <-> "OE2" Residue "p ARG 167": "NH1" <-> "NH2" Residue "p GLU 171": "OE1" <-> "OE2" Residue "q ARG 32": "NH1" <-> "NH2" Residue "q GLU 77": "OE1" <-> "OE2" Residue "q ARG 167": "NH1" <-> "NH2" Residue "q GLU 171": "OE1" <-> "OE2" Residue "r ARG 32": "NH1" <-> "NH2" Residue "r GLU 77": "OE1" <-> "OE2" Residue "r ARG 167": "NH1" <-> "NH2" Residue "r GLU 171": "OE1" <-> "OE2" Residue "s ARG 32": "NH1" <-> "NH2" Residue "s GLU 77": "OE1" <-> "OE2" Residue "s ARG 167": "NH1" <-> "NH2" Residue "s GLU 171": "OE1" <-> "OE2" Residue "t ARG 32": "NH1" <-> "NH2" Residue "t GLU 77": "OE1" <-> "OE2" Residue "t ARG 167": "NH1" <-> "NH2" Residue "t GLU 171": "OE1" <-> "OE2" Residue "u ARG 32": "NH1" <-> "NH2" Residue "u GLU 77": "OE1" <-> "OE2" Residue "u ARG 167": "NH1" <-> "NH2" Residue "u GLU 171": "OE1" <-> "OE2" Residue "v ARG 32": "NH1" <-> "NH2" Residue "v GLU 77": "OE1" <-> "OE2" Residue "v ARG 167": "NH1" <-> "NH2" Residue "v GLU 171": "OE1" <-> "OE2" Residue "w ARG 32": "NH1" <-> "NH2" Residue "w GLU 77": "OE1" <-> "OE2" Residue "w ARG 167": "NH1" <-> "NH2" Residue "w GLU 171": "OE1" <-> "OE2" Residue "x ARG 32": "NH1" <-> "NH2" Residue "x GLU 77": "OE1" <-> "OE2" Residue "x ARG 167": "NH1" <-> "NH2" Residue "x GLU 171": "OE1" <-> "OE2" Time to flip residues: 0.18s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-4938/modules/chem_data/mon_lib" Total number of atoms: 67200 Number of models: 1 Model: "" Number of chains: 60 Chain: "A" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "B" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "C" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "D" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "E" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "F" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "G" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "H" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "I" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "J" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "K" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "L" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "M" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "N" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "O" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "P" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "Q" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "R" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "S" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "T" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "U" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "V" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "W" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "X" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "Y" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "Z" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "0" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "1" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "2" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "3" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "4" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "5" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "6" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "7" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "8" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "9" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "a" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "b" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "c" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "d" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "e" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "f" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "g" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "h" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "i" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "j" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "k" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "l" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "m" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "n" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "o" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "p" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "q" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "r" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "s" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "t" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "u" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "v" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "w" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Chain: "x" Number of atoms: 1120 Number of conformers: 1 Conformer: "" Number of residues, atoms: 146, 1120 Classifications: {'peptide': 146} Link IDs: {'PTRANS': 5, 'TRANS': 140} Time building chain proxies: 25.81, per 1000 atoms: 0.38 Number of scatterers: 67200 At special positions: 0 Unit cell: (187.55, 187.55, 187.55, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 4 Type Number sf(0) S 540 16.00 O 12420 8.00 N 11640 7.00 C 42600 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: 21.27 Conformation dependent library (CDL) restraints added in 8.3 seconds 17280 Ramachandran restraints generated. 8640 Oldfield, 0 Emsley, 8640 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 16440 Finding SS restraints... Secondary structure from input PDB file: 60 helices and 120 sheets defined 3.4% alpha, 52.1% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 2.55 Creating SS restraints... Processing helix chain 'A' and resid 105 through 109 Processing helix chain 'B' and resid 105 through 109 Processing helix chain 'C' and resid 105 through 109 Processing helix chain 'D' and resid 105 through 109 Processing helix chain 'E' and resid 105 through 109 Processing helix chain 'F' and resid 105 through 109 Processing helix chain 'G' and resid 105 through 109 Processing helix chain 'H' and resid 105 through 109 Processing helix chain 'I' and resid 105 through 109 Processing helix chain 'J' and resid 105 through 109 Processing helix chain 'K' and resid 105 through 109 Processing helix chain 'L' and resid 105 through 109 Processing helix chain 'M' and resid 105 through 109 Processing helix chain 'N' and resid 105 through 109 Processing helix chain 'O' and resid 105 through 109 Processing helix chain 'P' and resid 105 through 109 Processing helix chain 'Q' and resid 105 through 109 Processing helix chain 'R' and resid 105 through 109 Processing helix chain 'S' and resid 105 through 109 Processing helix chain 'T' and resid 105 through 109 Processing helix chain 'U' and resid 105 through 109 Processing helix chain 'V' and resid 105 through 109 Processing helix chain 'W' and resid 105 through 109 Processing helix chain 'X' and resid 105 through 109 Processing helix chain 'Y' and resid 105 through 109 Processing helix chain 'Z' and resid 105 through 109 Processing helix chain '0' and resid 105 through 109 Processing helix chain '1' and resid 105 through 109 Processing helix chain '2' and resid 105 through 109 Processing helix chain '3' and resid 105 through 109 Processing helix chain '4' and resid 105 through 109 Processing helix chain '5' and resid 105 through 109 Processing helix chain '6' and resid 105 through 109 Processing helix chain '7' and resid 105 through 109 Processing helix chain '8' and resid 105 through 109 Processing helix chain '9' and resid 105 through 109 Processing helix chain 'a' and resid 105 through 109 Processing helix chain 'b' and resid 105 through 109 Processing helix chain 'c' and resid 105 through 109 Processing helix chain 'd' and resid 105 through 109 Processing helix chain 'e' and resid 105 through 109 Processing helix chain 'f' and resid 105 through 109 Processing helix chain 'g' and resid 105 through 109 Processing helix chain 'h' and resid 105 through 109 Processing helix chain 'i' and resid 105 through 109 Processing helix chain 'j' and resid 105 through 109 Processing helix chain 'k' and resid 105 through 109 Processing helix chain 'l' and resid 105 through 109 Processing helix chain 'm' and resid 105 through 109 Processing helix chain 'n' and resid 105 through 109 Processing helix chain 'o' and resid 105 through 109 Processing helix chain 'p' and resid 105 through 109 Processing helix chain 'q' and resid 105 through 109 Processing helix chain 'r' and resid 105 through 109 Processing helix chain 's' and resid 105 through 109 Processing helix chain 't' and resid 105 through 109 Processing helix chain 'u' and resid 105 through 109 Processing helix chain 'v' and resid 105 through 109 Processing helix chain 'w' and resid 105 through 109 Processing helix chain 'x' and resid 105 through 109 Processing sheet with id= 1, first strand: chain 'A' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG A 72 " --> pdb=" O LYS A 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL A 163 " --> pdb=" O THR A 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR A 70 " --> pdb=" O VAL A 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU A 165 " --> pdb=" O SER A 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS A 64 " --> pdb=" O TYR A 169 " (cutoff:3.500A) removed outlier: 9.363A pdb=" N LYS A 64 " --> pdb=" O ALA A 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA A 142 " --> pdb=" O LYS A 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET A 66 " --> pdb=" O LEU A 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU A 140 " --> pdb=" O MET A 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER A 68 " --> pdb=" O ILE A 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE A 138 " --> pdb=" O SER A 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR A 70 " --> pdb=" O LYS A 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS A 136 " --> pdb=" O THR A 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG A 72 " --> pdb=" O PHE A 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE A 134 " --> pdb=" O ARG A 72 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU A 150 " --> pdb=" O ILE A 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL A 79 " --> pdb=" O LYS A 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS A 119 " --> pdb=" O VAL A 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR A 81 " --> pdb=" O LYS A 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS A 117 " --> pdb=" O TYR A 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE A 83 " --> pdb=" O ILE A 115 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'B' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG B 72 " --> pdb=" O LYS B 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL B 163 " --> pdb=" O THR B 70 " (cutoff:3.500A) removed outlier: 4.724A pdb=" N THR B 70 " --> pdb=" O VAL B 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU B 165 " --> pdb=" O SER B 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS B 64 " --> pdb=" O TYR B 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS B 64 " --> pdb=" O ALA B 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA B 142 " --> pdb=" O LYS B 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET B 66 " --> pdb=" O LEU B 140 " (cutoff:3.500A) removed outlier: 11.578A pdb=" N LEU B 140 " --> pdb=" O MET B 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER B 68 " --> pdb=" O ILE B 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE B 138 " --> pdb=" O SER B 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR B 70 " --> pdb=" O LYS B 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS B 136 " --> pdb=" O THR B 70 " (cutoff:3.500A) removed outlier: 10.564A pdb=" N ARG B 72 " --> pdb=" O PHE B 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE B 134 " --> pdb=" O ARG B 72 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'B' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU B 150 " --> pdb=" O ILE B 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL B 79 " --> pdb=" O LYS B 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS B 119 " --> pdb=" O VAL B 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR B 81 " --> pdb=" O LYS B 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS B 117 " --> pdb=" O TYR B 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE B 83 " --> pdb=" O ILE B 115 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'C' and resid 31 through 41 removed outlier: 3.921A pdb=" N ARG C 72 " --> pdb=" O LYS C 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL C 163 " --> pdb=" O THR C 70 " (cutoff:3.500A) removed outlier: 4.722A pdb=" N THR C 70 " --> pdb=" O VAL C 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU C 165 " --> pdb=" O SER C 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS C 64 " --> pdb=" O TYR C 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS C 64 " --> pdb=" O ALA C 142 " (cutoff:3.500A) removed outlier: 11.075A pdb=" N ALA C 142 " --> pdb=" O LYS C 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET C 66 " --> pdb=" O LEU C 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU C 140 " --> pdb=" O MET C 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER C 68 " --> pdb=" O ILE C 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE C 138 " --> pdb=" O SER C 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR C 70 " --> pdb=" O LYS C 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS C 136 " --> pdb=" O THR C 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG C 72 " --> pdb=" O PHE C 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE C 134 " --> pdb=" O ARG C 72 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'C' and resid 46 through 51 removed outlier: 4.402A pdb=" N LEU C 150 " --> pdb=" O ILE C 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL C 79 " --> pdb=" O LYS C 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS C 119 " --> pdb=" O VAL C 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR C 81 " --> pdb=" O LYS C 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS C 117 " --> pdb=" O TYR C 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE C 83 " --> pdb=" O ILE C 115 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'D' and resid 31 through 41 removed outlier: 3.921A pdb=" N ARG D 72 " --> pdb=" O LYS D 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL D 163 " --> pdb=" O THR D 70 " (cutoff:3.500A) removed outlier: 4.722A pdb=" N THR D 70 " --> pdb=" O VAL D 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU D 165 " --> pdb=" O SER D 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS D 64 " --> pdb=" O TYR D 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS D 64 " --> pdb=" O ALA D 142 " (cutoff:3.500A) removed outlier: 11.075A pdb=" N ALA D 142 " --> pdb=" O LYS D 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET D 66 " --> pdb=" O LEU D 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU D 140 " --> pdb=" O MET D 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER D 68 " --> pdb=" O ILE D 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE D 138 " --> pdb=" O SER D 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR D 70 " --> pdb=" O LYS D 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS D 136 " --> pdb=" O THR D 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG D 72 " --> pdb=" O PHE D 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE D 134 " --> pdb=" O ARG D 72 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'D' and resid 46 through 51 removed outlier: 4.402A pdb=" N LEU D 150 " --> pdb=" O ILE D 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL D 79 " --> pdb=" O LYS D 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS D 119 " --> pdb=" O VAL D 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR D 81 " --> pdb=" O LYS D 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS D 117 " --> pdb=" O TYR D 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE D 83 " --> pdb=" O ILE D 115 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'E' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG E 72 " --> pdb=" O LYS E 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL E 163 " --> pdb=" O THR E 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR E 70 " --> pdb=" O VAL E 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU E 165 " --> pdb=" O SER E 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS E 64 " --> pdb=" O TYR E 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS E 64 " --> pdb=" O ALA E 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA E 142 " --> pdb=" O LYS E 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET E 66 " --> pdb=" O LEU E 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU E 140 " --> pdb=" O MET E 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER E 68 " --> pdb=" O ILE E 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE E 138 " --> pdb=" O SER E 68 " (cutoff:3.500A) removed outlier: 11.083A pdb=" N THR E 70 " --> pdb=" O LYS E 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS E 136 " --> pdb=" O THR E 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG E 72 " --> pdb=" O PHE E 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE E 134 " --> pdb=" O ARG E 72 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'E' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU E 150 " --> pdb=" O ILE E 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL E 79 " --> pdb=" O LYS E 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS E 119 " --> pdb=" O VAL E 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR E 81 " --> pdb=" O LYS E 117 " (cutoff:3.500A) removed outlier: 4.736A pdb=" N LYS E 117 " --> pdb=" O TYR E 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE E 83 " --> pdb=" O ILE E 115 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'F' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG F 72 " --> pdb=" O LYS F 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL F 163 " --> pdb=" O THR F 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR F 70 " --> pdb=" O VAL F 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU F 165 " --> pdb=" O SER F 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS F 64 " --> pdb=" O TYR F 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS F 64 " --> pdb=" O ALA F 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA F 142 " --> pdb=" O LYS F 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET F 66 " --> pdb=" O LEU F 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU F 140 " --> pdb=" O MET F 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER F 68 " --> pdb=" O ILE F 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE F 138 " --> pdb=" O SER F 68 " (cutoff:3.500A) removed outlier: 11.081A pdb=" N THR F 70 " --> pdb=" O LYS F 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS F 136 " --> pdb=" O THR F 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG F 72 " --> pdb=" O PHE F 