Starting phenix.real_space_refine (version: dev) on Sat Dec 17 05:23:00 2022 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7ott_13066/12_2022/7ott_13066.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7ott_13066/12_2022/7ott_13066.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.84 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7ott_13066/12_2022/7ott_13066.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7ott_13066/12_2022/7ott_13066.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7ott_13066/12_2022/7ott_13066.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/7ott_13066/12_2022/7ott_13066.pdb" } resolution = 3.84 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= 0.007 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Convert atoms to be neutral Process input model Symmetric amino acids flipped Residue "A GLU 410": "OE1" <-> "OE2" Residue "A GLU 446": "OE1" <-> "OE2" Residue "A GLU 452": "OE1" <-> "OE2" Residue "B GLU 410": "OE1" <-> "OE2" Residue "B GLU 446": "OE1" <-> "OE2" Residue "B GLU 452": "OE1" <-> "OE2" Residue "C GLU 410": "OE1" <-> "OE2" Residue "C GLU 446": "OE1" <-> "OE2" Residue "C GLU 452": "OE1" <-> "OE2" Residue "D GLU 410": "OE1" <-> "OE2" Residue "D GLU 446": "OE1" <-> "OE2" Residue "D GLU 452": "OE1" <-> "OE2" Residue "E GLU 410": "OE1" <-> "OE2" Residue "E GLU 446": "OE1" <-> "OE2" Residue "E GLU 452": "OE1" <-> "OE2" Residue "F GLU 410": "OE1" <-> "OE2" Residue "F GLU 446": "OE1" <-> "OE2" Residue "F GLU 452": "OE1" <-> "OE2" Residue "G GLU 410": "OE1" <-> "OE2" Residue "G GLU 446": "OE1" <-> "OE2" Residue "G GLU 452": "OE1" <-> "OE2" Residue "H GLU 410": "OE1" <-> "OE2" Residue "H GLU 446": "OE1" <-> "OE2" Residue "H GLU 452": "OE1" <-> "OE2" Residue "I GLU 410": "OE1" <-> "OE2" Residue "I GLU 446": "OE1" <-> "OE2" Residue "I GLU 452": "OE1" <-> "OE2" Residue "J GLU 410": "OE1" <-> "OE2" Residue "J GLU 446": "OE1" <-> "OE2" Residue "J GLU 452": "OE1" <-> "OE2" Residue "K GLU 410": "OE1" <-> "OE2" Residue "K GLU 446": "OE1" <-> "OE2" Residue "K GLU 452": "OE1" <-> "OE2" Residue "L GLU 410": "OE1" <-> "OE2" Residue "L GLU 446": "OE1" <-> "OE2" Residue "L GLU 452": "OE1" <-> "OE2" Residue "M GLU 410": "OE1" <-> "OE2" Residue "M GLU 446": "OE1" <-> "OE2" Residue "M GLU 452": "OE1" <-> "OE2" Residue "N GLU 410": "OE1" <-> "OE2" Residue "N GLU 446": "OE1" <-> "OE2" Residue "N GLU 452": "OE1" <-> "OE2" Residue "O GLU 410": "OE1" <-> "OE2" Residue "O GLU 446": "OE1" <-> "OE2" Residue "O GLU 452": "OE1" <-> "OE2" Residue "P GLU 410": "OE1" <-> "OE2" Residue "P GLU 446": "OE1" <-> "OE2" Residue "P GLU 452": "OE1" <-> "OE2" Residue "Q GLU 410": "OE1" <-> "OE2" Residue "Q GLU 446": "OE1" <-> "OE2" Residue "Q GLU 452": "OE1" <-> "OE2" Residue "R GLU 410": "OE1" <-> "OE2" Residue "R GLU 446": "OE1" <-> "OE2" Residue "R GLU 452": "OE1" <-> "OE2" Residue "S GLU 410": "OE1" <-> "OE2" Residue "S GLU 446": "OE1" <-> "OE2" Residue "S GLU 452": "OE1" <-> "OE2" Residue "T GLU 410": "OE1" <-> "OE2" Residue "T GLU 446": "OE1" <-> "OE2" Residue "T GLU 452": "OE1" <-> "OE2" Residue "U GLU 410": "OE1" <-> "OE2" Residue "U GLU 446": "OE1" <-> "OE2" Residue "U GLU 452": "OE1" <-> "OE2" Residue "V GLU 410": "OE1" <-> "OE2" Residue "V GLU 446": "OE1" <-> "OE2" Residue "V GLU 452": "OE1" <-> "OE2" Residue "W GLU 410": "OE1" <-> "OE2" Residue "W GLU 446": "OE1" <-> "OE2" Residue "W GLU 452": "OE1" <-> "OE2" Residue "X GLU 410": "OE1" <-> "OE2" Residue "X GLU 446": "OE1" <-> "OE2" Residue "X GLU 452": "OE1" <-> "OE2" Residue "Y GLU 410": "OE1" <-> "OE2" Residue "Y GLU 446": "OE1" <-> "OE2" Residue "Y GLU 452": "OE1" <-> "OE2" Residue "Z GLU 410": "OE1" <-> "OE2" Residue "Z GLU 446": "OE1" <-> "OE2" Residue "Z GLU 452": "OE1" <-> "OE2" Residue "0 GLU 410": "OE1" <-> "OE2" Residue "0 GLU 446": "OE1" <-> "OE2" Residue "0 GLU 452": "OE1" <-> "OE2" Residue "1 GLU 410": "OE1" <-> "OE2" Residue "1 GLU 446": "OE1" <-> "OE2" Residue "1 GLU 452": "OE1" <-> "OE2" Residue "2 GLU 410": "OE1" <-> "OE2" Residue "2 GLU 446": "OE1" <-> "OE2" Residue "2 GLU 452": "OE1" <-> "OE2" Residue "3 GLU 410": "OE1" <-> "OE2" Residue "3 GLU 446": "OE1" <-> "OE2" Residue "3 GLU 452": "OE1" <-> "OE2" Residue "4 GLU 410": "OE1" <-> "OE2" Residue "4 GLU 446": "OE1" <-> "OE2" Residue "4 GLU 452": "OE1" <-> "OE2" Residue "5 GLU 410": "OE1" <-> "OE2" Residue "5 GLU 446": "OE1" <-> "OE2" Residue "5 GLU 452": "OE1" <-> "OE2" Residue "6 GLU 410": "OE1" <-> "OE2" Residue "6 GLU 446": "OE1" <-> "OE2" Residue "6 GLU 452": "OE1" <-> "OE2" Residue "7 GLU 410": "OE1" <-> "OE2" Residue "7 GLU 446": "OE1" <-> "OE2" Residue "7 GLU 452": "OE1" <-> "OE2" Residue "8 GLU 410": "OE1" <-> "OE2" Residue "8 GLU 446": "OE1" <-> "OE2" Residue "8 GLU 452": "OE1" <-> "OE2" Residue "9 GLU 410": "OE1" <-> "OE2" Residue "9 GLU 446": "OE1" <-> "OE2" Residue "9 GLU 452": "OE1" <-> "OE2" Residue "a GLU 410": "OE1" <-> "OE2" Residue "a GLU 446": "OE1" <-> "OE2" Residue "a GLU 452": "OE1" <-> "OE2" Residue "b GLU 410": "OE1" <-> "OE2" Residue "b GLU 446": "OE1" <-> "OE2" Residue "b GLU 452": "OE1" <-> "OE2" Residue "c GLU 410": "OE1" <-> "OE2" Residue "c GLU 446": "OE1" <-> "OE2" Residue "c GLU 452": "OE1" <-> "OE2" Residue "d GLU 410": "OE1" <-> "OE2" Residue "d GLU 446": "OE1" <-> "OE2" Residue "d GLU 452": "OE1" <-> "OE2" Residue "e GLU 410": "OE1" <-> "OE2" Residue "e GLU 446": "OE1" <-> "OE2" Residue "e GLU 452": "OE1" <-> "OE2" Residue "f GLU 410": "OE1" <-> "OE2" Residue "f GLU 446": "OE1" <-> "OE2" Residue "f GLU 452": "OE1" <-> "OE2" Residue "g GLU 410": "OE1" <-> "OE2" Residue "g GLU 446": "OE1" <-> "OE2" Residue "g GLU 452": "OE1" <-> "OE2" Residue "h GLU 410": "OE1" <-> "OE2" Residue "h GLU 446": "OE1" <-> "OE2" Residue "h GLU 452": "OE1" <-> "OE2" Residue "i GLU 410": "OE1" <-> "OE2" Residue "i GLU 446": "OE1" <-> "OE2" Residue "i GLU 452": "OE1" <-> "OE2" Residue "j GLU 410": "OE1" <-> "OE2" Residue "j GLU 446": "OE1" <-> "OE2" Residue "j GLU 452": "OE1" <-> "OE2" Residue "k GLU 410": "OE1" <-> "OE2" Residue "k GLU 446": "OE1" <-> "OE2" Residue "k GLU 452": "OE1" <-> "OE2" Residue "l GLU 410": "OE1" <-> "OE2" Residue "l GLU 446": "OE1" <-> "OE2" Residue "l GLU 452": "OE1" <-> "OE2" Residue "m GLU 410": "OE1" <-> "OE2" Residue "m GLU 446": "OE1" <-> "OE2" Residue "m GLU 452": "OE1" <-> "OE2" Residue "n GLU 410": "OE1" <-> "OE2" Residue "n GLU 446": "OE1" <-> "OE2" Residue "n GLU 452": "OE1" <-> "OE2" Residue "o GLU 410": "OE1" <-> "OE2" Residue "o GLU 446": "OE1" <-> "OE2" Residue "o GLU 452": "OE1" <-> "OE2" Residue "p GLU 410": "OE1" <-> "OE2" Residue "p GLU 446": "OE1" <-> "OE2" Residue "p GLU 452": "OE1" <-> "OE2" Residue "q GLU 410": "OE1" <-> "OE2" Residue "q GLU 446": "OE1" <-> "OE2" Residue "q GLU 452": "OE1" <-> "OE2" Residue "r GLU 410": "OE1" <-> "OE2" Residue "r GLU 446": "OE1" <-> "OE2" Residue "r GLU 452": "OE1" <-> "OE2" Residue "s GLU 410": "OE1" <-> "OE2" Residue "s GLU 446": "OE1" <-> "OE2" Residue "s GLU 452": "OE1" <-> "OE2" Residue "t GLU 410": "OE1" <-> "OE2" Residue "t GLU 446": "OE1" <-> "OE2" Residue "t GLU 452": "OE1" <-> "OE2" Residue "u GLU 410": "OE1" <-> "OE2" Residue "u GLU 446": "OE1" <-> "OE2" Residue "u GLU 452": "OE1" <-> "OE2" Residue "v GLU 410": "OE1" <-> "OE2" Residue "v GLU 446": "OE1" <-> "OE2" Residue "v GLU 452": "OE1" <-> "OE2" Residue "w GLU 410": "OE1" <-> "OE2" Residue "w GLU 446": "OE1" <-> "OE2" Residue "w GLU 452": "OE1" <-> "OE2" Residue "x GLU 410": "OE1" <-> "OE2" Residue "x GLU 446": "OE1" <-> "OE2" Residue "x GLU 452": "OE1" <-> "OE2" Time to flip residues: 0.25s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4807/modules/chem_data/mon_lib" Total number of atoms: 94980 Number of models: 1 Model: "" Number of chains: 60 Chain: "A" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "B" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "C" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "D" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "E" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "F" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "G" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "H" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "I" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "J" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "K" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "L" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "M" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "N" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "O" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "P" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "Q" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "R" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "S" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "T" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "U" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "V" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "W" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "X" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "Y" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "Z" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "0" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "1" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "2" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "3" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "4" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "5" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "6" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "7" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "8" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "9" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "a" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "b" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "c" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "d" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "e" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "f" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "g" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "h" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "i" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "j" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "k" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "l" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "m" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "n" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "o" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "p" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "q" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "r" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "s" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "t" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "u" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "v" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "w" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Chain: "x" Number of atoms: 1583 Number of conformers: 1 Conformer: "" Number of residues, atoms: 209, 1583 Classifications: {'peptide': 209} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 10, 'TRANS': 198} Time building chain proxies: 39.58, per 1000 atoms: 0.42 Number of scatterers: 94980 At special positions: 0 Unit cell: (255.551, 255.551, 255.551, 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 240 16.00 O 18180 8.00 N 16260 7.00 C 60300 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: 31.68 Conformation dependent library (CDL) restraints added in 11.3 seconds 24840 Ramachandran restraints generated. 12420 Oldfield, 0 Emsley, 12420 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 23400 Finding SS restraints... Secondary structure from input PDB file: 360 helices and 180 sheets defined 37.3% alpha, 22.0% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 4.17 Creating SS restraints... Processing helix chain 'A' and resid 262 through 276 Processing helix chain 'A' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE A 287 " --> pdb=" O SER A 283 " (cutoff:3.500A) Processing helix chain 'A' and resid 342 through 359 Processing helix chain 'A' and resid 362 through 366 Processing helix chain 'A' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN A 453 " --> pdb=" O LYS A 449 " (cutoff:3.500A) Processing helix chain 'A' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU A 458 " --> pdb=" O LEU A 455 " (cutoff:3.500A) Processing helix chain 'B' and resid 262 through 276 Processing helix chain 'B' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE B 287 " --> pdb=" O SER B 283 " (cutoff:3.500A) Processing helix chain 'B' and resid 342 through 359 Processing helix chain 'B' and resid 362 through 366 Processing helix chain 'B' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN B 453 " --> pdb=" O LYS B 449 " (cutoff:3.500A) Processing helix chain 'B' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU B 458 " --> pdb=" O LEU B 455 " (cutoff:3.500A) Processing helix chain 'C' and resid 262 through 276 Processing helix chain 'C' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE C 287 " --> pdb=" O SER C 283 " (cutoff:3.500A) Processing helix chain 'C' and resid 342 through 359 Processing helix chain 'C' and resid 362 through 366 Processing helix chain 'C' and resid 436 through 453 removed outlier: 4.112A pdb=" N ASN C 453 " --> pdb=" O LYS C 449 " (cutoff:3.500A) Processing helix chain 'C' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU C 458 " --> pdb=" O LEU C 455 " (cutoff:3.500A) Processing helix chain 'D' and resid 262 through 276 Processing helix chain 'D' and resid 283 through 299 removed outlier: 3.696A pdb=" N PHE D 287 " --> pdb=" O SER D 283 " (cutoff:3.500A) Processing helix chain 'D' and resid 342 through 359 Processing helix chain 'D' and resid 362 through 366 Processing helix chain 'D' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN D 453 " --> pdb=" O LYS D 449 " (cutoff:3.500A) Processing helix chain 'D' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU D 458 " --> pdb=" O LEU D 455 " (cutoff:3.500A) Processing helix chain 'E' and resid 262 through 276 Processing helix chain 'E' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE E 287 " --> pdb=" O SER E 283 " (cutoff:3.500A) Processing helix chain 'E' and resid 342 through 359 Processing helix chain 'E' and resid 362 through 366 Processing helix chain 'E' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN E 453 " --> pdb=" O LYS E 449 " (cutoff:3.500A) Processing helix chain 'E' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU E 458 " --> pdb=" O LEU E 455 " (cutoff:3.500A) Processing helix chain 'F' and resid 262 through 276 Processing helix chain 'F' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE F 287 " --> pdb=" O SER F 283 " (cutoff:3.500A) Processing helix chain 'F' and resid 342 through 359 Processing helix chain 'F' and resid 362 through 366 Processing helix chain 'F' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN F 453 " --> pdb=" O LYS F 449 " (cutoff:3.500A) Processing helix chain 'F' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU F 458 " --> pdb=" O LEU F 455 " (cutoff:3.500A) Processing helix chain 'G' and resid 262 through 276 Processing helix chain 'G' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE G 287 " --> pdb=" O SER G 283 " (cutoff:3.500A) Processing helix chain 'G' and resid 342 through 359 Processing helix chain 'G' and resid 362 through 366 Processing helix chain 'G' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN G 453 " --> pdb=" O LYS G 449 " (cutoff:3.500A) Processing helix chain 'G' and resid 454 through 458 removed outlier: 3.914A pdb=" N LEU G 458 " --> pdb=" O LEU G 455 " (cutoff:3.500A) Processing helix chain 'H' and resid 262 through 276 Processing helix chain 'H' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE H 287 " --> pdb=" O SER H 283 " (cutoff:3.500A) Processing helix chain 'H' and resid 342 through 359 Processing helix chain 'H' and resid 362 through 366 Processing helix chain 'H' and resid 436 through 453 removed outlier: 4.110A pdb=" N ASN H 453 " --> pdb=" O LYS H 449 " (cutoff:3.500A) Processing helix chain 'H' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU H 458 " --> pdb=" O LEU H 455 " (cutoff:3.500A) Processing helix chain 'I' and resid 262 through 276 Processing helix chain 'I' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE I 287 " --> pdb=" O SER I 283 " (cutoff:3.500A) Processing helix chain 'I' and resid 342 through 359 Processing helix chain 'I' and resid 362 through 366 Processing helix chain 'I' and resid 436 through 453 removed outlier: 4.110A pdb=" N ASN I 453 " --> pdb=" O LYS I 449 " (cutoff:3.500A) Processing helix chain 'I' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU I 458 " --> pdb=" O LEU I 455 " (cutoff:3.500A) Processing helix chain 'J' and resid 262 through 276 Processing helix chain 'J' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE J 287 " --> pdb=" O SER J 283 " (cutoff:3.500A) Processing helix chain 'J' and resid 342 through 359 Processing helix chain 'J' and resid 362 through 366 Processing helix chain 'J' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN J 453 " --> pdb=" O LYS J 449 " (cutoff:3.500A) Processing helix chain 'J' and resid 454 through 458 removed outlier: 3.914A pdb=" N LEU J 458 " --> pdb=" O LEU J 455 " (cutoff:3.500A) Processing helix chain 'K' and resid 262 through 276 Processing helix chain 'K' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE K 287 " --> pdb=" O SER K 283 " (cutoff:3.500A) Processing helix chain 'K' and resid 342 through 359 Processing helix chain 'K' and resid 362 through 366 Processing helix chain 'K' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN K 453 " --> pdb=" O LYS K 449 " (cutoff:3.500A) Processing helix chain 'K' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU K 458 " --> pdb=" O LEU K 455 " (cutoff:3.500A) Processing helix chain 'L' and resid 262 through 276 Processing helix chain 'L' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE L 287 " --> pdb=" O SER L 283 " (cutoff:3.500A) Processing helix chain 'L' and resid 342 through 359 Processing helix chain 'L' and resid 362 through 366 Processing helix chain 'L' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN L 453 " --> pdb=" O LYS L 449 " (cutoff:3.500A) Processing helix chain 'L' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU L 458 " --> pdb=" O LEU L 455 " (cutoff:3.500A) Processing helix chain 'M' and resid 262 through 276 Processing helix chain 'M' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE M 287 " --> pdb=" O SER M 283 " (cutoff:3.500A) Processing helix chain 'M' and resid 342 through 359 Processing helix chain 'M' and resid 362 through 366 Processing helix chain 'M' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN M 453 " --> pdb=" O LYS M 449 " (cutoff:3.500A) Processing helix chain 'M' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU M 458 " --> pdb=" O LEU M 455 " (cutoff:3.500A) Processing helix chain 'N' and resid 262 through 276 Processing helix chain 'N' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE N 287 " --> pdb=" O SER N 283 " (cutoff:3.500A) Processing helix chain 'N' and resid 342 through 359 Processing helix chain 'N' and resid 362 through 366 Processing helix chain 'N' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN N 453 " --> pdb=" O LYS N 449 " (cutoff:3.500A) Processing helix chain 'N' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU N 458 " --> pdb=" O LEU N 455 " (cutoff:3.500A) Processing helix chain 'O' and resid 262 through 276 Processing helix chain 'O' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE O 287 " --> pdb=" O SER O 283 " (cutoff:3.500A) Processing helix chain 'O' and resid 342 through 359 Processing helix chain 'O' and resid 362 through 366 Processing helix chain 'O' and resid 436 through 453 removed outlier: 4.112A pdb=" N ASN O 453 " --> pdb=" O LYS O 449 " (cutoff:3.500A) Processing helix chain 'O' and resid 454 through 458 removed outlier: 3.914A pdb=" N LEU O 458 " --> pdb=" O LEU O 455 " (cutoff:3.500A) Processing helix chain 'P' and resid 262 through 276 Processing helix chain 'P' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE P 287 " --> pdb=" O SER P 283 " (cutoff:3.500A) Processing helix chain 'P' and resid 342 through 359 Processing helix chain 'P' and resid 362 through 366 Processing helix chain 'P' and resid 436 through 453 removed outlier: 4.110A pdb=" N ASN P 453 " --> pdb=" O LYS P 449 " (cutoff:3.500A) Processing helix chain 'P' and resid 454 through 458 removed outlier: 3.914A pdb=" N LEU P 458 " --> pdb=" O LEU P 455 " (cutoff:3.500A) Processing helix chain 'Q' and resid 262 through 276 Processing helix chain 'Q' and resid 283 through 299 removed outlier: 3.696A pdb=" N PHE Q 287 " --> pdb=" O SER Q 283 " (cutoff:3.500A) Processing helix chain 'Q' and resid 342 through 359 Processing helix chain 'Q' and resid 362 through 366 Processing helix chain 'Q' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN Q 453 " --> pdb=" O LYS Q 449 " (cutoff:3.500A) Processing helix chain 'Q' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU Q 458 " --> pdb=" O LEU Q 455 " (cutoff:3.500A) Processing helix chain 'R' and resid 262 through 276 Processing helix chain 'R' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE R 287 " --> pdb=" O SER R 283 " (cutoff:3.500A) Processing helix chain 'R' and resid 342 through 359 Processing helix chain 'R' and resid 362 through 366 Processing helix chain 'R' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN R 453 " --> pdb=" O LYS R 449 " (cutoff:3.500A) Processing helix chain 'R' and resid 454 through 458 removed outlier: 3.914A pdb=" N LEU R 458 " --> pdb=" O LEU R 455 " (cutoff:3.500A) Processing helix chain 'S' and resid 262 through 276 Processing helix chain 'S' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE S 287 " --> pdb=" O SER S 283 " (cutoff:3.500A) Processing helix chain 'S' and resid 342 through 359 Processing helix chain 'S' and resid 362 through 366 Processing helix chain 'S' and resid 436 through 453 removed outlier: 4.110A pdb=" N ASN S 453 " --> pdb=" O LYS S 449 " (cutoff:3.500A) Processing helix chain 'S' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU S 458 " --> pdb=" O LEU S 455 " (cutoff:3.500A) Processing helix chain 'T' and resid 262 through 276 Processing helix chain 'T' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE T 287 " --> pdb=" O SER T 283 " (cutoff:3.500A) Processing helix chain 'T' and resid 342 through 359 Processing helix chain 'T' and resid 362 through 366 Processing helix chain 'T' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN T 453 " --> pdb=" O LYS T 449 " (cutoff:3.500A) Processing helix chain 'T' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU T 458 " --> pdb=" O LEU T 455 " (cutoff:3.500A) Processing helix chain 'U' and resid 262 through 276 Processing helix chain 'U' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE U 287 " --> pdb=" O SER U 283 " (cutoff:3.500A) Processing helix chain 'U' and resid 342 through 359 Processing helix chain 'U' and resid 362 through 366 Processing helix chain 'U' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN U 453 " --> pdb=" O LYS U 449 " (cutoff:3.500A) Processing helix chain 'U' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU U 458 " --> pdb=" O LEU U 455 " (cutoff:3.500A) Processing helix chain 'V' and resid 262 through 276 Processing helix chain 'V' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE V 287 " --> pdb=" O SER V 283 " (cutoff:3.500A) Processing helix chain 'V' and resid 342 through 359 Processing helix chain 'V' and resid 362 through 366 Processing helix chain 'V' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN V 453 " --> pdb=" O LYS V 449 " (cutoff:3.500A) Processing helix chain 'V' and resid 454 through 458 removed outlier: 3.914A pdb=" N LEU V 458 " --> pdb=" O LEU V 455 " (cutoff:3.500A) Processing helix chain 'W' and resid 262 through 276 Processing helix chain 'W' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE W 287 " --> pdb=" O SER W 283 " (cutoff:3.500A) Processing helix chain 'W' and resid 342 through 359 Processing helix chain 'W' and resid 362 through 366 Processing helix chain 'W' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN W 453 " --> pdb=" O LYS W 449 " (cutoff:3.500A) Processing helix chain 'W' and resid 454 through 458 removed outlier: 3.916A pdb=" N LEU W 458 " --> pdb=" O LEU W 455 " (cutoff:3.500A) Processing helix chain 'X' and resid 262 through 276 Processing helix chain 'X' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE X 287 " --> pdb=" O SER X 283 " (cutoff:3.500A) Processing helix chain 'X' and resid 342 through 359 Processing helix chain 'X' and resid 362 through 366 Processing helix chain 'X' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN X 453 " --> pdb=" O LYS X 449 " (cutoff:3.500A) Processing helix chain 'X' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU X 458 " --> pdb=" O LEU X 455 " (cutoff:3.500A) Processing helix chain 'Y' and resid 262 through 276 Processing helix chain 'Y' and resid 283 through 299 removed outlier: 3.696A pdb=" N PHE Y 287 " --> pdb=" O SER Y 283 " (cutoff:3.500A) Processing helix chain 'Y' and resid 342 through 359 Processing helix chain 'Y' and resid 362 through 366 Processing helix chain 'Y' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN Y 453 " --> pdb=" O LYS Y 449 " (cutoff:3.500A) Processing helix chain 'Y' and resid 454 through 458 removed outlier: 3.914A pdb=" N LEU Y 458 " --> pdb=" O LEU Y 455 " (cutoff:3.500A) Processing helix chain 'Z' and resid 262 through 276 Processing helix chain 'Z' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE Z 287 " --> pdb=" O SER Z 283 " (cutoff:3.500A) Processing helix chain 'Z' and resid 342 through 359 Processing helix chain 'Z' and resid 362 through 366 Processing helix chain 'Z' and resid 436 through 453 removed outlier: 4.110A pdb=" N ASN Z 453 " --> pdb=" O LYS Z 449 " (cutoff:3.500A) Processing helix chain 'Z' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU Z 458 " --> pdb=" O LEU Z 455 " (cutoff:3.500A) Processing helix chain '0' and resid 262 through 276 Processing helix chain '0' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE 0 287 " --> pdb=" O SER 0 283 " (cutoff:3.500A) Processing helix chain '0' and resid 342 through 359 Processing helix chain '0' and resid 362 through 366 Processing helix chain '0' and resid 436 through 453 removed outlier: 4.112A pdb=" N ASN 0 453 " --> pdb=" O LYS 0 449 " (cutoff:3.500A) Processing helix chain '0' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU 0 458 " --> pdb=" O LEU 0 455 " (cutoff:3.500A) Processing helix chain '1' and resid 262 through 276 Processing helix chain '1' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE 1 287 " --> pdb=" O SER 1 283 " (cutoff:3.500A) Processing helix chain '1' and resid 342 through 359 Processing helix chain '1' and resid 362 through 366 Processing helix chain '1' and resid 436 through 453 removed outlier: 4.110A pdb=" N ASN 1 453 " --> pdb=" O LYS 1 449 " (cutoff:3.500A) Processing helix chain '1' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU 1 458 " --> pdb=" O LEU 1 455 " (cutoff:3.500A) Processing helix chain '2' and resid 262 through 276 Processing helix chain '2' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE 2 287 " --> pdb=" O SER 2 283 " (cutoff:3.500A) Processing helix chain '2' and resid 342 through 359 Processing helix chain '2' and resid 362 through 366 Processing helix chain '2' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN 2 453 " --> pdb=" O LYS 2 449 " (cutoff:3.500A) Processing helix chain '2' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU 2 458 " --> pdb=" O LEU 2 455 " (cutoff:3.500A) Processing helix chain '3' and resid 262 through 276 Processing helix chain '3' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE 3 287 " --> pdb=" O SER 3 283 " (cutoff:3.500A) Processing helix chain '3' and resid 342 through 359 Processing helix chain '3' and resid 362 through 366 Processing helix chain '3' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN 3 453 " --> pdb=" O LYS 3 449 " (cutoff:3.500A) Processing helix chain '3' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU 3 458 " --> pdb=" O LEU 3 455 " (cutoff:3.500A) Processing helix chain '4' and resid 262 through 276 Processing helix chain '4' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE 4 287 " --> pdb=" O SER 4 283 " (cutoff:3.500A) Processing helix chain '4' and resid 342 through 359 Processing helix chain '4' and resid 362 through 366 Processing helix chain '4' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN 4 453 " --> pdb=" O LYS 4 449 " (cutoff:3.500A) Processing helix chain '4' and resid 454 through 458 removed outlier: 3.914A pdb=" N LEU 4 458 " --> pdb=" O LEU 4 455 " (cutoff:3.500A) Processing helix chain '5' and resid 262 through 276 Processing helix chain '5' and resid 283 through 299 removed outlier: 3.698A pdb=" N PHE 5 287 " --> pdb=" O SER 5 283 " (cutoff:3.500A) Processing helix chain '5' and resid 342 through 359 Processing helix chain '5' and resid 362 through 366 Processing helix chain '5' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN 5 453 " --> pdb=" O LYS 5 449 " (cutoff:3.500A) Processing helix chain '5' and resid 454 through 458 removed outlier: 3.916A pdb=" N LEU 5 458 " --> pdb=" O LEU 5 455 " (cutoff:3.500A) Processing helix chain '6' and resid 262 through 276 Processing helix chain '6' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE 6 287 " --> pdb=" O SER 6 283 " (cutoff:3.500A) Processing helix chain '6' and resid 342 through 359 Processing helix chain '6' and resid 362 through 366 Processing helix chain '6' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN 6 453 " --> pdb=" O LYS 6 449 " (cutoff:3.500A) Processing helix chain '6' and resid 454 through 458 removed outlier: 3.914A pdb=" N LEU 6 458 " --> pdb=" O LEU 6 455 " (cutoff:3.500A) Processing helix chain '7' and resid 262 through 276 Processing helix chain '7' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE 7 287 " --> pdb=" O SER 7 283 " (cutoff:3.500A) Processing helix chain '7' and resid 342 through 359 Processing helix chain '7' and resid 362 through 366 Processing helix chain '7' and resid 436 through 453 removed outlier: 4.112A pdb=" N ASN 7 453 " --> pdb=" O LYS 7 449 " (cutoff:3.500A) Processing helix chain '7' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU 7 458 " --> pdb=" O LEU 7 455 " (cutoff:3.500A) Processing helix chain '8' and resid 262 through 276 Processing helix chain '8' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE 8 287 " --> pdb=" O SER 8 283 " (cutoff:3.500A) Processing helix chain '8' and resid 342 through 359 Processing helix chain '8' and resid 362 through 366 Processing helix chain '8' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN 8 453 " --> pdb=" O LYS 8 449 " (cutoff:3.500A) Processing helix chain '8' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU 8 458 " --> pdb=" O LEU 8 455 " (cutoff:3.500A) Processing helix chain '9' and resid 262 through 276 Processing helix chain '9' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE 9 287 " --> pdb=" O SER 9 283 " (cutoff:3.500A) Processing helix chain '9' and resid 342 through 359 Processing helix chain '9' and resid 362 through 366 Processing helix chain '9' and resid 436 through 453 removed outlier: 4.112A pdb=" N ASN 9 453 " --> pdb=" O LYS 9 449 " (cutoff:3.500A) Processing helix chain '9' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU 9 458 " --> pdb=" O LEU 9 455 " (cutoff:3.500A) Processing helix chain 'a' and resid 262 through 276 Processing helix chain 'a' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE a 287 " --> pdb=" O SER a 283 " (cutoff:3.500A) Processing helix chain 'a' and resid 342 through 359 Processing helix chain 'a' and resid 362 through 366 Processing helix chain 'a' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN a 453 " --> pdb=" O LYS a 449 " (cutoff:3.500A) Processing helix chain 'a' and resid 454 through 458 removed outlier: 3.914A pdb=" N LEU a 458 " --> pdb=" O LEU a 455 " (cutoff:3.500A) Processing helix chain 'b' and resid 262 through 276 Processing helix chain 'b' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE b 287 " --> pdb=" O SER b 283 " (cutoff:3.500A) Processing helix chain 'b' and resid 342 through 359 Processing helix chain 'b' and resid 362 through 366 Processing helix chain 'b' and resid 436 through 453 removed outlier: 4.112A pdb=" N ASN b 453 " --> pdb=" O LYS b 449 " (cutoff:3.500A) Processing helix chain 'b' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU b 458 " --> pdb=" O LEU b 455 " (cutoff:3.500A) Processing helix chain 'c' and resid 262 through 276 Processing helix chain 'c' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE c 287 " --> pdb=" O SER c 283 " (cutoff:3.500A) Processing helix chain 'c' and resid 342 through 359 Processing helix chain 'c' and resid 362 through 366 Processing helix chain 'c' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN c 453 " --> pdb=" O LYS c 449 " (cutoff:3.500A) Processing helix chain 'c' and resid 454 through 458 removed outlier: 3.914A pdb=" N LEU c 458 " --> pdb=" O LEU c 455 " (cutoff:3.500A) Processing helix chain 'd' and resid 262 through 276 Processing helix chain 'd' and resid 283 through 299 removed outlier: 3.698A pdb=" N PHE d 287 " --> pdb=" O SER d 283 " (cutoff:3.500A) Processing helix chain 'd' and resid 342 through 359 Processing helix chain 'd' and resid 362 through 366 Processing helix chain 'd' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN d 453 " --> pdb=" O LYS d 449 " (cutoff:3.500A) Processing helix chain 'd' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU d 458 " --> pdb=" O LEU d 455 " (cutoff:3.500A) Processing helix chain 'e' and resid 262 through 276 Processing helix chain 'e' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE e 287 " --> pdb=" O SER e 283 " (cutoff:3.500A) Processing helix chain 'e' and resid 342 through 359 Processing helix chain 'e' and resid 362 through 366 Processing helix chain 'e' and resid 436 through 453 removed outlier: 4.112A pdb=" N ASN e 453 " --> pdb=" O LYS e 449 " (cutoff:3.500A) Processing helix chain 'e' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU e 458 " --> pdb=" O LEU e 455 " (cutoff:3.500A) Processing helix chain 'f' and resid 262 through 276 Processing helix chain 'f' and resid 283 through 299 removed outlier: 3.698A pdb=" N PHE f 287 " --> pdb=" O SER f 283 " (cutoff:3.500A) Processing helix chain 'f' and resid 342 through 359 Processing helix chain 'f' and resid 362 through 366 Processing helix chain 'f' and resid 436 through 453 removed outlier: 4.112A pdb=" N ASN f 453 " --> pdb=" O LYS f 449 " (cutoff:3.500A) Processing helix chain 'f' and resid 454 through 458 removed outlier: 3.914A pdb=" N LEU f 458 " --> pdb=" O LEU f 455 " (cutoff:3.500A) Processing helix chain 'g' and resid 262 through 276 Processing helix chain 'g' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE g 287 " --> pdb=" O SER g 283 " (cutoff:3.500A) Processing helix chain 'g' and resid 342 through 359 Processing helix chain 'g' and resid 362 through 366 Processing helix chain 'g' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN g 453 " --> pdb=" O LYS g 449 " (cutoff:3.500A) Processing helix chain 'g' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU g 458 " --> pdb=" O LEU g 455 " (cutoff:3.500A) Processing helix chain 'h' and resid 262 through 276 Processing helix chain 'h' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE h 287 " --> pdb=" O SER h 283 " (cutoff:3.500A) Processing helix chain 'h' and resid 342 through 359 Processing helix chain 'h' and resid 362 through 366 Processing helix chain 'h' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN h 453 " --> pdb=" O LYS h 449 " (cutoff:3.500A) Processing helix chain 'h' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU h 458 " --> pdb=" O LEU h 455 " (cutoff:3.500A) Processing helix chain 'i' and resid 262 through 276 Processing helix chain 'i' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE i 287 " --> pdb=" O SER i 283 " (cutoff:3.500A) Processing helix chain 'i' and resid 342 through 359 Processing helix chain 'i' and resid 362 through 366 Processing helix chain 'i' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN i 453 " --> pdb=" O LYS i 449 " (cutoff:3.500A) Processing helix chain 'i' and resid 454 through 458 removed outlier: 3.914A pdb=" N LEU i 458 " --> pdb=" O LEU i 455 " (cutoff:3.500A) Processing