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE F 134 " --> pdb=" O ARG F 72 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'F' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU F 150 " --> pdb=" O ILE F 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL F 79 " --> pdb=" O LYS F 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS F 119 " --> pdb=" O VAL F 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR F 81 " --> pdb=" O LYS F 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS F 117 " --> pdb=" O TYR F 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE F 83 " --> pdb=" O ILE F 115 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'G' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG G 72 " --> pdb=" O LYS G 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL G 163 " --> pdb=" O THR G 70 " (cutoff:3.500A) removed outlier: 4.724A pdb=" N THR G 70 " --> pdb=" O VAL G 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU G 165 " --> pdb=" O SER G 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS G 64 " --> pdb=" O TYR G 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS G 64 " --> pdb=" O ALA G 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA G 142 " --> pdb=" O LYS G 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET G 66 " --> pdb=" O LEU G 140 " (cutoff:3.500A) removed outlier: 11.578A pdb=" N LEU G 140 " --> pdb=" O MET G 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER G 68 " --> pdb=" O ILE G 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE G 138 " --> pdb=" O SER G 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR G 70 " --> pdb=" O LYS G 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS G 136 " --> pdb=" O THR G 70 " (cutoff:3.500A) removed outlier: 10.564A pdb=" N ARG G 72 " --> pdb=" O PHE G 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE G 134 " --> pdb=" O ARG G 72 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'G' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU G 150 " --> pdb=" O ILE G 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL G 79 " --> pdb=" O LYS G 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS G 119 " --> pdb=" O VAL G 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR G 81 " --> pdb=" O LYS G 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS G 117 " --> pdb=" O TYR G 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE G 83 " --> pdb=" O ILE G 115 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'H' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG H 72 " --> pdb=" O LYS H 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL H 163 " --> pdb=" O THR H 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR H 70 " --> pdb=" O VAL H 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU H 165 " --> pdb=" O SER H 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS H 64 " --> pdb=" O TYR H 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS H 64 " --> pdb=" O ALA H 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA H 142 " --> pdb=" O LYS H 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET H 66 " --> pdb=" O LEU H 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU H 140 " --> pdb=" O MET H 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER H 68 " --> pdb=" O ILE H 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE H 138 " --> pdb=" O SER H 68 " (cutoff:3.500A) removed outlier: 11.083A pdb=" N THR H 70 " --> pdb=" O LYS H 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS H 136 " --> pdb=" O THR H 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG H 72 " --> pdb=" O PHE H 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE H 134 " --> pdb=" O ARG H 72 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'H' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU H 150 " --> pdb=" O ILE H 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL H 79 " --> pdb=" O LYS H 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS H 119 " --> pdb=" O VAL H 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR H 81 " --> pdb=" O LYS H 117 " (cutoff:3.500A) removed outlier: 4.736A pdb=" N LYS H 117 " --> pdb=" O TYR H 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE H 83 " --> pdb=" O ILE H 115 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'I' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG I 72 " --> pdb=" O LYS I 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL I 163 " --> pdb=" O THR I 70 " (cutoff:3.500A) removed outlier: 4.724A pdb=" N THR I 70 " --> pdb=" O VAL I 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU I 165 " --> pdb=" O SER I 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS I 64 " --> pdb=" O TYR I 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS I 64 " --> pdb=" O ALA I 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA I 142 " --> pdb=" O LYS I 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET I 66 " --> pdb=" O LEU I 140 " (cutoff:3.500A) removed outlier: 11.578A pdb=" N LEU I 140 " --> pdb=" O MET I 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER I 68 " --> pdb=" O ILE I 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE I 138 " --> pdb=" O SER I 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR I 70 " --> pdb=" O LYS I 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS I 136 " --> pdb=" O THR I 70 " (cutoff:3.500A) removed outlier: 10.564A pdb=" N ARG I 72 " --> pdb=" O PHE I 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE I 134 " --> pdb=" O ARG I 72 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'I' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU I 150 " --> pdb=" O ILE I 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL I 79 " --> pdb=" O LYS I 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS I 119 " --> pdb=" O VAL I 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR I 81 " --> pdb=" O LYS I 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS I 117 " --> pdb=" O TYR I 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE I 83 " --> pdb=" O ILE I 115 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'J' and resid 31 through 41 removed outlier: 3.921A pdb=" N ARG J 72 " --> pdb=" O LYS J 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL J 163 " --> pdb=" O THR J 70 " (cutoff:3.500A) removed outlier: 4.722A pdb=" N THR J 70 " --> pdb=" O VAL J 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU J 165 " --> pdb=" O SER J 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS J 64 " --> pdb=" O TYR J 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS J 64 " --> pdb=" O ALA J 142 " (cutoff:3.500A) removed outlier: 11.075A pdb=" N ALA J 142 " --> pdb=" O LYS J 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET J 66 " --> pdb=" O LEU J 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU J 140 " --> pdb=" O MET J 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER J 68 " --> pdb=" O ILE J 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE J 138 " --> pdb=" O SER J 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR J 70 " --> pdb=" O LYS J 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS J 136 " --> pdb=" O THR J 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG J 72 " --> pdb=" O PHE J 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE J 134 " --> pdb=" O ARG J 72 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'J' and resid 46 through 51 removed outlier: 4.402A pdb=" N LEU J 150 " --> pdb=" O ILE J 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL J 79 " --> pdb=" O LYS J 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS J 119 " --> pdb=" O VAL J 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR J 81 " --> pdb=" O LYS J 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS J 117 " --> pdb=" O TYR J 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE J 83 " --> pdb=" O ILE J 115 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'K' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG K 72 " --> pdb=" O LYS K 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL K 163 " --> pdb=" O THR K 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR K 70 " --> pdb=" O VAL K 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU K 165 " --> pdb=" O SER K 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS K 64 " --> pdb=" O TYR K 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS K 64 " --> pdb=" O ALA K 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA K 142 " --> pdb=" O LYS K 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET K 66 " --> pdb=" O LEU K 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU K 140 " --> pdb=" O MET K 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER K 68 " --> pdb=" O ILE K 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE K 138 " --> pdb=" O SER K 68 " (cutoff:3.500A) removed outlier: 11.081A pdb=" N THR K 70 " --> pdb=" O LYS K 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS K 136 " --> pdb=" O THR K 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG K 72 " --> pdb=" O PHE K 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE K 134 " --> pdb=" O ARG K 72 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'K' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU K 150 " --> pdb=" O ILE K 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL K 79 " --> pdb=" O LYS K 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS K 119 " --> pdb=" O VAL K 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR K 81 " --> pdb=" O LYS K 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS K 117 " --> pdb=" O TYR K 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE K 83 " --> pdb=" O ILE K 115 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'L' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG L 72 " --> pdb=" O LYS L 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL L 163 " --> pdb=" O THR L 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR L 70 " --> pdb=" O VAL L 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU L 165 " --> pdb=" O SER L 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS L 64 " --> pdb=" O TYR L 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS L 64 " --> pdb=" O ALA L 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA L 142 " --> pdb=" O LYS L 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET L 66 " --> pdb=" O LEU L 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU L 140 " --> pdb=" O MET L 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER L 68 " --> pdb=" O ILE L 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE L 138 " --> pdb=" O SER L 68 " (cutoff:3.500A) removed outlier: 11.083A pdb=" N THR L 70 " --> pdb=" O LYS L 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS L 136 " --> pdb=" O THR L 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG L 72 " --> pdb=" O PHE L 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE L 134 " --> pdb=" O ARG L 72 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'L' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU L 150 " --> pdb=" O ILE L 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL L 79 " --> pdb=" O LYS L 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS L 119 " --> pdb=" O VAL L 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR L 81 " --> pdb=" O LYS L 117 " (cutoff:3.500A) removed outlier: 4.736A pdb=" N LYS L 117 " --> pdb=" O TYR L 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE L 83 " --> pdb=" O ILE L 115 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'M' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG M 72 " --> pdb=" O LYS M 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL M 163 " --> pdb=" O THR M 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR M 70 " --> pdb=" O VAL M 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU M 165 " --> pdb=" O SER M 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS M 64 " --> pdb=" O TYR M 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS M 64 " --> pdb=" O ALA M 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA M 142 " --> pdb=" O LYS M 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET M 66 " --> pdb=" O LEU M 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU M 140 " --> pdb=" O MET M 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER M 68 " --> pdb=" O ILE M 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE M 138 " --> pdb=" O SER M 68 " (cutoff:3.500A) removed outlier: 11.081A pdb=" N THR M 70 " --> pdb=" O LYS M 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS M 136 " --> pdb=" O THR M 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG M 72 " --> pdb=" O PHE M 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE M 134 " --> pdb=" O ARG M 72 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'M' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU M 150 " --> pdb=" O ILE M 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL M 79 " --> pdb=" O LYS M 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS M 119 " --> pdb=" O VAL M 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR M 81 " --> pdb=" O LYS M 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS M 117 " --> pdb=" O TYR M 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE M 83 " --> pdb=" O ILE M 115 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'N' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG N 72 " --> pdb=" O LYS N 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL N 163 " --> pdb=" O THR N 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR N 70 " --> pdb=" O VAL N 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU N 165 " --> pdb=" O SER N 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS N 64 " --> pdb=" O TYR N 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS N 64 " --> pdb=" O ALA N 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA N 142 " --> pdb=" O LYS N 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET N 66 " --> pdb=" O LEU N 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU N 140 " --> pdb=" O MET N 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER N 68 " --> pdb=" O ILE N 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE N 138 " --> pdb=" O SER N 68 " (cutoff:3.500A) removed outlier: 11.083A pdb=" N THR N 70 " --> pdb=" O LYS N 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS N 136 " --> pdb=" O THR N 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG N 72 " --> pdb=" O PHE N 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE N 134 " --> pdb=" O ARG N 72 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'N' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU N 150 " --> pdb=" O ILE N 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL N 79 " --> pdb=" O LYS N 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS N 119 " --> pdb=" O VAL N 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR N 81 " --> pdb=" O LYS N 117 " (cutoff:3.500A) removed outlier: 4.736A pdb=" N LYS N 117 " --> pdb=" O TYR N 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE N 83 " --> pdb=" O ILE N 115 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'O' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG O 72 " --> pdb=" O LYS O 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL O 163 " --> pdb=" O THR O 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR O 70 " --> pdb=" O VAL O 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU O 165 " --> pdb=" O SER O 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS O 64 " --> pdb=" O TYR O 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS O 64 " --> pdb=" O ALA O 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA O 142 " --> pdb=" O LYS O 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET O 66 " --> pdb=" O LEU O 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU O 140 " --> pdb=" O MET O 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER O 68 " --> pdb=" O ILE O 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE O 138 " --> pdb=" O SER O 68 " (cutoff:3.500A) removed outlier: 11.081A pdb=" N THR O 70 " --> pdb=" O LYS O 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS O 136 " --> pdb=" O THR O 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG O 72 " --> pdb=" O PHE O 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE O 134 " --> pdb=" O ARG O 72 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'O' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU O 150 " --> pdb=" O ILE O 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL O 79 " --> pdb=" O LYS O 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS O 119 " --> pdb=" O VAL O 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR O 81 " --> pdb=" O LYS O 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS O 117 " --> pdb=" O TYR O 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE O 83 " --> pdb=" O ILE O 115 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'P' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG P 72 " --> pdb=" O LYS P 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL P 163 " --> pdb=" O THR P 70 " (cutoff:3.500A) removed outlier: 4.724A pdb=" N THR P 70 " --> pdb=" O VAL P 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU P 165 " --> pdb=" O SER P 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS P 64 " --> pdb=" O TYR P 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS P 64 " --> pdb=" O ALA P 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA P 142 " --> pdb=" O LYS P 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET P 66 " --> pdb=" O LEU P 140 " (cutoff:3.500A) removed outlier: 11.578A pdb=" N LEU P 140 " --> pdb=" O MET P 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER P 68 " --> pdb=" O ILE P 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE P 138 " --> pdb=" O SER P 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR P 70 " --> pdb=" O LYS P 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS P 136 " --> pdb=" O THR P 70 " (cutoff:3.500A) removed outlier: 10.564A pdb=" N ARG P 72 " --> pdb=" O PHE P 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE P 134 " --> pdb=" O ARG P 72 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'P' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU P 150 " --> pdb=" O ILE P 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL P 79 " --> pdb=" O LYS P 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS P 119 " --> pdb=" O VAL P 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR P 81 " --> pdb=" O LYS P 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS P 117 " --> pdb=" O TYR P 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE P 83 " --> pdb=" O ILE P 115 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'Q' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG Q 72 " --> pdb=" O LYS Q 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL Q 163 " --> pdb=" O THR Q 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR Q 70 " --> pdb=" O VAL Q 