helix chain 'j' and resid 262 through 276 Processing helix chain 'j' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE j 287 " --> pdb=" O SER j 283 " (cutoff:3.500A) Processing helix chain 'j' and resid 342 through 359 Processing helix chain 'j' and resid 362 through 366 Processing helix chain 'j' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN j 453 " --> pdb=" O LYS j 449 " (cutoff:3.500A) Processing helix chain 'j' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU j 458 " --> pdb=" O LEU j 455 " (cutoff:3.500A) Processing helix chain 'k' and resid 262 through 276 Processing helix chain 'k' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE k 287 " --> pdb=" O SER k 283 " (cutoff:3.500A) Processing helix chain 'k' and resid 342 through 359 Processing helix chain 'k' and resid 362 through 366 Processing helix chain 'k' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN k 453 " --> pdb=" O LYS k 449 " (cutoff:3.500A) Processing helix chain 'k' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU k 458 " --> pdb=" O LEU k 455 " (cutoff:3.500A) Processing helix chain 'l' and resid 262 through 276 Processing helix chain 'l' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE l 287 " --> pdb=" O SER l 283 " (cutoff:3.500A) Processing helix chain 'l' and resid 342 through 359 Processing helix chain 'l' and resid 362 through 366 Processing helix chain 'l' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN l 453 " --> pdb=" O LYS l 449 " (cutoff:3.500A) Processing helix chain 'l' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU l 458 " --> pdb=" O LEU l 455 " (cutoff:3.500A) Processing helix chain 'm' and resid 262 through 276 Processing helix chain 'm' and resid 283 through 299 removed outlier: 3.696A pdb=" N PHE m 287 " --> pdb=" O SER m 283 " (cutoff:3.500A) Processing helix chain 'm' and resid 342 through 359 Processing helix chain 'm' and resid 362 through 366 Processing helix chain 'm' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN m 453 " --> pdb=" O LYS m 449 " (cutoff:3.500A) Processing helix chain 'm' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU m 458 " --> pdb=" O LEU m 455 " (cutoff:3.500A) Processing helix chain 'n' and resid 262 through 276 Processing helix chain 'n' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE n 287 " --> pdb=" O SER n 283 " (cutoff:3.500A) Processing helix chain 'n' and resid 342 through 359 Processing helix chain 'n' and resid 362 through 366 Processing helix chain 'n' and resid 436 through 453 removed outlier: 4.112A pdb=" N ASN n 453 " --> pdb=" O LYS n 449 " (cutoff:3.500A) Processing helix chain 'n' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU n 458 " --> pdb=" O LEU n 455 " (cutoff:3.500A) Processing helix chain 'o' and resid 262 through 276 Processing helix chain 'o' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE o 287 " --> pdb=" O SER o 283 " (cutoff:3.500A) Processing helix chain 'o' and resid 342 through 359 Processing helix chain 'o' and resid 362 through 366 Processing helix chain 'o' and resid 436 through 453 removed outlier: 4.110A pdb=" N ASN o 453 " --> pdb=" O LYS o 449 " (cutoff:3.500A) Processing helix chain 'o' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU o 458 " --> pdb=" O LEU o 455 " (cutoff:3.500A) Processing helix chain 'p' and resid 262 through 276 Processing helix chain 'p' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE p 287 " --> pdb=" O SER p 283 " (cutoff:3.500A) Processing helix chain 'p' and resid 342 through 359 Processing helix chain 'p' and resid 362 through 366 Processing helix chain 'p' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN p 453 " --> pdb=" O LYS p 449 " (cutoff:3.500A) Processing helix chain 'p' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU p 458 " --> pdb=" O LEU p 455 " (cutoff:3.500A) Processing helix chain 'q' and resid 262 through 276 Processing helix chain 'q' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE q 287 " --> pdb=" O SER q 283 " (cutoff:3.500A) Processing helix chain 'q' and resid 342 through 359 Processing helix chain 'q' and resid 362 through 366 Processing helix chain 'q' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN q 453 " --> pdb=" O LYS q 449 " (cutoff:3.500A) Processing helix chain 'q' and resid 454 through 458 removed outlier: 3.914A pdb=" N LEU q 458 " --> pdb=" O LEU q 455 " (cutoff:3.500A) Processing helix chain 'r' and resid 262 through 276 Processing helix chain 'r' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE r 287 " --> pdb=" O SER r 283 " (cutoff:3.500A) Processing helix chain 'r' and resid 342 through 359 Processing helix chain 'r' and resid 362 through 366 Processing helix chain 'r' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN r 453 " --> pdb=" O LYS r 449 " (cutoff:3.500A) Processing helix chain 'r' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU r 458 " --> pdb=" O LEU r 455 " (cutoff:3.500A) Processing helix chain 's' and resid 262 through 276 Processing helix chain 's' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE s 287 " --> pdb=" O SER s 283 " (cutoff:3.500A) Processing helix chain 's' and resid 342 through 359 Processing helix chain 's' and resid 362 through 366 Processing helix chain 's' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN s 453 " --> pdb=" O LYS s 449 " (cutoff:3.500A) Processing helix chain 's' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU s 458 " --> pdb=" O LEU s 455 " (cutoff:3.500A) Processing helix chain 't' and resid 262 through 276 Processing helix chain 't' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE t 287 " --> pdb=" O SER t 283 " (cutoff:3.500A) Processing helix chain 't' and resid 342 through 359 Processing helix chain 't' and resid 362 through 366 Processing helix chain 't' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN t 453 " --> pdb=" O LYS t 449 " (cutoff:3.500A) Processing helix chain 't' and resid 454 through 458 removed outlier: 3.914A pdb=" N LEU t 458 " --> pdb=" O LEU t 455 " (cutoff:3.500A) Processing helix chain 'u' and resid 262 through 276 Processing helix chain 'u' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE u 287 " --> pdb=" O SER u 283 " (cutoff:3.500A) Processing helix chain 'u' and resid 342 through 359 Processing helix chain 'u' and resid 362 through 366 Processing helix chain 'u' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN u 453 " --> pdb=" O LYS u 449 " (cutoff:3.500A) Processing helix chain 'u' and resid 454 through 458 removed outlier: 3.914A pdb=" N LEU u 458 " --> pdb=" O LEU u 455 " (cutoff:3.500A) Processing helix chain 'v' and resid 262 through 276 Processing helix chain 'v' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE v 287 " --> pdb=" O SER v 283 " (cutoff:3.500A) Processing helix chain 'v' and resid 342 through 359 Processing helix chain 'v' and resid 362 through 366 Processing helix chain 'v' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN v 453 " --> pdb=" O LYS v 449 " (cutoff:3.500A) Processing helix chain 'v' and resid 454 through 458 removed outlier: 3.916A pdb=" N LEU v 458 " --> pdb=" O LEU v 455 " (cutoff:3.500A) Processing helix chain 'w' and resid 262 through 276 Processing helix chain 'w' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE w 287 " --> pdb=" O SER w 283 " (cutoff:3.500A) Processing helix chain 'w' and resid 342 through 359 Processing helix chain 'w' and resid 362 through 366 Processing helix chain 'w' and resid 436 through 453 removed outlier: 4.110A pdb=" N ASN w 453 " --> pdb=" O LYS w 449 " (cutoff:3.500A) Processing helix chain 'w' and resid 454 through 458 removed outlier: 3.915A pdb=" N LEU w 458 " --> pdb=" O LEU w 455 " (cutoff:3.500A) Processing helix chain 'x' and resid 262 through 276 Processing helix chain 'x' and resid 283 through 299 removed outlier: 3.697A pdb=" N PHE x 287 " --> pdb=" O SER x 283 " (cutoff:3.500A) Processing helix chain 'x' and resid 342 through 359 Processing helix chain 'x' and resid 362 through 366 Processing helix chain 'x' and resid 436 through 453 removed outlier: 4.111A pdb=" N ASN x 453 " --> pdb=" O LYS x 449 " (cutoff:3.500A) Processing helix chain 'x' and resid 454 through 458 removed outlier: 3.914A pdb=" N LEU x 458 " --> pdb=" O LEU x 455 " (cutoff:3.500A) Processing sheet with id= 1, first strand: chain 'A' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU A 419 " --> pdb=" O VAL A 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL A 425 " --> pdb=" O THR A 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR A 401 " --> pdb=" O VAL A 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR A 427 " --> pdb=" O VAL A 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL A 399 " --> pdb=" O THR A 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER A 429 " --> pdb=" O LEU A 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU A 397 " --> pdb=" O SER A 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER A 372 " --> pdb=" O LEU A 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL A 399 " --> pdb=" O SER A 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER A 374 " --> pdb=" O VAL A 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR A 401 " --> pdb=" O SER A 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP A 318 " --> pdb=" O ILE A 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE A 373 " --> pdb=" O ASP A 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER A 320 " --> pdb=" O ILE A 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN A 375 " --> pdb=" O SER A 320 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 304 through 306 Processing sheet with id= 3, first strand: chain 'A' and resid 323 through 325 Processing sheet with id= 4, first strand: chain 'B' and resid 255 through 261 removed outlier: 4.458A pdb=" N GLU B 419 " --> pdb=" O VAL B 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL B 425 " --> pdb=" O THR B 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR B 401 " --> pdb=" O VAL B 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR B 427 " --> pdb=" O VAL B 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL B 399 " --> pdb=" O THR B 427 " (cutoff:3.500A) removed outlier: 7.334A pdb=" N SER B 429 " --> pdb=" O LEU B 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU B 397 " --> pdb=" O SER B 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER B 372 " --> pdb=" O LEU B 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL B 399 " --> pdb=" O SER B 372 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N SER B 374 " --> pdb=" O VAL B 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR B 401 " --> pdb=" O SER B 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP B 318 " --> pdb=" O ILE B 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE B 373 " --> pdb=" O ASP B 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER B 320 " --> pdb=" O ILE B 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN B 375 " --> pdb=" O SER B 320 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'B' and resid 304 through 306 Processing sheet with id= 6, first strand: chain 'B' and resid 323 through 325 Processing sheet with id= 7, first strand: chain 'C' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU C 419 " --> pdb=" O VAL C 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL C 425 " --> pdb=" O THR C 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR C 401 " --> pdb=" O VAL C 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR C 427 " --> pdb=" O VAL C 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL C 399 " --> pdb=" O THR C 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER C 429 " --> pdb=" O LEU C 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU C 397 " --> pdb=" O SER C 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER C 372 " --> pdb=" O LEU C 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL C 399 " --> pdb=" O SER C 372 " (cutoff:3.500A) removed outlier: 6.859A pdb=" N SER C 374 " --> pdb=" O VAL C 399 " (cutoff:3.500A) removed outlier: 8.757A pdb=" N THR C 401 " --> pdb=" O SER C 374 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N ASP C 318 " --> pdb=" O ILE C 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE C 373 " --> pdb=" O ASP C 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER C 320 " --> pdb=" O ILE C 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN C 375 " --> pdb=" O SER C 320 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'C' and resid 304 through 306 Processing sheet with id= 9, first strand: chain 'C' and resid 323 through 325 Processing sheet with id= 10, first strand: chain 'D' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU D 419 " --> pdb=" O VAL D 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL D 425 " --> pdb=" O THR D 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR D 401 " --> pdb=" O VAL D 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR D 427 " --> pdb=" O VAL D 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL D 399 " --> pdb=" O THR D 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER D 429 " --> pdb=" O LEU D 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU D 397 " --> pdb=" O SER D 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER D 372 " --> pdb=" O LEU D 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL D 399 " --> pdb=" O SER D 372 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N SER D 374 " --> pdb=" O VAL D 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR D 401 " --> pdb=" O SER D 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP D 318 " --> pdb=" O ILE D 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE D 373 " --> pdb=" O ASP D 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER D 320 " --> pdb=" O ILE D 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN D 375 " --> pdb=" O SER D 320 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'D' and resid 304 through 306 Processing sheet with id= 12, first strand: chain 'D' and resid 323 through 325 Processing sheet with id= 13, first strand: chain 'E' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU E 419 " --> pdb=" O VAL E 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL E 425 " --> pdb=" O THR E 401 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N THR E 401 " --> pdb=" O VAL E 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR E 427 " --> pdb=" O VAL E 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL E 399 " --> pdb=" O THR E 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER E 429 " --> pdb=" O LEU E 397 " (cutoff:3.500A) removed outlier: 5.597A pdb=" N LEU E 397 " --> pdb=" O SER E 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER E 372 " --> pdb=" O LEU E 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL E 399 " --> pdb=" O SER E 372 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N SER E 374 " --> pdb=" O VAL E 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR E 401 " --> pdb=" O SER E 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP E 318 " --> pdb=" O ILE E 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE E 373 " --> pdb=" O ASP E 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER E 320 " --> pdb=" O ILE E 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN E 375 " --> pdb=" O SER E 320 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'E' and resid 304 through 306 Processing sheet with id= 15, first strand: chain 'E' and resid 323 through 325 Processing sheet with id= 16, first strand: chain 'F' and resid 255 through 261 removed outlier: 4.456A pdb=" N GLU F 419 " --> pdb=" O VAL F 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL F 425 " --> pdb=" O THR F 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR F 401 " --> pdb=" O VAL F 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR F 427 " --> pdb=" O VAL F 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL F 399 " --> pdb=" O THR F 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER F 429 " --> pdb=" O LEU F 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU F 397 " --> pdb=" O SER F 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER F 372 " --> pdb=" O LEU F 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL F 399 " --> pdb=" O SER F 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER F 374 " --> pdb=" O VAL F 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR F 401 " --> pdb=" O SER F 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP F 318 " --> pdb=" O ILE F 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE F 373 " --> pdb=" O ASP F 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER F 320 " --> pdb=" O ILE F 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN F 375 " --> pdb=" O SER F 320 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'F' and resid 304 through 306 Processing sheet with id= 18, first strand: chain 'F' and resid 323 through 325 Processing sheet with id= 19, first strand: chain 'G' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU G 419 " --> pdb=" O VAL G 407 " (cutoff:3.500A) removed outlier: 4.185A pdb=" N VAL G 425 " --> pdb=" O THR G 401 " (cutoff:3.500A) removed outlier: 5.272A pdb=" N THR G 401 " --> pdb=" O VAL G 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR G 427 " --> pdb=" O VAL G 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL G 399 " --> pdb=" O THR G 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER G 429 " --> pdb=" O LEU G 397 " (cutoff:3.500A) removed outlier: 5.597A pdb=" N LEU G 397 " --> pdb=" O SER G 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER G 372 " --> pdb=" O LEU G 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL G 399 " --> pdb=" O SER G 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER G 374 " --> pdb=" O VAL G 399 " (cutoff:3.500A) removed outlier: 8.757A pdb=" N THR G 401 " --> pdb=" O SER G 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP G 318 " --> pdb=" O ILE G 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE G 373 " --> pdb=" O ASP G 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER G 320 " --> pdb=" O ILE G 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN G 375 " --> pdb=" O SER G 320 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'G' and resid 304 through 306 Processing sheet with id= 21, first strand: chain 'G' and