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU Q 165 " --> pdb=" O SER Q 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS Q 64 " --> pdb=" O TYR Q 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS Q 64 " --> pdb=" O ALA Q 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA Q 142 " --> pdb=" O LYS Q 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET Q 66 " --> pdb=" O LEU Q 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU Q 140 " --> pdb=" O MET Q 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER Q 68 " --> pdb=" O ILE Q 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE Q 138 " --> pdb=" O SER Q 68 " (cutoff:3.500A) removed outlier: 11.081A pdb=" N THR Q 70 " --> pdb=" O LYS Q 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS Q 136 " --> pdb=" O THR Q 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG Q 72 " --> pdb=" O PHE Q 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE Q 134 " --> pdb=" O ARG Q 72 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'Q' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU Q 150 " --> pdb=" O ILE Q 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL Q 79 " --> pdb=" O LYS Q 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS Q 119 " --> pdb=" O VAL Q 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR Q 81 " --> pdb=" O LYS Q 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS Q 117 " --> pdb=" O TYR Q 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE Q 83 " --> pdb=" O ILE Q 115 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'R' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG R 72 " --> pdb=" O LYS R 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL R 163 " --> pdb=" O THR R 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR R 70 " --> pdb=" O VAL R 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU R 165 " --> pdb=" O SER R 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS R 64 " --> pdb=" O TYR R 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS R 64 " --> pdb=" O ALA R 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA R 142 " --> pdb=" O LYS R 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET R 66 " --> pdb=" O LEU R 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU R 140 " --> pdb=" O MET R 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER R 68 " --> pdb=" O ILE R 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE R 138 " --> pdb=" O SER R 68 " (cutoff:3.500A) removed outlier: 11.083A pdb=" N THR R 70 " --> pdb=" O LYS R 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS R 136 " --> pdb=" O THR R 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG R 72 " --> pdb=" O PHE R 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE R 134 " --> pdb=" O ARG R 72 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'R' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU R 150 " --> pdb=" O ILE R 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL R 79 " --> pdb=" O LYS R 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS R 119 " --> pdb=" O VAL R 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR R 81 " --> pdb=" O LYS R 117 " (cutoff:3.500A) removed outlier: 4.736A pdb=" N LYS R 117 " --> pdb=" O TYR R 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE R 83 " --> pdb=" O ILE R 115 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'S' and resid 31 through 41 removed outlier: 3.921A pdb=" N ARG S 72 " --> pdb=" O LYS S 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL S 163 " --> pdb=" O THR S 70 " (cutoff:3.500A) removed outlier: 4.722A pdb=" N THR S 70 " --> pdb=" O VAL S 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU S 165 " --> pdb=" O SER S 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS S 64 " --> pdb=" O TYR S 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS S 64 " --> pdb=" O ALA S 142 " (cutoff:3.500A) removed outlier: 11.075A pdb=" N ALA S 142 " --> pdb=" O LYS S 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET S 66 " --> pdb=" O LEU S 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU S 140 " --> pdb=" O MET S 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER S 68 " --> pdb=" O ILE S 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE S 138 " --> pdb=" O SER S 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR S 70 " --> pdb=" O LYS S 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS S 136 " --> pdb=" O THR S 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG S 72 " --> pdb=" O PHE S 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE S 134 " --> pdb=" O ARG S 72 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'S' and resid 46 through 51 removed outlier: 4.402A pdb=" N LEU S 150 " --> pdb=" O ILE S 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL S 79 " --> pdb=" O LYS S 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS S 119 " --> pdb=" O VAL S 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR S 81 " --> pdb=" O LYS S 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS S 117 " --> pdb=" O TYR S 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE S 83 " --> pdb=" O ILE S 115 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'T' and resid 31 through 41 removed outlier: 3.921A pdb=" N ARG T 72 " --> pdb=" O LYS T 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL T 163 " --> pdb=" O THR T 70 " (cutoff:3.500A) removed outlier: 4.722A pdb=" N THR T 70 " --> pdb=" O VAL T 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU T 165 " --> pdb=" O SER T 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS T 64 " --> pdb=" O TYR T 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS T 64 " --> pdb=" O ALA T 142 " (cutoff:3.500A) removed outlier: 11.075A pdb=" N ALA T 142 " --> pdb=" O LYS T 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET T 66 " --> pdb=" O LEU T 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU T 140 " --> pdb=" O MET T 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER T 68 " --> pdb=" O ILE T 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE T 138 " --> pdb=" O SER T 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR T 70 " --> pdb=" O LYS T 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS T 136 " --> pdb=" O THR T 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG T 72 " --> pdb=" O PHE T 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE T 134 " --> pdb=" O ARG T 72 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'T' and resid 46 through 51 removed outlier: 4.402A pdb=" N LEU T 150 " --> pdb=" O ILE T 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL T 79 " --> pdb=" O LYS T 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS T 119 " --> pdb=" O VAL T 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR T 81 " --> pdb=" O LYS T 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS T 117 " --> pdb=" O TYR T 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE T 83 " --> pdb=" O ILE T 115 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'U' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG U 72 " --> pdb=" O LYS U 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL U 163 " --> pdb=" O THR U 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR U 70 " --> pdb=" O VAL U 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU U 165 " --> pdb=" O SER U 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS U 64 " --> pdb=" O TYR U 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS U 64 " --> pdb=" O ALA U 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA U 142 " --> pdb=" O LYS U 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET U 66 " --> pdb=" O LEU U 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU U 140 " --> pdb=" O MET U 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER U 68 " --> pdb=" O ILE U 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE U 138 " --> pdb=" O SER U 68 " (cutoff:3.500A) removed outlier: 11.081A pdb=" N THR U 70 " --> pdb=" O LYS U 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS U 136 " --> pdb=" O THR U 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG U 72 " --> pdb=" O PHE U 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE U 134 " --> pdb=" O ARG U 72 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'U' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU U 150 " --> pdb=" O ILE U 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL U 79 " --> pdb=" O LYS U 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS U 119 " --> pdb=" O VAL U 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR U 81 " --> pdb=" O LYS U 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS U 117 " --> pdb=" O TYR U 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE U 83 " --> pdb=" O ILE U 115 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'V' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG V 72 " --> pdb=" O LYS V 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL V 163 " --> pdb=" O THR V 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR V 70 " --> pdb=" O VAL V 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU V 165 " --> pdb=" O SER V 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS V 64 " --> pdb=" O TYR V 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS V 64 " --> pdb=" O ALA V 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA V 142 " --> pdb=" O LYS V 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET V 66 " --> pdb=" O LEU V 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU V 140 " --> pdb=" O MET V 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER V 68 " --> pdb=" O ILE V 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE V 138 " --> pdb=" O SER V 68 " (cutoff:3.500A) removed outlier: 11.083A pdb=" N THR V 70 " --> pdb=" O LYS V 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS V 136 " --> pdb=" O THR V 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG V 72 " --> pdb=" O PHE V 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE V 134 " --> pdb=" O ARG V 72 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'V' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU V 150 " --> pdb=" O ILE V 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL V 79 " --> pdb=" O LYS V 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS V 119 " --> pdb=" O VAL V 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR V 81 " --> pdb=" O LYS V 117 " (cutoff:3.500A) removed outlier: 4.736A pdb=" N LYS V 117 " --> pdb=" O TYR V 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE V 83 " --> pdb=" O ILE V 115 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'W' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG W 72 " --> pdb=" O LYS W 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL W 163 " --> pdb=" O THR W 70 " (cutoff:3.500A) removed outlier: 4.724A pdb=" N THR W 70 " --> pdb=" O VAL W 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU W 165 " --> pdb=" O SER W 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS W 64 " --> pdb=" O TYR W 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS W 64 " --> pdb=" O ALA W 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA W 142 " --> pdb=" O LYS W 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET W 66 " --> pdb=" O LEU W 140 " (cutoff:3.500A) removed outlier: 11.578A pdb=" N LEU W 140 " --> pdb=" O MET W 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER W 68 " --> pdb=" O ILE W 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE W 138 " --> pdb=" O SER W 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR W 70 " --> pdb=" O LYS W 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS W 136 " --> pdb=" O THR W 70 " (cutoff:3.500A) removed outlier: 10.564A pdb=" N ARG W 72 " --> pdb=" O PHE W 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE W 134 " --> pdb=" O ARG W 72 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'W' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU W 150 " --> pdb=" O ILE W 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL W 79 " --> pdb=" O LYS W 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS W 119 " --> pdb=" O VAL W 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR W 81 " --> pdb=" O LYS W 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS W 117 " --> pdb=" O TYR W 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE W 83 " --> pdb=" O ILE W 115 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'X' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG X 72 " --> pdb=" O LYS X 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL X 163 " --> pdb=" O THR X 70 " (cutoff:3.500A) removed outlier: 4.724A pdb=" N THR X 70 " --> pdb=" O VAL X 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU X 165 " --> pdb=" O SER X 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS X 64 " --> pdb=" O TYR X 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS X 64 " --> pdb=" O ALA X 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA X 142 " --> pdb=" O LYS X 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET X 66 " --> pdb=" O LEU X 140 " (cutoff:3.500A) removed outlier: 11.578A pdb=" N LEU X 140 " --> pdb=" O MET X 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER X 68 " --> pdb=" O ILE X 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE X 138 " --> pdb=" O SER X 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR X 70 " --> pdb=" O LYS X 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS X 136 " --> pdb=" O THR X 70 " (cutoff:3.500A) removed outlier: 10.564A pdb=" N ARG X 72 " --> pdb=" O PHE X 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE X 134 " --> pdb=" O ARG X 72 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'X' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU X 150 " --> pdb=" O ILE X 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL X 79 " --> pdb=" O LYS X 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS X 119 " --> pdb=" O VAL X 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR X 81 " --> pdb=" O LYS X 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS X 117 " --> pdb=" O TYR X 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE X 83 " --> pdb=" O ILE X 115 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'Y' and resid 31 through 41 removed outlier: 3.921A pdb=" N ARG Y 72 " --> pdb=" O LYS Y 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL Y 163 " --> pdb=" O THR Y 70 " (cutoff:3.500A) removed outlier: 4.722A pdb=" N THR Y 70 " --> pdb=" O VAL Y 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU Y 165 " --> pdb=" O SER Y 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS Y 64 " --> pdb=" O TYR Y 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS Y 64 " --> pdb=" O ALA Y 142 " (cutoff:3.500A) removed outlier: 11.075A pdb=" N ALA Y 142 " --> pdb=" O LYS Y 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET Y 66 " --> pdb=" O LEU Y 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU Y 140 " --> pdb=" O MET Y 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER Y 68 " --> pdb=" O ILE Y 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE Y 138 " --> pdb=" O SER Y 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR Y 70 " --> pdb=" O LYS Y 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS Y 136 " --> pdb=" O THR Y 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG Y 72 " --> pdb=" O PHE Y 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE Y 134 " --> pdb=" O ARG Y 72 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'Y' and resid 46 through 51 removed outlier: 4.402A pdb=" N LEU Y 150 " --> pdb=" O ILE Y 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL Y 79 " --> pdb=" O LYS Y 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS Y 119 " --> pdb=" O VAL Y 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR Y 81 " --> pdb=" O LYS Y 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS Y 117 " --> pdb=" O TYR Y 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE Y 83 " --> pdb=" O ILE Y 115 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'Z' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG Z 72 " --> pdb=" O LYS Z 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL Z 163 " --> pdb=" O THR Z 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR Z 70 " --> pdb=" O VAL Z 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU Z 165 " --> pdb=" O SER Z 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS Z 64 " --> pdb=" O TYR Z 169 " (cutoff:3.500A) removed outlier: 9.363A pdb=" N LYS Z 64 " --> pdb=" O ALA Z 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA Z 142 " --> pdb=" O LYS Z 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET Z 66 " --> pdb=" O LEU Z 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU Z 140 " --> pdb=" O MET Z 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER Z 68 " --> pdb=" O ILE Z 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE Z 138 " --> pdb=" O SER Z 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR Z 70 " --> pdb=" O LYS Z 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS Z 136 " --> pdb=" O THR Z 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG Z 72 " --> pdb=" O PHE Z 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE Z 134 " --> pdb=" O ARG Z 72 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'Z' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU Z 150 " --> pdb=" O ILE Z 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL Z 79 " --> pdb=" O LYS Z 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS Z 119 " --> pdb=" O VAL Z 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR Z 81 " --> pdb=" O LYS Z 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS Z 117 " --> pdb=" O TYR Z 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE Z 83 " --> pdb=" O ILE Z 115 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain '0' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG 0 72 " --> pdb=" O LYS 0 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL 0 163 " --> pdb=" O THR 0 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR 0 70 " --> pdb=" O VAL 0 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU 0 165 " --> pdb=" O SER 0 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS 0 64 " --> pdb=" O TYR 0 169 " (cutoff:3.500A) removed outlier: 9.363A pdb=" N LYS 0 64 " --> pdb=" O ALA 0 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA 0 142 " --> pdb=" O LYS 0 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET 0 66 " --> pdb=" O LEU 0 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU 0 140 " --> pdb=" O MET 0 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER 0 68 " --> pdb=" O ILE 0 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE 0 138 " --> pdb=" O SER 0 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR 0 70 " --> pdb=" O LYS 0 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS 0 136 " --> pdb=" O THR 0 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG 0 72 " --> pdb=" O PHE 0 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE 0 134 " --> pdb=" O ARG 0 72 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain '0' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU 0 150 " --> pdb=" O ILE 0 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL 0 79 " --> pdb=" O LYS 0 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS 0 119 " --> pdb=" O VAL 0 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR 0 81 " --> pdb=" O LYS 0 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS 0 117 " --> pdb=" O TYR 0 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE 0 83 " --> pdb=" O ILE 0 115 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain '1' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG 1 72 " --> pdb=" O LYS 1 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL 1 163 " --> pdb=" O THR 1 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR 1 70 " --> pdb=" O VAL 1 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU 1 165 " --> pdb=" O SER 1 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS 1 64 " --> pdb=" O TYR 1 169 " (cutoff:3.500A) removed outlier: 9.363A pdb=" N LYS 1 64 " --> pdb=" O ALA 1 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA 1 142 " --> pdb=" O LYS 1 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET 1 66 " --> pdb=" O LEU 1 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU 1 140 " --> pdb=" O MET 1 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER 1 68 " --> pdb=" O ILE 1 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE 1 138 " --> pdb=" O SER 1 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR 1 70 " --> pdb=" O LYS 1 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS 1 136 " --> pdb=" O THR 1 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG 1 72 " --> pdb=" O PHE 1 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE 1 134 " --> pdb=" O ARG 1 72 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain '1' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU 1 150 " --> pdb=" O ILE 1 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL 1 79 " --> pdb=" O LYS 1 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS 1 119 " --> pdb=" O VAL 1 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR 1 81 " --> pdb=" O LYS 1 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS 1 117 " --> pdb=" O TYR 1 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE 1 83 " --> pdb=" O ILE 1 115 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain '2' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG 2 72 " --> pdb=" O LYS 2 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL 2 163 " --> pdb=" O THR 2 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR 2 70 " --> pdb=" O VAL 2 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU 2 165 " --> pdb=" O SER 2 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS 2 64 " --> pdb=" O TYR 2 169 " (cutoff:3.500A) removed outlier: 9.363A pdb=" N LYS 2 64 " --> pdb=" O ALA 2 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA 2 142 " --> pdb=" O LYS 2 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET 2 66 " --> pdb=" O LEU 2 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU 2 140 " --> pdb=" O MET 2 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER 2 68 " --> pdb=" O ILE 2 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE 2 138 " --> pdb=" O SER 2 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR 2 70 " --> pdb=" O LYS 2 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS 2 136 " --> pdb=" O THR 2 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG 2 72 " --> pdb=" O PHE 2 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE 2 134 " --> pdb=" O ARG 2 72 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain '2' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU 2 150 " --> pdb=" O ILE 2 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL 2 79 " --> pdb=" O LYS 2 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS 2 119 " --> pdb=" O VAL 2 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR 2 81 " --> pdb=" O LYS 2 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS 2 117 " --> pdb=" O TYR 2 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE 2 83 " --> pdb=" O ILE 2 115 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain '3' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG 3 72 " --> pdb=" O LYS 3 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL 3 163 " --> pdb=" O THR 3 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR 3 70 " --> pdb=" O VAL 3 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU 3 165 " --> pdb=" O SER 3 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS 3 64 " --> pdb=" O TYR 3 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS 3 64 " --> pdb=" O ALA 3 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA 3 142 " --> pdb=" O LYS 3 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET 3 66 " --> pdb=" O LEU 3 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU 3 140 " --> pdb=" O MET 3 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER 3 68 " --> pdb=" O ILE 3 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE 3 138 " --> pdb=" O SER 3 68 " (cutoff:3.500A) removed outlier: 11.081A pdb=" N THR 3 70 " --> pdb=" O LYS 3 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS 3 136 " --> pdb=" O THR 3 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG 3 72 " --> pdb=" O PHE 3 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE 3 134 " --> pdb=" O ARG 3 72 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain '3' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU 3 150 " --> pdb=" O ILE 3 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL 3 79 " --> pdb=" O LYS 3 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS 3 119 " --> pdb=" O VAL 3 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR 3 81 " --> pdb=" O LYS 3 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS 3 117 " --> pdb=" O TYR 3 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE 3 83 " --> pdb=" O ILE 3 115 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain '4' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG 4 72 " --> pdb=" O LYS 4 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL 4 163 " --> pdb=" O THR 4 70 " (cutoff:3.500A) removed outlier: 4.724A pdb=" N THR 4 70 " --> pdb=" O VAL 4 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU 4 165 " --> pdb=" O SER 4 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS 4 64 " --> pdb=" O TYR 4 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS 4 64 " --> pdb=" O ALA 4 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA 4 142 " --> pdb=" O LYS 4 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET 4 66 " --> pdb=" O LEU 4 140 " (cutoff:3.500A) removed outlier: 11.578A pdb=" N LEU 4 140 " --> pdb=" O MET 4 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER 4 68 " --> pdb=" O ILE 4 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE 4 138 " --> pdb=" O SER 4 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR 4 70 " --> pdb=" O LYS 4 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS 4 136 " --> pdb=" O THR 4 70 " (cutoff:3.500A) removed outlier: 10.564A pdb=" N ARG 4 72 " --> pdb=" O PHE 4 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE 4 134 " --> pdb=" O ARG 4 72 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain '4' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU 4 150 " --> pdb=" O ILE 4 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL 4 79 " --> pdb=" O LYS 4 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS 4 119 " --> pdb=" O VAL 4 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR 4 81 " --> pdb=" O LYS 4 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS 4 117 " --> pdb=" O TYR 4 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE 4 83 " --> pdb=" O ILE 4 115 " (cutoff:3.500A) Processing sheet with id= 63, first strand: chain '5' and resid 31 through 41 removed outlier: 3.921A pdb=" N ARG 5 72 " --> pdb=" O LYS 5 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL 5 163 " --> pdb=" O THR 5 70 " (cutoff:3.500A) removed outlier: 4.722A pdb=" N THR 5 70 " --> pdb=" O VAL 5 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU 5 165 " --> pdb=" O SER 5 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS 5 64 " --> pdb=" O TYR 5 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS 5 64 " --> pdb=" O ALA 5 142 " (cutoff:3.500A) removed outlier: 11.075A pdb=" N ALA 5 142 " --> pdb=" O LYS 5 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET 5 66 " --> pdb=" O LEU 5 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU 5 140 " --> pdb=" O MET 5 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER 5 68 " --> pdb=" O ILE 5 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE 5 138 " --> pdb=" O SER 5 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR 5 70 " --> pdb=" O LYS 5 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS 5 136 " --> pdb=" O THR 5 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG 5 72 " --> pdb=" O PHE 5 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE 5 134 " --> pdb=" O ARG 5 72 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain '5' and resid 46 through 51 removed outlier: 4.402A pdb=" N LEU 5 150 " --> pdb=" O ILE 5 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL 5 79 " --> pdb=" O LYS 5 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS 5 119 " --> pdb=" O VAL 5 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR 5 81 " --> pdb=" O LYS 5 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS 5 117 " --> pdb=" O TYR 5 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE 5 83 " --> pdb=" O ILE 5 115 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain '6' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG 6 72 " --> pdb=" O LYS 6 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL 6 163 " --> pdb=" O THR 6 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR 6 70 " --> pdb=" O VAL 6 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU 6 165 " --> pdb=" O SER 6 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS 6 64 " --> pdb=" O TYR 6 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS 6 64 " --> pdb=" O ALA 6 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA 6 142 " --> pdb=" O LYS 6 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET 6 66 " --> pdb=" O LEU 6 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU 6 140 " --> pdb=" O MET 6 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER 6 68 " --> pdb=" O ILE 6 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE 6 138 " --> pdb=" O SER 6 68 " (cutoff:3.500A) removed outlier: 11.083A pdb=" N THR 6 70 " --> pdb=" O LYS 6 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS 6 136 " --> pdb=" O THR 6 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG 6 72 " --> pdb=" O PHE 6 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE 6 134 " --> pdb=" O ARG 6 72 " (cutoff:3.500A) Processing sheet with id= 66, first strand: chain '6' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU 6 150 " --> pdb=" O ILE 6 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL 6 79 " --> pdb=" O LYS 6 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS 6 119 " --> pdb=" O VAL 6 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR 6 81 " --> pdb=" O LYS 6 117 " (cutoff:3.500A) removed outlier: 4.736A pdb=" N LYS 6 117 " --> pdb=" O TYR 6 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE 6 83 " --> pdb=" O ILE 6 115 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain '7' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG 7 72 " --> pdb=" O LYS 7 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL 7 163 " --> pdb=" O THR 7 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR 7 70 " --> pdb=" O VAL 7 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU 7 165 " --> pdb=" O SER 7 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS 7 64 " --> pdb=" O TYR 7 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS 7 64 " --> pdb=" O ALA 7 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA 7 142 " --> pdb=" O LYS 7 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET 7 66 " --> pdb=" O LEU 7 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU 7 140 " --> pdb=" O MET 7 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER 7 68 " --> pdb=" O ILE 7 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE 7 138 " --> pdb=" O SER 7 68 " (cutoff:3.500A) removed outlier: 11.081A pdb=" N THR 7 70 " --> pdb=" O LYS 7 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS 7 136 " --> pdb=" O THR 7 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG 7 72 " --> pdb=" O PHE 7 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE 7 134 " --> pdb=" O ARG 7 72 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain '7' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU 7 150 " --> pdb=" O ILE 7 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL 7 79 " --> pdb=" O LYS 7 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS 7 119 " --> pdb=" O VAL 7 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR 7 81 " --> pdb=" O LYS 7 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS 7 117 " --> pdb=" O TYR 7 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE 7 83 " --> pdb=" O ILE 7 115 " (cutoff:3.500A) Processing sheet with id= 69, first strand: chain '8' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG 8 72 " --> pdb=" O LYS 8 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL 8 163 " --> pdb=" O THR 8 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR 8 70 " --> pdb=" O VAL 8 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU 8 165 " --> pdb=" O SER 8 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS 8 64 " --> pdb=" O TYR 8 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS 8 64 " --> pdb=" O ALA 8 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA 8 142 " --> pdb=" O LYS 8 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET 8 66 " --> pdb=" O LEU 8 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU 8 140 " --> pdb=" O MET 8 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER 8 68 " --> pdb=" O ILE 8 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE 8 138 " --> pdb=" O SER 8 68 " (cutoff:3.500A) removed outlier: 11.083A pdb=" N THR 8 70 " --> pdb=" O LYS 8 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS 8 136 " --> pdb=" O THR 8 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG 8 72 " --> pdb=" O PHE 8 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE 8 134 " --> pdb=" O ARG 8 72 " (cutoff:3.500A) Processing sheet with id= 70, first strand: chain '8' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU 8 150 " --> pdb=" O ILE 8 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL 8 79 " --> pdb=" O LYS 8 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS 8 119 " --> pdb=" O VAL 8 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR 8 81 " --> pdb=" O LYS 8 117 " (cutoff:3.500A) removed outlier: 4.736A pdb=" N LYS 8 117 " --> pdb=" O TYR 8 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE 8 83 " --> pdb=" O ILE 8 115 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain '9' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG 9 72 " --> pdb=" O LYS 9 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL 9 163 " --> pdb=" O THR 9 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR 9 70 " --> pdb=" O VAL 9 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU 9 165 " --> pdb=" O SER 9 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS 9 64 " --> pdb=" O TYR 9 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS 9 64 " --> pdb=" O ALA 9 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA 9 142 " --> pdb=" O LYS 9 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET 9 66 " --> pdb=" O LEU 9 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU 9 140 " --> pdb=" O MET 9 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER 9 68 " --> pdb=" O ILE 9 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE 9 138 " --> pdb=" O SER 9 68 " (cutoff:3.500A) removed outlier: 11.081A pdb=" N THR 9 70 " --> pdb=" O LYS 9 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS 9 136 " --> pdb=" O THR 9 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG 9 72 " --> pdb=" O PHE 9 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE 9 134 " --> pdb=" O ARG 9 72 " (cutoff:3.500A) Processing sheet with id= 72, first strand: chain '9' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU 9 150 " --> pdb=" O ILE 9 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL 9 79 " --> pdb=" O LYS 9 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS 9 119 " --> pdb=" O VAL 9 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR 9 81 " --> pdb=" O LYS 9 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS 9 117 " --> pdb=" O TYR 9 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE 9 83 " --> pdb=" O ILE 9 115 " (cutoff:3.500A) Processing sheet with id= 73, first strand: chain 'a' and resid 31 through 41 removed outlier: 3.921A pdb=" N ARG a 72 " --> pdb=" O LYS a 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL a 163 " --> pdb=" O THR a 70 " (cutoff:3.500A) removed outlier: 4.722A pdb=" N THR a 70 " --> pdb=" O VAL a 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU a 165 " --> pdb=" O SER a 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS a 64 " --> pdb=" O TYR a 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS a 64 " --> pdb=" O ALA a 142 " (cutoff:3.500A) removed outlier: 11.075A pdb=" N ALA a 142 " --> pdb=" O LYS a 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET a 66 " --> pdb=" O LEU a 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU a 140 " --> pdb=" O MET a 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER a 68 " --> pdb=" O ILE a 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE a 138 " --> pdb=" O SER a 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR a 70 " --> pdb=" O LYS a 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS a 136 " --> pdb=" O THR a 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG a 72 " --> pdb=" O PHE a 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE a 134 " --> pdb=" O ARG a 72 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'a' and resid 46 through 51 removed outlier: 4.402A pdb=" N LEU a 150 " --> pdb=" O ILE a 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL a 79 " --> pdb=" O LYS a 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS a 119 " --> pdb=" O VAL a 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR a 81 " --> pdb=" O LYS a 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS a 117 " --> pdb=" O TYR a 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE a 83 " --> pdb=" O ILE a 115 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain 'b' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG b 72 " --> pdb=" O LYS b 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL b 163 " --> pdb=" O THR b 70 " (cutoff:3.500A) removed outlier: 4.724A pdb=" N THR b 70 " --> pdb=" O VAL b 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU b 165 " --> pdb=" O SER b 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS b 64 " --> pdb=" O TYR b 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS b 64 " --> pdb=" O ALA b 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA b 142 " --> pdb=" O LYS b 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET b 66 " --> pdb=" O LEU b 140 " (cutoff:3.500A) removed outlier: 11.578A pdb=" N LEU b 140 " --> pdb=" O MET b 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER b 68 " --> pdb=" O ILE b 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE b 138 " --> pdb=" O SER b 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR b 70 " --> pdb=" O LYS b 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS b 136 " --> pdb=" O THR b 70 " (cutoff:3.500A) removed outlier: 10.564A pdb=" N ARG b 72 " --> pdb=" O PHE b 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE b 134 " --> pdb=" O ARG b 72 " (cutoff:3.500A) Processing sheet with id= 76, first strand: chain 'b' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU b 150 " --> pdb=" O ILE b 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL b 79 " --> pdb=" O LYS b 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS b 119 " --> pdb=" O VAL b 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR b 81 " --> pdb=" O LYS b 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS b 117 " --> pdb=" O TYR b 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE b 83 " --> pdb=" O ILE b 115 " (cutoff:3.500A) Processing sheet with id= 77, first strand: chain 'c' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG c 72 " --> pdb=" O LYS c 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL c 163 " --> pdb=" O THR c 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR c 70 " --> pdb=" O VAL c 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU c 165 " --> pdb=" O SER c 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS c 64 " --> pdb=" O TYR c 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS c 64 " --> pdb=" O ALA c 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA c 142 " --> pdb=" O LYS c 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET c 66 " --> pdb=" O LEU c 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU c 140 " --> pdb=" O MET c 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER c 68 " --> pdb=" O ILE c 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE c 138 " --> pdb=" O SER c 68 " (cutoff:3.500A) removed outlier: 11.083A pdb=" N THR c 70 " --> pdb=" O LYS c 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS c 136 " --> pdb=" O THR c 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG c 72 " --> pdb=" O PHE c 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE c 134 " --> pdb=" O ARG c 72 " (cutoff:3.500A) Processing sheet with id= 78, first strand: chain 'c' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU c 150 " --> pdb=" O ILE c 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL c 79 " --> pdb=" O LYS c 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS c 119 " --> pdb=" O VAL c 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR c 81 " --> pdb=" O LYS c 117 " (cutoff:3.500A) removed outlier: 4.736A pdb=" N LYS c 117 " --> pdb=" O TYR c 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE c 83 " --> pdb=" O ILE c 115 " (cutoff:3.500A) Processing sheet with id= 79, first strand: chain 'd' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG d 72 " --> pdb=" O LYS d 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL d 163 " --> pdb=" O THR d 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR d 70 " --> pdb=" O VAL d 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU d 165 " --> pdb=" O SER d 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS d 64 " --> pdb=" O TYR d 169 " (cutoff:3.500A) removed outlier: 9.363A pdb=" N LYS d 64 " --> pdb=" O ALA d 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA d 142 " --> pdb=" O LYS d 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET d 66 " --> pdb=" O LEU d 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU d 140 " --> pdb=" O MET d 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER d 68 " --> pdb=" O ILE d 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE d 138 " --> pdb=" O SER d 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR d 70 " --> pdb=" O LYS d 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS d 136 " --> pdb=" O THR d 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG d 72 " --> pdb=" O PHE d 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE d 134 " --> pdb=" O ARG d 72 " (cutoff:3.500A) Processing sheet with id= 80, first strand: chain 'd' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU d 150 " --> pdb=" O ILE d 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL d 79 " --> pdb=" O LYS d 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS d 119 " --> pdb=" O VAL d 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR d 81 " --> pdb=" O LYS d 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS d 117 " --> pdb=" O TYR d 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE d 83 " --> pdb=" O ILE d 115 " (cutoff:3.500A) Processing sheet with id= 81, first strand: chain 'e' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG e 72 " --> pdb=" O LYS e 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL e 163 " --> pdb=" O THR e 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR e 70 " --> pdb=" O VAL e 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU e 165 " --> pdb=" O SER e 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS e 64 " --> pdb=" O TYR e 169 " (cutoff:3.500A) removed outlier: 9.363A pdb=" N LYS e 64 " --> pdb=" O ALA e 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA e 142 " --> pdb=" O LYS e 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET e 66 " --> pdb=" O LEU e 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU e 140 " --> pdb=" O MET e 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER e 68 " --> pdb=" O ILE e 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE e 138 " --> pdb=" O SER e 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR e 70 " --> pdb=" O LYS e 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS e 136 " --> pdb=" O THR e 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG e 72 " --> pdb=" O PHE e 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE e 134 " --> pdb=" O ARG e 72 " (cutoff:3.500A) Processing sheet with id= 82, first strand: chain 'e' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU e 150 " --> pdb=" O ILE e 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL e 79 " --> pdb=" O LYS e 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS e 119 " --> pdb=" O VAL e 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR e 81 " --> pdb=" O LYS e 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS e 117 " --> pdb=" O TYR e 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE e 83 " --> pdb=" O ILE e 115 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain 'f' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG f 72 " --> pdb=" O LYS f 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL f 163 " --> pdb=" O THR f 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR f 70 " --> pdb=" O VAL f 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU f 165 " --> pdb=" O SER f 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS f 64 " --> pdb=" O TYR f 169 " (cutoff:3.500A) removed outlier: 9.363A pdb=" N LYS f 64 " --> pdb=" O ALA f 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA f 142 " --> pdb=" O LYS f 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET f 66 " --> pdb=" O LEU f 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU f 140 " --> pdb=" O MET f 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER f 68 " --> pdb=" O ILE f 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE f 138 " --> pdb=" O SER f 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR f 70 " --> pdb=" O LYS f 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS f 136 " --> pdb=" O THR f 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG f 72 " --> pdb=" O PHE f 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE f 134 " --> pdb=" O ARG f 72 " (cutoff:3.500A) Processing sheet with id= 84, first strand: chain 'f' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU f 150 " --> pdb=" O ILE f 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL f 79 " --> pdb=" O LYS f 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS f 119 " --> pdb=" O VAL f 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR f 81 " --> pdb=" O LYS f 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS f 117 " --> pdb=" O TYR f 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE f 83 " --> pdb=" O ILE f 115 " (cutoff:3.500A) Processing sheet with id= 85, first strand: chain 'g' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG g 72 " --> pdb=" O LYS g 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL g 163 " --> pdb=" O THR g 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR g 70 " --> pdb=" O VAL g 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU g 165 " --> pdb=" O SER g 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS g 64 " --> pdb=" O TYR g 169 " (cutoff:3.500A) removed outlier: 9.363A pdb=" N LYS g 64 " --> pdb=" O ALA g 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA g 142 " --> pdb=" O LYS g 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET g 66 " --> pdb=" O LEU g 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU g 140 " --> pdb=" O MET g 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER g 68 " --> pdb=" O ILE g 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE g 138 " --> pdb=" O SER g 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR g 70 " --> pdb=" O LYS g 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS g 136 " --> pdb=" O THR g 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG g 72 " --> pdb=" O PHE g 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE g 134 " --> pdb=" O ARG g 72 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain 'g' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU g 150 " --> pdb=" O ILE g 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL g 79 " --> pdb=" O LYS g 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS g 119 " --> pdb=" O VAL g 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR g 81 " --> pdb=" O LYS g 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS g 117 " --> pdb=" O TYR g 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE g 83 " --> pdb=" O ILE g 115 " (cutoff:3.500A) Processing sheet with id= 87, first strand: chain 'h' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG h 72 " --> pdb=" O LYS h 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL h 163 " --> pdb=" O THR h 70 " (cutoff:3.500A) removed outlier: 4.724A pdb=" N THR h 70 " --> pdb=" O VAL h 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU h 165 " --> pdb=" O SER h 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS h 64 " --> pdb=" O TYR h 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS h 64 " --> pdb=" O ALA h 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA h 142 " --> pdb=" O LYS h 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET h 66 " --> pdb=" O LEU h 140 " (cutoff:3.500A) removed outlier: 11.578A pdb=" N LEU h 140 " --> pdb=" O MET h 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER h 68 " --> pdb=" O ILE h 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE h 138 " --> pdb=" O SER h 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR h 70 " --> pdb=" O LYS h 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS h 136 " --> pdb=" O THR h 70 " (cutoff:3.500A) removed outlier: 10.564A pdb=" N ARG h 72 " --> pdb=" O PHE h 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE h 134 " --> pdb=" O ARG h 72 " (cutoff:3.500A) Processing sheet with id= 88, first strand: chain 'h' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU h 150 " --> pdb=" O ILE h 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL h 79 " --> pdb=" O LYS h 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS h 119 " --> pdb=" O VAL h 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR h 81 " --> pdb=" O LYS h 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS h 117 " --> pdb=" O TYR h 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE h 83 " --> pdb=" O ILE h 115 " (cutoff:3.500A) Processing sheet with id= 89, first strand: chain 'i' and resid 31 through 41 removed outlier: 3.921A pdb=" N ARG i 72 " --> pdb=" O LYS i 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL i 163 " --> pdb=" O THR i 70 " (cutoff:3.500A) removed outlier: 4.722A pdb=" N THR i 70 " --> pdb=" O VAL i 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU i 165 " --> pdb=" O SER i 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS i 64 " --> pdb=" O TYR i 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS i 64 " --> pdb=" O ALA i 142 " (cutoff:3.500A) removed outlier: 11.075A pdb=" N ALA i 142 " --> pdb=" O LYS i 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET i 66 " --> pdb=" O LEU i 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU i 140 " --> pdb=" O MET i 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER i 68 " --> pdb=" O ILE i 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE i 138 " --> pdb=" O SER i 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR i 70 " --> pdb=" O LYS i 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS i 136 " --> pdb=" O THR i 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG i 72 " --> pdb=" O PHE i 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE i 134 " --> pdb=" O ARG i 72 " (cutoff:3.500A) Processing sheet with id= 90, first strand: chain 'i' and resid 46 through 51 removed outlier: 4.402A pdb=" N LEU i 150 " --> pdb=" O ILE i 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL i 79 " --> pdb=" O LYS i 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS i 119 " --> pdb=" O VAL i 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR i 81 " --> pdb=" O LYS i 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS i 117 " --> pdb=" O TYR i 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE i 83 " --> pdb=" O ILE i 115 " (cutoff:3.500A) Processing sheet with id= 91, first strand: chain 'j' and resid 31 through 41 removed outlier: 3.921A pdb=" N ARG j 72 " --> pdb=" O LYS j 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL j 163 " --> pdb=" O THR j 70 " (cutoff:3.500A) removed outlier: 4.722A pdb=" N THR j 70 " --> pdb=" O VAL j 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU j 165 " --> pdb=" O SER j 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS j 64 " --> pdb=" O TYR j 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS j 64 " --> pdb=" O ALA j 142 " (cutoff:3.500A) removed outlier: 11.075A pdb=" N ALA j 142 " --> pdb=" O LYS j 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET j 66 " --> pdb=" O LEU j 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU j 140 " --> pdb=" O MET j 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER j 68 " --> pdb=" O ILE j 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE j 138 " --> pdb=" O SER j 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR j 70 " --> pdb=" O LYS j 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS j 136 " --> pdb=" O THR j 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG j 72 " --> pdb=" O PHE j 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE j 134 " --> pdb=" O ARG j 72 " (cutoff:3.500A) Processing sheet with id= 92, first strand: chain 'j' and resid 46 through 51 removed outlier: 4.402A pdb=" N LEU j 150 " --> pdb=" O ILE j 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL j 79 " --> pdb=" O LYS j 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS j 119 " --> pdb=" O VAL j 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR j 81 " --> pdb=" O LYS j 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS j 117 " --> pdb=" O TYR j 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE j 83 " --> pdb=" O ILE j 115 " (cutoff:3.500A) Processing sheet with id= 93, first strand: chain 'k' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG k 72 " --> pdb=" O LYS k 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL k 163 " --> pdb=" O THR k 70 " (cutoff:3.500A) removed outlier: 4.724A pdb=" N THR k 70 " --> pdb=" O VAL k 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU k 165 " --> pdb=" O SER k 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS k 64 " --> pdb=" O TYR k 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS k 64 " --> pdb=" O ALA k 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA k 142 " --> pdb=" O LYS k 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET k 66 " --> pdb=" O LEU k 140 " (cutoff:3.500A) removed outlier: 11.578A pdb=" N LEU k 140 " --> pdb=" O MET k 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER k 68 " --> pdb=" O ILE k 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE k 138 " --> pdb=" O SER k 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR k 70 " --> pdb=" O LYS k 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS k 136 " --> pdb=" O THR k 70 " (cutoff:3.500A) removed outlier: 10.564A pdb=" N ARG k 72 " --> pdb=" O PHE k 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE k 134 " --> pdb=" O ARG k 72 " (cutoff:3.500A) Processing sheet with id= 94, first strand: chain 'k' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU k 150 " --> pdb=" O ILE k 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL k 79 " --> pdb=" O LYS k 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS k 119 " --> pdb=" O VAL k 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR k 81 " --> pdb=" O LYS k 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS k 117 " --> pdb=" O TYR k 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE k 83 " --> pdb=" O ILE k 115 " (cutoff:3.500A) Processing sheet with id= 95, first strand: chain 'l' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG l 72 " --> pdb=" O LYS l 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL l 163 " --> pdb=" O THR l 70 " (cutoff:3.500A) removed outlier: 4.724A pdb=" N THR l 70 " --> pdb=" O VAL l 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU l 165 " --> pdb=" O SER l 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS l 64 " --> pdb=" O TYR l 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS l 64 " --> pdb=" O ALA l 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA l 142 " --> pdb=" O LYS l 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET l 66 " --> pdb=" O LEU l 140 " (cutoff:3.500A) removed outlier: 11.578A pdb=" N LEU l 140 " --> pdb=" O MET l 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER l 68 " --> pdb=" O ILE l 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE l 138 " --> pdb=" O SER l 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR l 70 " --> pdb=" O LYS l 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS l 136 " --> pdb=" O THR l 70 " (cutoff:3.500A) removed outlier: 10.564A pdb=" N ARG l 72 " --> pdb=" O PHE l 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE l 134 " --> pdb=" O ARG l 72 " (cutoff:3.500A) Processing sheet with id= 96, first strand: chain 'l' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU l 150 " --> pdb=" O ILE l 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL l 79 " --> pdb=" O LYS l 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS l 119 " --> pdb=" O VAL l 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR l 81 " --> pdb=" O LYS l 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS l 117 " --> pdb=" O TYR l 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE l 83 " --> pdb=" O ILE l 115 " (cutoff:3.500A) Processing sheet with id= 97, first strand: chain 'm' and resid 31 through 41 removed outlier: 3.921A pdb=" N ARG m 72 " --> pdb=" O LYS m 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL m 163 " --> pdb=" O THR m 70 " (cutoff:3.500A) removed outlier: 4.722A pdb=" N THR m 70 " --> pdb=" O VAL m 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU m 165 " --> pdb=" O SER m 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS m 64 " --> pdb=" O TYR m 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS m 64 " --> pdb=" O ALA m 142 " (cutoff:3.500A) removed outlier: 11.075A pdb=" N ALA m 142 " --> pdb=" O LYS m 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET m 66 " --> pdb=" O LEU m 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU m 140 " --> pdb=" O MET m 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER m 68 " --> pdb=" O ILE m 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE m 138 " --> pdb=" O SER m 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR m 70 " --> pdb=" O LYS m 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS m 136 " --> pdb=" O THR m 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG m 72 " --> pdb=" O PHE m 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE m 134 " --> pdb=" O ARG m 72 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain 'm' and resid 46 through 51 removed outlier: 4.402A pdb=" N LEU m 150 " --> pdb=" O ILE m 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL m 79 " --> pdb=" O LYS m 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS m 119 " --> pdb=" O VAL m 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR m 81 " --> pdb=" O LYS m 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS m 117 " --> pdb=" O TYR m 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE m 83 " --> pdb=" O ILE m 115 " (cutoff:3.500A) Processing sheet with id= 99, first strand: chain 'n' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG n 72 " --> pdb=" O LYS n 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL n 163 " --> pdb=" O THR n 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR n 70 " --> pdb=" O VAL n 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU n 165 " --> pdb=" O SER n 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS n 64 " --> pdb=" O TYR n 169 " (cutoff:3.500A) removed outlier: 9.363A pdb=" N LYS n 64 " --> pdb=" O ALA n 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA n 142 " --> pdb=" O LYS n 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET n 66 " --> pdb=" O LEU n 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU n 140 " --> pdb=" O MET n 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER n 68 " --> pdb=" O ILE n 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE n 138 " --> pdb=" O SER n 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR n 70 " --> pdb=" O LYS n 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS n 136 " --> pdb=" O THR n 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG n 72 " --> pdb=" O PHE n 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE n 134 " --> pdb=" O ARG n 72 " (cutoff:3.500A) Processing sheet with id=100, first strand: chain 'n' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU n 150 " --> pdb=" O ILE n 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL n 79 " --> pdb=" O LYS n 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS n 119 " --> pdb=" O VAL n 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR n 81 " --> pdb=" O LYS n 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS n 117 " --> pdb=" O TYR n 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE n 83 " --> pdb=" O ILE n 115 " (cutoff:3.500A) Processing sheet with id=101, first strand: chain 'o' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG o 72 " --> pdb=" O LYS o 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL o 163 " --> pdb=" O THR o 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR o 70 " --> pdb=" O VAL o 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU o 165 " --> pdb=" O SER o 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS o 64 " --> pdb=" O TYR o 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS o 64 " --> pdb=" O ALA o 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA o 142 " --> pdb=" O LYS o 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET o 66 " --> pdb=" O LEU o 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU o 140 " --> pdb=" O MET o 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER o 68 " --> pdb=" O ILE o 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE o 138 " --> pdb=" O SER o 68 " (cutoff:3.500A) removed outlier: 11.083A pdb=" N THR o 70 " --> pdb=" O LYS o 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS o 136 " --> pdb=" O THR o 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG o 72 " --> pdb=" O PHE o 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE o 134 " --> pdb=" O ARG o 72 " (cutoff:3.500A) Processing sheet with id=102, first strand: chain 'o' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU o 150 " --> pdb=" O ILE o 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL o 79 " --> pdb=" O LYS o 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS o 119 " --> pdb=" O VAL o 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR o 81 " --> pdb=" O LYS o 117 " (cutoff:3.500A) removed outlier: 4.736A pdb=" N LYS o 117 " --> pdb=" O TYR o 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE o 83 " --> pdb=" O ILE o 115 " (cutoff:3.500A) Processing sheet with id=103, first strand: chain 'p' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG p 72 " --> pdb=" O LYS p 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL p 163 " --> pdb=" O THR p 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR p 70 " --> pdb=" O VAL p 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU p 165 " --> pdb=" O SER p 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS p 64 " --> pdb=" O TYR p 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS p 64 " --> pdb=" O ALA p 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA p 142 " --> pdb=" O LYS p 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET p 66 " --> pdb=" O LEU p 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU p 140 " --> pdb=" O MET p 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER p 68 " --> pdb=" O ILE p 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE p 138 " --> pdb=" O SER p 68 " (cutoff:3.500A) removed outlier: 11.081A pdb=" N THR p 70 " --> pdb=" O LYS p 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS p 136 " --> pdb=" O THR p 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG p 72 " --> pdb=" O PHE p 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE p 134 " --> pdb=" O ARG p 72 " (cutoff:3.500A) Processing sheet with id=104, first strand: chain 'p' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU p 150 " --> pdb=" O ILE p 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL p 79 " --> pdb=" O LYS p 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS p 119 " --> pdb=" O VAL p 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR p 81 " --> pdb=" O LYS p 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS p 117 " --> pdb=" O TYR p 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE p 83 " --> pdb=" O ILE p 115 " (cutoff:3.500A) Processing sheet with id=105, first strand: chain 'q' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG q 72 " --> pdb=" O LYS q 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL q 163 " --> pdb=" O THR q 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR q 70 " --> pdb=" O VAL q 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU q 165 " --> pdb=" O SER q 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS q 64 " --> pdb=" O TYR q 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS q 64 " --> pdb=" O ALA q 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA q 142 " --> pdb=" O LYS q 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET q 66 " --> pdb=" O LEU q 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU q 140 " --> pdb=" O MET q 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER q 68 " --> pdb=" O ILE q 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE q 138 " --> pdb=" O SER q 68 " (cutoff:3.500A) removed outlier: 11.083A pdb=" N THR q 70 " --> pdb=" O LYS q 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS q 136 " --> pdb=" O THR q 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG q 72 " --> pdb=" O PHE q 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE q 134 " --> pdb=" O ARG q 72 " (cutoff:3.500A) Processing sheet with id=106, first strand: chain 'q' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU q 150 " --> pdb=" O ILE q 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL q 79 " --> pdb=" O LYS q 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS q 119 " --> pdb=" O VAL q 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR q 81 " --> pdb=" O LYS q 117 " (cutoff:3.500A) removed outlier: 4.736A pdb=" N LYS q 117 " --> pdb=" O TYR q 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE q 83 " --> pdb=" O ILE q 115 " (cutoff:3.500A) Processing sheet with id=107, first strand: chain 'r' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG r 72 " --> pdb=" O LYS r 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL r 163 " --> pdb=" O THR r 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR r 70 " --> pdb=" O VAL r 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU r 165 " --> pdb=" O SER r 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS r 64 " --> pdb=" O TYR r 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS r 64 " --> pdb=" O ALA r 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA r 142 " --> pdb=" O LYS r 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET r 66 " --> pdb=" O LEU r 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU r 140 " --> pdb=" O MET r 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER r 68 " --> pdb=" O ILE r 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE r 138 " --> pdb=" O SER r 68 " (cutoff:3.500A) removed outlier: 11.081A pdb=" N THR r 70 " --> pdb=" O LYS r 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS r 136 " --> pdb=" O THR r 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG r 72 " --> pdb=" O PHE r 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE r 134 " --> pdb=" O ARG r 72 " (cutoff:3.500A) Processing sheet with id=108, first strand: chain 'r' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU r 150 " --> pdb=" O ILE r 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL r 79 " --> pdb=" O LYS r 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS r 119 " --> pdb=" O VAL r 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR r 81 " --> pdb=" O LYS r 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS r 117 " --> pdb=" O TYR r 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE r 83 " --> pdb=" O ILE r 115 " (cutoff:3.500A) Processing sheet with id=109, first strand: chain 's' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG s 72 " --> pdb=" O LYS s 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL s 163 " --> pdb=" O THR s 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR s 70 " --> pdb=" O VAL s 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU s 165 " --> pdb=" O SER s 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS s 64 " --> pdb=" O TYR s 169 " (cutoff:3.500A) removed outlier: 9.363A pdb=" N LYS s 64 " --> pdb=" O ALA s 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA s 142 " --> pdb=" O LYS s 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET s 66 " --> pdb=" O LEU s 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU s 140 " --> pdb=" O MET s 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER s 68 " --> pdb=" O ILE s 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE s 138 " --> pdb=" O SER s 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR s 70 " --> pdb=" O LYS s 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS s 136 " --> pdb=" O THR s 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG s 72 " --> pdb=" O PHE s 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE s 134 " --> pdb=" O ARG s 72 " (cutoff:3.500A) Processing sheet with id=110, first strand: chain 's' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU s 150 " --> pdb=" O ILE s 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL s 79 " --> pdb=" O LYS s 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS s 119 " --> pdb=" O VAL s 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR s 81 " --> pdb=" O LYS s 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS s 117 " --> pdb=" O TYR s 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE s 83 " --> pdb=" O ILE s 115 " (cutoff:3.500A) Processing sheet with id=111, first strand: chain 't' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG t 72 " --> pdb=" O LYS t 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL t 163 " --> pdb=" O THR t 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR t 70 " --> pdb=" O VAL t 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU t 165 " --> pdb=" O SER t 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS t 64 " --> pdb=" O TYR t 169 " (cutoff:3.500A) removed outlier: 9.363A pdb=" N LYS t 64 " --> pdb=" O ALA t 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA t 142 " --> pdb=" O LYS t 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET t 66 " --> pdb=" O LEU t 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU t 140 " --> pdb=" O MET t 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER t 68 " --> pdb=" O ILE t 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE t 138 " --> pdb=" O SER t 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR t 70 " --> pdb=" O LYS t 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS t 136 " --> pdb=" O THR t 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG t 72 " --> pdb=" O PHE t 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE t 134 " --> pdb=" O ARG t 72 " (cutoff:3.500A) Processing sheet with id=112, first strand: chain 't' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU t 150 " --> pdb=" O ILE t 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL t 79 " --> pdb=" O LYS t 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS t 119 " --> pdb=" O VAL t 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR t 81 " --> pdb=" O LYS t 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS t 117 " --> pdb=" O TYR t 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE t 83 " --> pdb=" O ILE t 115 " (cutoff:3.500A) Processing sheet with id=113, first strand: chain 'u' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG u 72 " --> pdb=" O LYS u 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL u 163 " --> pdb=" O THR u 70 " (cutoff:3.500A) removed outlier: 4.724A pdb=" N THR u 70 " --> pdb=" O VAL u 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU u 165 " --> pdb=" O SER u 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS u 64 " --> pdb=" O TYR u 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS u 64 " --> pdb=" O ALA u 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA u 142 " --> pdb=" O LYS u 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET u 66 " --> pdb=" O LEU u 140 " (cutoff:3.500A) removed outlier: 11.578A pdb=" N LEU u 140 " --> pdb=" O MET u 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER u 68 " --> pdb=" O ILE u 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE u 138 " --> pdb=" O SER u 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR u 70 " --> pdb=" O LYS u 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS u 136 " --> pdb=" O THR u 70 " (cutoff:3.500A) removed outlier: 10.564A pdb=" N ARG u 72 " --> pdb=" O PHE u 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE u 134 " --> pdb=" O ARG u 72 " (cutoff:3.500A) Processing sheet with id=114, first strand: chain 'u' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU u 150 " --> pdb=" O ILE u 51 " (cutoff:3.500A) removed outlier: 6.519A pdb=" N VAL u 79 " --> pdb=" O LYS u 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS u 119 " --> pdb=" O VAL u 79 " (cutoff:3.500A) removed outlier: 6.355A pdb=" N TYR u 81 " --> pdb=" O LYS u 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS u 117 " --> pdb=" O TYR u 81 " (cutoff:3.500A) removed outlier: 6.420A pdb=" N ILE u 83 " --> pdb=" O ILE u 115 " (cutoff:3.500A) Processing sheet with id=115, first strand: chain 'v' and resid 31 through 41 removed outlier: 3.921A pdb=" N ARG v 72 " --> pdb=" O LYS v 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL v 163 " --> pdb=" O THR v 70 " (cutoff:3.500A) removed outlier: 4.722A pdb=" N THR v 70 " --> pdb=" O VAL v 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU v 165 " --> pdb=" O SER v 68 " (cutoff:3.500A) removed outlier: 4.352A pdb=" N LYS v 64 " --> pdb=" O TYR v 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS v 64 " --> pdb=" O ALA v 142 " (cutoff:3.500A) removed outlier: 11.075A pdb=" N ALA v 142 " --> pdb=" O LYS v 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET v 66 " --> pdb=" O LEU v 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU v 140 " --> pdb=" O MET v 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER v 68 " --> pdb=" O ILE v 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE v 138 " --> pdb=" O SER v 68 " (cutoff:3.500A) removed outlier: 11.082A pdb=" N THR v 70 " --> pdb=" O LYS v 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS v 136 " --> pdb=" O THR v 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG v 72 " --> pdb=" O PHE v 134 " (cutoff:3.500A) removed outlier: 10.892A pdb=" N PHE v 134 " --> pdb=" O ARG v 72 " (cutoff:3.500A) Processing sheet with id=116, first strand: chain 'v' and resid 46 through 51 removed outlier: 4.402A pdb=" N LEU v 150 " --> pdb=" O ILE v 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL v 79 " --> pdb=" O LYS v 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS v 119 " --> pdb=" O VAL v 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR v 81 " --> pdb=" O LYS v 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS v 117 " --> pdb=" O TYR v 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE v 83 " --> pdb=" O ILE v 115 " (cutoff:3.500A) Processing sheet with id=117, first strand: chain 'w' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG w 72 " --> pdb=" O LYS w 161 " (cutoff:3.500A) removed outlier: 3.778A pdb=" N VAL w 163 " --> pdb=" O THR w 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR w 70 " --> pdb=" O VAL w 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU w 165 " --> pdb=" O SER w 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS w 64 " --> pdb=" O TYR w 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS w 64 " --> pdb=" O ALA w 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA w 142 " --> pdb=" O LYS w 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET w 66 " --> pdb=" O LEU w 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU w 140 " --> pdb=" O MET w 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER w 68 " --> pdb=" O ILE w 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE w 138 " --> pdb=" O SER w 68 " (cutoff:3.500A) removed outlier: 11.083A pdb=" N THR w 70 " --> pdb=" O LYS w 136 " (cutoff:3.500A) removed outlier: 12.545A pdb=" N LYS w 136 " --> pdb=" O THR w 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG w 72 " --> pdb=" O PHE w 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE w 134 " --> pdb=" O ARG w 72 " (cutoff:3.500A) Processing sheet with id=118, first strand: chain 'w' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU w 150 " --> pdb=" O ILE w 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL w 79 " --> pdb=" O LYS w 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS w 119 " --> pdb=" O VAL w 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR w 81 " --> pdb=" O LYS w 117 " (cutoff:3.500A) removed outlier: 4.736A pdb=" N LYS w 117 " --> pdb=" O TYR w 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE w 83 " --> pdb=" O ILE w 115 " (cutoff:3.500A) Processing sheet with id=119, first strand: chain 'x' and resid 31 through 41 removed outlier: 3.920A pdb=" N ARG x 72 " --> pdb=" O LYS x 161 " (cutoff:3.500A) removed outlier: 3.779A pdb=" N VAL x 163 " --> pdb=" O THR x 70 " (cutoff:3.500A) removed outlier: 4.723A pdb=" N THR x 70 " --> pdb=" O VAL x 163 " (cutoff:3.500A) removed outlier: 3.573A pdb=" N GLU x 165 " --> pdb=" O SER x 68 " (cutoff:3.500A) removed outlier: 4.351A pdb=" N LYS x 64 " --> pdb=" O TYR x 169 " (cutoff:3.500A) removed outlier: 9.362A pdb=" N LYS x 64 " --> pdb=" O ALA x 142 " (cutoff:3.500A) removed outlier: 11.076A pdb=" N ALA x 142 " --> pdb=" O LYS x 64 " (cutoff:3.500A) removed outlier: 11.037A pdb=" N MET x 66 " --> pdb=" O LEU x 140 " (cutoff:3.500A) removed outlier: 11.579A pdb=" N LEU x 140 " --> pdb=" O MET x 66 " (cutoff:3.500A) removed outlier: 10.758A pdb=" N SER x 68 " --> pdb=" O ILE x 138 " (cutoff:3.500A) removed outlier: 11.876A pdb=" N ILE x 138 " --> pdb=" O SER x 68 " (cutoff:3.500A) removed outlier: 11.081A pdb=" N THR x 70 " --> pdb=" O LYS x 136 " (cutoff:3.500A) removed outlier: 12.546A pdb=" N LYS x 136 " --> pdb=" O THR x 70 " (cutoff:3.500A) removed outlier: 10.563A pdb=" N ARG x 72 " --> pdb=" O PHE x 134 " (cutoff:3.500A) removed outlier: 10.891A pdb=" N PHE x 134 " --> pdb=" O ARG x 72 " (cutoff:3.500A) Processing sheet with id=120, first strand: chain 'x' and resid 46 through 51 removed outlier: 4.403A pdb=" N LEU x 150 " --> pdb=" O ILE x 51 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N VAL x 79 " --> pdb=" O LYS x 119 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N LYS x 119 " --> pdb=" O VAL x 79 " (cutoff:3.500A) removed outlier: 6.354A pdb=" N TYR x 81 " --> pdb=" O LYS x 117 " (cutoff:3.500A) removed outlier: 4.737A pdb=" N LYS x 117 " --> pdb=" O TYR x 81 " (cutoff:3.500A) removed outlier: 6.421A pdb=" N ILE x 83 " --> pdb=" O ILE x 115 " (cutoff:3.500A) 2220 hydrogen bonds defined for protein. 5760 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: 24.71 Time building geometry restraints manager: 23.32 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.23 - 1.34: 21480 1.34 - 1.46: 12948 1.46 - 1.57: 32952 1.57 - 1.69: 0 1.69 - 1.80: 840 Bond restraints: 68220 Sorted by residual: bond pdb=" CB ILE o 62 " pdb=" CG2 ILE o 62 " ideal model delta sigma weight residual 1.521 1.467 0.054 3.30e-02 9.18e+02 2.66e+00 bond pdb=" CB ILE L 62 " pdb=" CG2 ILE L 62 " ideal model delta sigma weight residual 1.521 1.467 0.054 3.30e-02 9.18e+02 2.66e+00 bond pdb=" CB ILE N 62 " pdb=" CG2 ILE N 62 " ideal model delta sigma weight residual 1.521 1.467 0.054 3.30e-02 9.18e+02 2.66e+00 bond pdb=" CB ILE V 62 " pdb=" CG2 ILE V 62 " ideal model delta sigma weight residual 1.521 1.467 0.054 3.30e-02 9.18e+02 2.66e+00 bond pdb=" CB ILE E 62 " pdb=" CG2 ILE E 62 " ideal model delta sigma weight residual 1.521 1.467 0.054 3.30e-02 9.18e+02 2.66e+00 ... (remaining 68215 not shown) Histogram of bond angle deviations from ideal: 98.92 - 105.89: 1320 105.89 - 112.86: 39336 112.86 - 119.83: 19788 119.83 - 126.81: 31116 126.81 - 133.78: 600 Bond angle restraints: 92160 Sorted by residual: angle pdb=" CA ALA T 99 " pdb=" C ALA T 99 " pdb=" N PRO T 100 " ideal model delta sigma weight residual 118.44 122.69 -4.25 1.59e+00 3.96e-01 7.13e+00 angle pdb=" CA ALA 5 99 " pdb=" C ALA 5 99 " pdb=" N PRO 5 100 " ideal model delta sigma weight residual 118.44 122.69 -4.25 1.59e+00 3.96e-01 7.13e+00 angle pdb=" CA ALA S 99 " pdb=" C ALA S 99 " pdb=" N PRO S 100 " ideal model delta sigma weight residual 118.44 122.69 -4.25 1.59e+00 3.96e-01 7.13e+00 angle pdb=" CA ALA C 99 " pdb=" C ALA C 99 " pdb=" N PRO C 100 " ideal model delta sigma weight residual 118.44 122.69 -4.25 1.59e+00 3.96e-01 7.13e+00 angle pdb=" CA ALA D 99 " pdb=" C ALA D 99 " pdb=" N PRO D 100 " ideal model delta sigma weight residual 118.44 122.69 -4.25 1.59e+00 3.96e-01 7.13e+00 ... (remaining 92155 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 18.05: 37440 18.05 - 36.10: 3180 36.10 - 54.15: 1020 54.15 - 72.20: 120 72.20 - 90.25: 180 Dihedral angle restraints: 41940 sinusoidal: 16500 harmonic: 25440 Sorted by residual: dihedral pdb=" CA LYS V 117 " pdb=" C LYS V 117 " pdb=" N GLY V 118 " pdb=" CA GLY V 118 " ideal model delta harmonic sigma weight residual 180.00 160.49 19.51 0 5.00e+00 4.00e-02 1.52e+01 dihedral pdb=" CA LYS L 117 " pdb=" C LYS L 117 " pdb=" N GLY L 118 " pdb=" CA GLY L 118 " ideal model delta harmonic sigma weight residual 180.00 160.49 19.51 0 5.00e+00 4.00e-02 1.52e+01 dihedral pdb=" CA LYS N 117 " pdb=" C LYS N 117 " pdb=" N GLY N 118 " pdb=" CA GLY N 118 " ideal model delta harmonic sigma weight residual 180.00 160.49 19.51 0 5.00e+00 4.00e-02 1.52e+01 ... (remaining 41937 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.041: 6252 0.041 - 0.082: 3048 0.082 - 0.123: 1476 0.123 - 0.165: 264 0.165 - 0.206: 60 Chirality restraints: 11100 Sorted by residual: chirality pdb=" CB VAL r 153 " pdb=" CA VAL r 153 " pdb=" CG1 VAL r 153 " pdb=" CG2 VAL r 153 " both_signs ideal model delta sigma weight residual False -2.63 -2.42 -0.21 2.00e-01 2.50e+01 1.06e+00 chirality pdb=" CB VAL U 153 " pdb=" CA VAL U 153 " pdb=" CG1 VAL U 153 " pdb=" CG2 VAL U 153 " both_signs ideal model delta sigma weight residual False -2.63 -2.42 -0.21 2.00e-01 2.50e+01 1.06e+00 chirality pdb=" CB VAL M 153 " pdb=" CA VAL M 153 " pdb=" CG1 VAL M 153 " pdb=" CG2 VAL M 153 " both_signs ideal model delta sigma weight residual False -2.63 -2.42 -0.21 2.00e-01 2.50e+01 1.06e+00 ... (remaining 11097 not shown) Planarity restraints: 11400 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C SER k 88 " 0.035 5.00e-02 4.00e+02 5.33e-02 4.55e+00 pdb=" N PRO k 89 " -0.092 5.00e-02 4.00e+02 pdb=" CA PRO k 89 " 0.028 5.00e-02 4.00e+02 pdb=" CD PRO k 89 " 0.029 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C SER 4 88 " 0.035 5.00e-02 4.00e+02 5.33e-02 4.55e+00 pdb=" N PRO 4 89 " -0.092 5.00e-02 4.00e+02 pdb=" CA PRO 4 89 " 0.028 5.00e-02 4.00e+02 pdb=" CD PRO 4 89 " 0.029 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C SER l 88 " -0.035 5.00e-02 4.00e+02 5.33e-02 4.55e+00 pdb=" N PRO l 89 " 0.092 5.00e-02 4.00e+02 pdb=" CA PRO l 89 " -0.028 5.00e-02 4.00e+02 pdb=" CD PRO l 89 " -0.029 5.00e-02 4.00e+02 ... (remaining 11397 not shown) Histogram of nonbonded interaction distances: 2.32 - 2.84: 22296 2.84 - 3.35: 59688 3.35 - 3.87: 123636 3.87 - 4.38: 135534 4.38 - 4.90: 238512 Nonbonded interactions: 579666 Sorted by model distance: nonbonded pdb=" O THR g 70 " pdb=" OG1 THR g 70 " model vdw 2.324 2.440 nonbonded pdb=" O THR f 70 " pdb=" OG1 THR f 70 " model vdw 2.324 2.440 nonbonded pdb=" O THR Z 70 " pdb=" OG1 THR Z 70 " model vdw 2.324 2.440 nonbonded pdb=" O THR A 70 " pdb=" OG1 THR A 70 " model vdw 2.324 2.440 nonbonded pdb=" O THR 1 70 " pdb=" OG1 THR 1 70 " model vdw 2.324 2.440 ... (remaining 579661 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: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 2.500 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: 0.070 Extract box with map and model: 14.190 Check model and map are aligned: 0.770 Set scattering table: 0.460 Process input model: 135.570 Find NCS groups from input model: 3.760 Set up NCS constraints: 0.840 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.010 Load rotamer database and sin/cos tables:2.920 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 161.090 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7962 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 : 0.010 0.054 68220 Z= 0.658 Angle : 0.916 7.128 92160 Z= 0.507 Chirality : 0.057 0.206 11100 Planarity : 0.008 0.053 11400 Dihedral : 16.630 90.247 25500 Min Nonbonded Distance : 2.324 Molprobity Statistics. All-atom Clashscore : 10.10 Ramachandran Plot: Outliers : 0.00 % Allowed : 9.72 % Favored : 90.28 % Rotamer Outliers : 11.02 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.81 (0.08), residues: 8640 helix: None (None), residues: 0 sheet: -2.17 (0.08), residues: 3660 loop : -2.89 (0.08), residues: 4980 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 17280 Ramachandran restraints generated. 8640 Oldfield, 0 Emsley, 8640 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 17280 Ramachandran restraints generated. 8640 Oldfield, 0 Emsley, 8640 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 3786 residues out of total 7620 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 840 poor density : 2946 time to evaluate : 6.430 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 840 outliers final: 240 residues processed: 3486 average time/residue: 0.7032 time to fit residues: 4082.3325 Evaluate side-chains 2516 residues out of total 7620 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 240 poor density : 2276 time to evaluate : 6.393 Switching outliers to nearest non-outliers outliers start: 240 outliers final: 0 residues processed: 240 average time/residue: 0.4949 time to fit residues: 237.9571 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 840 random chunks: chunk 709 optimal weight: 6.9990 chunk 636 optimal weight: 1.9990 chunk 353 optimal weight: 0.8980 chunk 217 optimal weight: 1.9990 chunk 429 optimal weight: 5.9990 chunk 340 optimal weight: 0.9980 chunk 658 optimal weight: 6.9990 chunk 254 optimal weight: 0.6980 chunk 400 optimal weight: 0.6980 chunk 490 optimal weight: 6.9990 chunk 762 optimal weight: 5.9990 overall best weight: 1.0582 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: F 148 GLN J 148 GLN M 148 GLN ** O 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 148 GLN 5 148 GLN ** p 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 148 GLN Total number of N/Q/H flips: 6 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7913 moved from start: 0.2497 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.025 68220 Z= 0.213 Angle : 0.603 7.731 92160 Z= 0.313 Chirality : 0.049 0.160 11100 Planarity : 0.006 0.051 11400 Dihedral : 6.472 16.891 9420 Min Nonbonded Distance : 2.216 Molprobity Statistics. All-atom Clashscore : 16.99 Ramachandran Plot: Outliers : 0.00 % Allowed : 9.10 % Favored : 90.90 % Rotamer Outliers : 4.41 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.28 (0.09), residues: 8640 helix: None (None), residues: 0 sheet: -2.20 (0.07), residues: 4140 loop : -2.07 (0.10), residues: 4500 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 17280 Ramachandran restraints generated. 8640 Oldfield, 0 Emsley, 8640 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 17280 Ramachandran restraints generated. 8640 Oldfield, 0 Emsley, 8640 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2787 residues out of total 7620 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 336 poor density : 2451 time to evaluate : 6.374 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: 336 outliers final: 168 residues processed: 2586 average time/residue: 0.6975 time to fit residues: 2993.8980 Evaluate side-chains 2431 residues out of total 7620 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 168 poor density : 2263 time to evaluate : 6.423 Switching outliers to nearest non-outliers outliers start: 168 outliers final: 0 residues processed: 168 average time/residue: 0.4970 time to fit residues: 168.1244 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 840 random chunks: chunk 423 optimal weight: 6.9990 chunk 236 optimal weight: 3.9990 chunk 634 optimal weight: 9.9990 chunk 519 optimal weight: 9.9990 chunk 210 optimal weight: 5.9990 chunk 764 optimal weight: 1.9990 chunk 825 optimal weight: 6.9990 chunk 680 optimal weight: 6.9990 chunk 757 optimal weight: 7.9990 chunk 260 optimal weight: 4.9990 chunk 613 optimal weight: 0.0970 overall best weight: 3.4186 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: C 148 GLN D 148 GLN ** F 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 148 GLN ** K 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 109 GLN Q 109 GLN S 148 GLN T 148 GLN ** U 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Y 148 GLN ** Z 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 5 148 GLN ** 7 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** a 148 GLN ** d 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** i 148 GLN ** r 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 11 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8002 moved from start: 0.3072 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 0.065 68220 Z= 0.447 Angle : 0.673 8.658 92160 Z= 0.355 Chirality : 0.052 0.231 11100 Planarity : 0.007 0.052 11400 Dihedral : 6.644 19.324 9420 Min Nonbonded Distance : 2.215 Molprobity Statistics. All-atom Clashscore : 19.73 Ramachandran Plot: Outliers : 0.00 % Allowed : 10.79 % Favored : 89.21 % Rotamer Outliers : 5.50 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.44 (0.09), residues: 8640 helix: None (None), residues: 0 sheet: -2.14 (0.08), residues: 4140 loop : -2.38 (0.09), residues: 4500 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 17280 Ramachandran restraints generated. 8640 Oldfield, 0 Emsley, 8640 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 17280 Ramachandran restraints generated. 8640 Oldfield, 0 Emsley, 8640 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2702 residues out of total 7620 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 419 poor density : 2283 time to evaluate : 6.512 Fit side-chains outliers start: 419 outliers final: 238 residues processed: 2528 average time/residue: 0.6961 time to fit residues: 2961.6961 Evaluate side-chains 2392 residues out of total 7620 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 238 poor density : 2154 time to evaluate : 6.616 Switching outliers to nearest non-outliers outliers start: 238 outliers final: 0 residues processed: 238 average time/residue: 0.5186 time to fit residues: 245.5445 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 840 random chunks: chunk 755 optimal weight: 1.9990 chunk 574 optimal weight: 0.7980 chunk 396 optimal weight: 0.7980 chunk 84 optimal weight: 2.9990 chunk 364 optimal weight: 9.9990 chunk 513 optimal weight: 7.9990 chunk 766 optimal weight: 4.9990 chunk 811 optimal weight: 0.9990 chunk 400 optimal weight: 4.9990 chunk 726 optimal weight: 2.9990 chunk 218 optimal weight: 1.9990 overall best weight: 1.3186 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 148 GLN ** K 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Z 148 GLN ** Z 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 0 148 GLN 1 148 GLN 2 148 GLN ** 3 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 8 123 ASN ** 9 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** c 123 ASN d 148 GLN ** d 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** e 148 GLN f 148 GLN g 148 GLN n 148 GLN o 123 ASN s 148 GLN ** s 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** t 148 GLN ** x 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 15 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7929 moved from start: 0.3352 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.040 68220 Z= 0.238 Angle : 0.598 7.890 92160 Z= 0.310 Chirality : 0.050 0.240 11100 Planarity : 0.006 0.047 11400 Dihedral : 6.265 18.373 9420 Min Nonbonded Distance : 2.212 Molprobity Statistics. All-atom Clashscore : 17.93 Ramachandran Plot: Outliers : 0.00 % Allowed : 9.94 % Favored : 90.06 % Rotamer Outliers : 3.94 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.29 (0.09), residues: 8640 helix: None (None), residues: 0 sheet: -1.98 (0.08), residues: 4140 loop : -2.34 (0.09), residues: 4500 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 17280 Ramachandran restraints generated. 8640 Oldfield, 0 Emsley, 8640 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 17280 Ramachandran restraints generated. 8640 Oldfield, 0 Emsley, 8640 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2562 residues out of total 7620 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 300 poor density : 2262 time to evaluate : 6.428 Fit side-chains outliers start: 300 outliers final: 99 residues processed: 2416 average time/residue: 0.7288 time to fit residues: 2929.7631 Evaluate side-chains 2154 residues out of total 7620 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 99 poor density : 2055 time to evaluate : 6.386 Switching outliers to nearest non-outliers outliers start: 99 outliers final: 0 residues processed: 99 average time/residue: 0.5155 time to fit residues: 105.4633 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 840 random chunks: chunk 676 optimal weight: 0.7980 chunk 460 optimal weight: 0.9990 chunk 11 optimal weight: 6.9990 chunk 604 optimal weight: 7.9990 chunk 335 optimal weight: 6.9990 chunk 692 optimal weight: 0.0370 chunk 561 optimal weight: 9.9990 chunk 0 optimal weight: 10.0000 chunk 414 optimal weight: 3.9990 chunk 728 optimal weight: 8.9990 chunk 204 optimal weight: 4.9990 overall best weight: 2.1664 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 148 GLN ** A 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 148 GLN G 148 GLN ** G 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 123 ASN I 148 GLN ** I 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 123 ASN ** O 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 148 GLN ** Q 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** W 148 GLN X 148 GLN Z 109 GLN 0 148 GLN ** 1 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 2 148 GLN 4 148 GLN 8 123 ASN b 148 GLN c 123 ASN d 109 GLN ** e 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** f 148 GLN ** f 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** g 148 GLN ** g 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** h 148 GLN k 148 GLN l 148 GLN ** n 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** o 123 ASN ** p 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** s 109 GLN t 148 GLN ** t 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** u 148 GLN ** u 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** w 123 ASN Total number of N/Q/H flips: 27 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7957 moved from start: 0.3513 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.053 68220 Z= 0.318 Angle : 0.625 9.215 92160 Z= 0.324 Chirality : 0.050 0.229 11100 Planarity : 0.006 0.046 11400 Dihedral : 6.248 18.266 9420 Min Nonbonded Distance : 2.221 Molprobity Statistics. All-atom Clashscore : 19.12 Ramachandran Plot: Outliers : 0.00 % Allowed : 10.49 % Favored : 89.51 % Rotamer Outliers : 3.95 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.30 (0.09), residues: 8640 helix: None (None), residues: 0 sheet: -1.93 (0.08), residues: 4140 loop : -2.41 (0.09), residues: 4500 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 17280 Ramachandran restraints generated. 8640 Oldfield, 0 Emsley, 8640 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 17280 Ramachandran restraints generated. 8640 Oldfield, 0 Emsley, 8640 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2420 residues out of total 7620 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 301 poor density : 2119 time to evaluate : 6.499 Fit side-chains outliers start: 301 outliers final: 200 residues processed: 2265 average time/residue: 0.6917 time to fit residues: 2608.4857 Evaluate side-chains 2216 residues out of total 7620 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 200 poor density : 2016 time to evaluate : 6.477 Switching outliers to nearest non-outliers outliers start: 200 outliers final: 0 residues processed: 200 average time/residue: 0.4942 time to fit residues: 198.1176 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 840 random chunks: chunk 273 optimal weight: 0.8980 chunk 731 optimal weight: 3.9990 chunk 160 optimal weight: 1.9990 chunk 476 optimal weight: 10.0000 chunk 200 optimal weight: 4.9990 chunk 812 optimal weight: 6.9990 chunk 674 optimal weight: 0.9990 chunk 376 optimal weight: 1.9990 chunk 67 optimal weight: 0.9980 chunk 268 optimal weight: 6.9990 chunk 426 optimal weight: 0.6980 overall best weight: 1.1184 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 148 GLN G 148 GLN I 148 GLN ** O 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 148 GLN ** Q 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** W 148 GLN X 148 GLN Z 109 GLN 4 148 GLN 8 123 ASN b 148 GLN c 123 ASN d 109 GLN f 166 HIS g 166 HIS h 148 GLN k 148 GLN l 148 GLN o 123 ASN ** p 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** s 109 GLN ** t 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** u 148 GLN Total number of N/Q/H flips: 20 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7913 moved from start: 0.3742 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.062 68220 Z= 0.226 Angle : 0.603 8.587 92160 Z= 0.310 Chirality : 0.050 0.240 11100 Planarity : 0.005 0.044 11400 Dihedral : 6.110 18.693 9420 Min Nonbonded Distance : 2.175 Molprobity Statistics. All-atom Clashscore : 17.61 Ramachandran Plot: Outliers : 0.00 % Allowed : 9.64 % Favored : 90.36 % Rotamer Outliers : 2.73 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.16 (0.09), residues: 8640 helix: None (None), residues: 0 sheet: -1.83 (0.08), residues: 4140 loop : -2.32 (0.09), residues: 4500 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 17280 Ramachandran restraints generated. 8640 Oldfield, 0 Emsley, 8640 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 17280 Ramachandran restraints generated. 8640 Oldfield, 0 Emsley, 8640 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2426 residues out of total 7620 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 208 poor density : 2218 time to evaluate : 6.412 Fit side-chains outliers start: 208 outliers final: 63 residues processed: 2337 average time/residue: 0.7103 time to fit residues: 2729.7207 Evaluate side-chains 2100 residues out of total 7620 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 63 poor density : 2037 time to evaluate : 6.436 Switching outliers to nearest non-outliers outliers start: 63 outliers final: 0 residues processed: 63 average time/residue: 0.5071 time to fit residues: 69.5409 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 840 random chunks: chunk 783 optimal weight: 7.9990 chunk 91 optimal weight: 0.7980 chunk 463 optimal weight: 7.9990 chunk 593 optimal weight: 2.9990 chunk 459 optimal weight: 0.9990 chunk 684 optimal weight: 1.9990 chunk 453 optimal weight: 2.9990 chunk 809 optimal weight: 0.9980 chunk 506 optimal weight: 5.9990 chunk 493 optimal weight: 5.9990 chunk 373 optimal weight: 10.0000 overall best weight: 1.5586 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 148 GLN G 148 GLN ** G 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** I 148 GLN ** I 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 148 GLN S 148 GLN W 148 GLN X 148 GLN Z 109 GLN ** 1 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 4 148 GLN b 148 GLN d 109 GLN ** e 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** h 148 GLN k 148 GLN l 148 GLN ** n 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** s 109 GLN u 148 GLN ** u 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 16 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7926 moved from start: 0.3847 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.049 68220 Z= 0.261 Angle : 0.616 8.554 92160 Z= 0.318 Chirality : 0.050 0.247 11100 Planarity : 0.005 0.043 11400 Dihedral : 6.073 18.303 9420 Min Nonbonded Distance : 2.229 Molprobity Statistics. All-atom Clashscore : 18.17 Ramachandran Plot: Outliers : 0.00 % Allowed : 9.78 % Favored : 90.22 % Rotamer Outliers : 2.35 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.11 (0.09), residues: 8640 helix: None (None), residues: 0 sheet: -1.76 (0.08), residues: 4140 loop : -2.35 (0.09), residues: 4500 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 17280 Ramachandran restraints generated. 8640 Oldfield, 0 Emsley, 8640 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 17280 Ramachandran restraints generated. 8640 Oldfield, 0 Emsley, 8640 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2279 residues out of total 7620 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 179 poor density : 2100 time to evaluate : 6.497 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 179 outliers final: 97 residues processed: 2165 average time/residue: 0.7254 time to fit residues: 2588.3443 Evaluate side-chains 2118 residues out of total 7620 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 97 poor density : 2021 time to evaluate : 6.400 Switching outliers to nearest non-outliers outliers start: 97 outliers final: 0 residues processed: 97 average time/residue: 0.5345 time to fit residues: 107.2544 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 840 random chunks: chunk 500 optimal weight: 3.9990 chunk 323 optimal weight: 9.9990 chunk 483 optimal weight: 0.7980 chunk 243 optimal weight: 4.9990 chunk 159 optimal weight: 3.9990 chunk 156 optimal weight: 6.9990 chunk 514 optimal weight: 5.9990 chunk 551 optimal weight: 5.9990 chunk 400 optimal weight: 4.9990 chunk 75 optimal weight: 1.9990 chunk 636 optimal weight: 5.9990 overall best weight: 3.1588 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: B 148 GLN C 148 GLN G 148 GLN ** G 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** I 148 GLN ** I 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 148 GLN S 148 GLN T 148 GLN W 148 GLN X 148 GLN ** Z 36 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 4 148 GLN a 148 GLN b 148 GLN ** d 36 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 166 HIS g 166 HIS h 148 GLN k 148 GLN l 148 GLN ** s 36 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 148 GLN ** u 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 18 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7989 moved from start: 0.3831 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 0.057 68220 Z= 0.423 Angle : 0.675 8.854 92160 Z= 0.351 Chirality : 0.052 0.300 11100 Planarity : 0.006 0.048 11400 Dihedral : 6.418 18.454 9420 Min Nonbonded Distance : 2.165 Molprobity Statistics. All-atom Clashscore : 20.06 Ramachandran Plot: Outliers : 0.00 % Allowed : 11.55 % Favored : 88.45 % Rotamer Outliers : 2.66 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.16 (0.09), residues: 8640 helix: None (None), residues: 0 sheet: -1.70 (0.08), residues: 3960 loop : -2.47 (0.09), residues: 4680 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 17280 Ramachandran restraints generated. 8640 Oldfield, 0 Emsley, 8640 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 17280 Ramachandran restraints generated. 8640 Oldfield, 0 Emsley, 8640 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2302 residues out of total 7620 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 203 poor density : 2099 time to evaluate : 6.561 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 203 outliers final: 117 residues processed: 2196 average time/residue: 0.7198 time to fit residues: 2620.4302 Evaluate side-chains 2137 residues out of total 7620 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 117 poor density : 2020 time to evaluate : 6.433 Switching outliers to nearest non-outliers outliers start: 117 outliers final: 0 residues processed: 117 average time/residue: 0.5090 time to fit residues: 121.8342 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 840 random chunks: chunk 736 optimal weight: 0.7980 chunk 775 optimal weight: 0.9990 chunk 707 optimal weight: 0.6980 chunk 754 optimal weight: 4.9990 chunk 454 optimal weight: 0.9990 chunk 328 optimal weight: 0.9980 chunk 592 optimal weight: 6.9990 chunk 231 optimal weight: 0.5980 chunk 681 optimal weight: 4.9990 chunk 713 optimal weight: 0.9980 chunk 751 optimal weight: 10.0000 overall best weight: 0.8180 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 148 GLN G 148 GLN I 148 GLN P 148 GLN W 148 GLN X 148 GLN ** Z 36 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 148 GLN b 148 GLN ** d 36 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 148 GLN k 148 GLN l 148 GLN ** s 36 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 148 GLN ** u 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 12 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7891 moved from start: 0.4095 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.053 68220 Z= 0.208 Angle : 0.620 9.050 92160 Z= 0.318 Chirality : 0.050 0.288 11100 Planarity : 0.005 0.043 11400 Dihedral : 6.128 19.403 9420 Min Nonbonded Distance : 2.197 Molprobity Statistics. All-atom Clashscore : 18.31 Ramachandran Plot: Outliers : 0.00 % Allowed : 9.47 % Favored : 90.53 % Rotamer Outliers : 0.96 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.00 (0.09), residues: 8640 helix: None (None), residues: 0 sheet: -1.63 (0.08), residues: 4080 loop : -2.32 (0.09), residues: 4560 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 17280 Ramachandran restraints generated. 8640 Oldfield, 0 Emsley, 8640 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 17280 Ramachandran restraints generated. 8640 Oldfield, 0 Emsley, 8640 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2162 residues out of total 7620 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 73 poor density : 2089 time to evaluate : 6.635 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 73 outliers final: 29 residues processed: 2106 average time/residue: 0.7169 time to fit residues: 2495.1997 Evaluate side-chains 1970 residues out of total 7620 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 29 poor density : 1941 time to evaluate : 6.414 Switching outliers to nearest non-outliers outliers start: 29 outliers final: 0 residues processed: 29 average time/residue: 0.5029 time to fit residues: 36.1479 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 840 random chunks: chunk 495 optimal weight: 1.9990 chunk 797 optimal weight: 5.9990 chunk 486 optimal weight: 10.0000 chunk 378 optimal weight: 0.1980 chunk 554 optimal weight: 6.9990 chunk 836 optimal weight: 0.7980 chunk 770 optimal weight: 2.9990 chunk 666 optimal weight: 0.9980 chunk 69 optimal weight: 5.9990 chunk 514 optimal weight: 7.9990 chunk 408 optimal weight: 0.0970 overall best weight: 0.8180 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 36 HIS ** A 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 148 GLN ** C 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 148 GLN I 148 GLN ** M 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 148 GLN ** Q 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** W 148 GLN X 148 GLN Z 36 HIS ** Z 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 148 GLN b 148 GLN d 36 HIS ** d 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 36 HIS f 37 GLN g 36 HIS h 148 GLN ** i 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 109 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 148 GLN l 148 GLN ** n 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** s 36 HIS ** s 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 36 HIS u 148 GLN Total number of N/Q/H flips: 20 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7877 moved from start: 0.4282 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.053 68220 Z= 0.205 Angle : 0.631 8.736 92160 Z= 0.321 Chirality : 0.050 0.287 11100 Planarity : 0.005 0.043 11400 Dihedral : 6.066 19.190 9420 Min Nonbonded Distance : 2.194 Molprobity Statistics. All-atom Clashscore : 19.17 Ramachandran Plot: Outliers : 0.00 % Allowed : 9.68 % Favored : 90.32 % Rotamer Outliers : 0.85 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.84 (0.09), residues: 8640 helix: None (None), residues: 0 sheet: -1.49 (0.08), residues: 4140 loop : -2.25 (0.09), residues: 4500 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 17280 Ramachandran restraints generated. 8640 Oldfield, 0 Emsley, 8640 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 17280 Ramachandran restraints generated. 8640 Oldfield, 0 Emsley, 8640 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2007 residues out of total 7620 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 65 poor density : 1942 time to evaluate : 6.465 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 outliers start: 65 outliers final: 29 residues processed: 1960 average time/residue: 0.7134 time to fit residues: 2305.3433 Evaluate side-chains 1911 residues out of total 7620 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 29 poor density : 1882 time to evaluate : 6.336 Switching outliers to nearest non-outliers outliers start: 29 outliers final: 0 residues processed: 29 average time/residue: 0.5109 time to fit residues: 36.3377 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 840 random chunks: chunk 529 optimal weight: 4.9990 chunk 709 optimal weight: 5.9990 chunk 204 optimal weight: 0.9990 chunk 614 optimal weight: 0.9990 chunk 98 optimal weight: 5.9990 chunk 185 optimal weight: 3.9990 chunk 667 optimal weight: 5.9990 chunk 279 optimal weight: 9.9990 chunk 685 optimal weight: 7.9990 chunk 84 optimal weight: 7.9990 chunk 122 optimal weight: 4.9990 overall best weight: 3.1990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 148 GLN ** B 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 148 GLN ** G 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** I 148 GLN ** I 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 148 GLN ** P 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** W 148 GLN ** W 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** X 148 GLN ** X 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Z 36 HIS ** Z 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 36 HIS 1 37 GLN 2 148 GLN 4 148 GLN ** 5 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 36 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 8 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 9 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** b 148 GLN ** c 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** d 36 HIS ** d 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 36 HIS e 37 GLN ** f 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 148 GLN ** h 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** k 148 GLN l 148 GLN ** l 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** n 36 HIS n 37 GLN s 36 HIS ** s 37 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 148 GLN u 148 GLN ** u 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 166 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 23 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3538 r_free = 0.3538 target = 0.107698 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 30)----------------| | r_work = 0.3382 r_free = 0.3382 target = 0.097841 restraints weight = 124352.295| |-----------------------------------------------------------------------------| r_work (start): 0.3382 rms_B_bonded: 2.35 r_work: 0.3270 rms_B_bonded: 2.70 restraints_weight: 0.5000 r_work: 0.3138 rms_B_bonded: 4.68 restraints_weight: 0.2500 r_work (final): 0.3138 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8328 moved from start: 0.4117 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.007 0.072 68220 Z= 0.429 Angle : 0.703 8.394 92160 Z= 0.366 Chirality : 0.053 0.273 11100 Planarity : 0.006 0.046 11400 Dihedral : 6.529 20.618 9420 Min Nonbonded Distance : 2.147 Molprobity Statistics. All-atom Clashscore : 22.59 Ramachandran Plot: Outliers : 0.00 % Allowed : 12.41 % Favored : 87.59 % Rotamer Outliers : 1.10 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.84 (0.09), residues: 8640 helix: None (None), residues: 0 sheet: -1.14 (0.09), residues: 3660 loop : -2.57 (0.08), residues: 4980 =============================================================================== Job complete usr+sys time: 34204.38 seconds wall clock time: 593 minutes 2.42 seconds (35582.42 seconds total)