resid 323 through 325 Processing sheet with id= 22, first strand: chain 'H' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU H 419 " --> pdb=" O VAL H 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL H 425 " --> pdb=" O THR H 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR H 401 " --> pdb=" O VAL H 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR H 427 " --> pdb=" O VAL H 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL H 399 " --> pdb=" O THR H 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER H 429 " --> pdb=" O LEU H 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU H 397 " --> pdb=" O SER H 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER H 372 " --> pdb=" O LEU H 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL H 399 " --> pdb=" O SER H 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER H 374 " --> pdb=" O VAL H 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR H 401 " --> pdb=" O SER H 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP H 318 " --> pdb=" O ILE H 371 " (cutoff:3.500A) removed outlier: 8.128A pdb=" N ILE H 373 " --> pdb=" O ASP H 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER H 320 " --> pdb=" O ILE H 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN H 375 " --> pdb=" O SER H 320 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'H' and resid 304 through 306 Processing sheet with id= 24, first strand: chain 'H' and resid 323 through 325 Processing sheet with id= 25, first strand: chain 'I' and resid 255 through 261 removed outlier: 4.458A pdb=" N GLU I 419 " --> pdb=" O VAL I 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL I 425 " --> pdb=" O THR I 401 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N THR I 401 " --> pdb=" O VAL I 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR I 427 " --> pdb=" O VAL I 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL I 399 " --> pdb=" O THR I 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER I 429 " --> pdb=" O LEU I 397 " (cutoff:3.500A) removed outlier: 5.595A pdb=" N LEU I 397 " --> pdb=" O SER I 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER I 372 " --> pdb=" O LEU I 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL I 399 " --> pdb=" O SER I 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER I 374 " --> pdb=" O VAL I 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR I 401 " --> pdb=" O SER I 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP I 318 " --> pdb=" O ILE I 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE I 373 " --> pdb=" O ASP I 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER I 320 " --> pdb=" O ILE I 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN I 375 " --> pdb=" O SER I 320 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'I' and resid 304 through 306 Processing sheet with id= 27, first strand: chain 'I' and resid 323 through 325 Processing sheet with id= 28, first strand: chain 'J' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU J 419 " --> pdb=" O VAL J 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL J 425 " --> pdb=" O THR J 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR J 401 " --> pdb=" O VAL J 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR J 427 " --> pdb=" O VAL J 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL J 399 " --> pdb=" O THR J 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER J 429 " --> pdb=" O LEU J 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU J 397 " --> pdb=" O SER J 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER J 372 " --> pdb=" O LEU J 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL J 399 " --> pdb=" O SER J 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER J 374 " --> pdb=" O VAL J 399 " (cutoff:3.500A) removed outlier: 8.757A pdb=" N THR J 401 " --> pdb=" O SER J 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP J 318 " --> pdb=" O ILE J 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE J 373 " --> pdb=" O ASP J 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER J 320 " --> pdb=" O ILE J 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN J 375 " --> pdb=" O SER J 320 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'J' and resid 304 through 306 Processing sheet with id= 30, first strand: chain 'J' and resid 323 through 325 Processing sheet with id= 31, first strand: chain 'K' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU K 419 " --> pdb=" O VAL K 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL K 425 " --> pdb=" O THR K 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR K 401 " --> pdb=" O VAL K 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR K 427 " --> pdb=" O VAL K 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL K 399 " --> pdb=" O THR K 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER K 429 " --> pdb=" O LEU K 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU K 397 " --> pdb=" O SER K 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER K 372 " --> pdb=" O LEU K 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL K 399 " --> pdb=" O SER K 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER K 374 " --> pdb=" O VAL K 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR K 401 " --> pdb=" O SER K 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP K 318 " --> pdb=" O ILE K 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE K 373 " --> pdb=" O ASP K 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER K 320 " --> pdb=" O ILE K 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN K 375 " --> pdb=" O SER K 320 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'K' and resid 304 through 306 Processing sheet with id= 33, first strand: chain 'K' and resid 323 through 325 Processing sheet with id= 34, first strand: chain 'L' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU L 419 " --> pdb=" O VAL L 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL L 425 " --> pdb=" O THR L 401 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N THR L 401 " --> pdb=" O VAL L 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR L 427 " --> pdb=" O VAL L 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL L 399 " --> pdb=" O THR L 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER L 429 " --> pdb=" O LEU L 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU L 397 " --> pdb=" O SER L 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER L 372 " --> pdb=" O LEU L 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL L 399 " --> pdb=" O SER L 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER L 374 " --> pdb=" O VAL L 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR L 401 " --> pdb=" O SER L 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP L 318 " --> pdb=" O ILE L 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE L 373 " --> pdb=" O ASP L 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER L 320 " --> pdb=" O ILE L 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN L 375 " --> pdb=" O SER L 320 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'L' and resid 304 through 306 Processing sheet with id= 36, first strand: chain 'L' and resid 323 through 325 Processing sheet with id= 37, first strand: chain 'M' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU M 419 " --> pdb=" O VAL M 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL M 425 " --> pdb=" O THR M 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR M 401 " --> pdb=" O VAL M 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR M 427 " --> pdb=" O VAL M 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL M 399 " --> pdb=" O THR M 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER M 429 " --> pdb=" O LEU M 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU M 397 " --> pdb=" O SER M 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER M 372 " --> pdb=" O LEU M 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL M 399 " --> pdb=" O SER M 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER M 374 " --> pdb=" O VAL M 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR M 401 " --> pdb=" O SER M 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP M 318 " --> pdb=" O ILE M 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE M 373 " --> pdb=" O ASP M 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER M 320 " --> pdb=" O ILE M 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN M 375 " --> pdb=" O SER M 320 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'M' and resid 304 through 306 Processing sheet with id= 39, first strand: chain 'M' and resid 323 through 325 Processing sheet with id= 40, first strand: chain 'N' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU N 419 " --> pdb=" O VAL N 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL N 425 " --> pdb=" O THR N 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR N 401 " --> pdb=" O VAL N 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR N 427 " --> pdb=" O VAL N 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL N 399 " --> pdb=" O THR N 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER N 429 " --> pdb=" O LEU N 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU N 397 " --> pdb=" O SER N 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER N 372 " --> pdb=" O LEU N 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL N 399 " --> pdb=" O SER N 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER N 374 " --> pdb=" O VAL N 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR N 401 " --> pdb=" O SER N 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP N 318 " --> pdb=" O ILE N 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE N 373 " --> pdb=" O ASP N 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER N 320 " --> pdb=" O ILE N 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN N 375 " --> pdb=" O SER N 320 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'N' and resid 304 through 306 Processing sheet with id= 42, first strand: chain 'N' and resid 323 through 325 Processing sheet with id= 43, first strand: chain 'O' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU O 419 " --> pdb=" O VAL O 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL O 425 " --> pdb=" O THR O 401 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N THR O 401 " --> pdb=" O VAL O 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR O 427 " --> pdb=" O VAL O 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL O 399 " --> pdb=" O THR O 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER O 429 " --> pdb=" O LEU O 397 " (cutoff:3.500A) removed outlier: 5.595A pdb=" N LEU O 397 " --> pdb=" O SER O 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER O 372 " --> pdb=" O LEU O 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL O 399 " --> pdb=" O SER O 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER O 374 " --> pdb=" O VAL O 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR O 401 " --> pdb=" O SER O 374 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N ASP O 318 " --> pdb=" O ILE O 371 " (cutoff:3.500A) removed outlier: 8.126A pdb=" N ILE O 373 " --> pdb=" O ASP O 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER O 320 " --> pdb=" O ILE O 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN O 375 " --> pdb=" O SER O 320 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'O' and resid 304 through 306 Processing sheet with id= 45, first strand: chain 'O' and resid 323 through 325 Processing sheet with id= 46, first strand: chain 'P' and resid 255 through 261 removed outlier: 4.456A pdb=" N GLU P 419 " --> pdb=" O VAL P 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL P 425 " --> pdb=" O THR P 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR P 401 " --> pdb=" O VAL P 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR P 427 " --> pdb=" O VAL P 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL P 399 " --> pdb=" O THR P 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER P 429 " --> pdb=" O LEU P 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU P 397 " --> pdb=" O SER P 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER P 372 " --> pdb=" O LEU P 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL P 399 " --> pdb=" O SER P 372 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N SER P 374 " --> pdb=" O VAL P 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR P 401 " --> pdb=" O SER P 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP P 318 " --> pdb=" O ILE P 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE P 373 " --> pdb=" O ASP P 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER P 320 " --> pdb=" O ILE P 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN P 375 " --> pdb=" O SER P 320 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'P' and resid 304 through 306 Processing sheet with id= 48, first strand: chain 'P' and resid 323 through 325 Processing sheet with id= 49, first strand: chain 'Q' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU Q 419 " --> pdb=" O VAL Q 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL Q 425 " --> pdb=" O THR Q 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR Q 401 " --> pdb=" O VAL Q 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR Q 427 " --> pdb=" O VAL Q 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL Q 399 " --> pdb=" O THR Q 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER Q 429 " --> pdb=" O LEU Q 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU Q 397 " --> pdb=" O SER Q 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER Q 372 " --> pdb=" O LEU Q 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL Q 399 " --> pdb=" O SER Q 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER Q 374 " --> pdb=" O VAL Q 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR Q 401 " --> pdb=" O SER Q 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP Q 318 " --> pdb=" O ILE Q 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE Q 373 " --> pdb=" O ASP Q 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER Q 320 " --> pdb=" O ILE Q 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN Q 375 " --> pdb=" O SER Q 320 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'Q' and resid 304 through 306 Processing sheet with id= 51, first strand: chain 'Q' and resid 323 through 325 Processing sheet with id= 52, first strand: chain 'R' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU R 419 " --> pdb=" O VAL R 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL R 425 " --> pdb=" O THR R 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR R 401 " --> pdb=" O VAL R 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR R 427 " --> pdb=" O VAL R 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL R 399 " --> pdb=" O THR R 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER R 429 " --> pdb=" O LEU R 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU R 397 " --> pdb=" O SER R 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER R 372 " --> pdb=" O LEU R 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL R 399 " --> pdb=" O SER R 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER R 374 " --> pdb=" O VAL R 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR R 401 " --> pdb=" O SER R 374 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N ASP R 318 " --> pdb=" O ILE R 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE R 373 " --> pdb=" O ASP R 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER R 320 " --> pdb=" O ILE R 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN R 375 " --> pdb=" O SER R 320 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'R' and resid 304 through 306 Processing sheet with id= 54, first strand: chain 'R' and resid 323 through 325 Processing sheet with id= 55, first strand: chain 'S' and resid 255 through 261 removed outlier: 4.458A pdb=" N GLU S 419 " --> pdb=" O VAL S 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL S 425 " --> pdb=" O THR S 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR S 401 " --> pdb=" O VAL S 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR S 427 " --> pdb=" O VAL S 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL S 399 " --> pdb=" O THR S 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER S 429 " --> pdb=" O LEU S 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU S 397 " --> pdb=" O SER S 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER S 372 " --> pdb=" O LEU S 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL S 399 " --> pdb=" O SER S 372 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N SER S 374 " --> pdb=" O VAL S 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR S 401 " --> pdb=" O SER S 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP S 318 " --> pdb=" O ILE S 371 " (cutoff:3.500A) removed outlier: 8.128A pdb=" N ILE S 373 " --> pdb=" O ASP S 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER S 320 " --> pdb=" O ILE S 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN S 375 " --> pdb=" O SER S 320 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain 'S' and resid 304 through 306 Processing sheet with id= 57, first strand: chain 'S' and resid 323 through 325 Processing sheet with id= 58, first strand: chain 'T' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU T 419 " --> pdb=" O VAL T 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL T 425 " --> pdb=" O THR T 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR T 401 " --> pdb=" O VAL T 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR T 427 " --> pdb=" O VAL T 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL T 399 " --> pdb=" O THR T 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER T 429 " --> pdb=" O LEU T 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU T 397 " --> pdb=" O SER T 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER T 372 " --> pdb=" O LEU T 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL T 399 " --> pdb=" O SER T 372 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N SER T 374 " --> pdb=" O VAL T 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR T 401 " --> pdb=" O SER T 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP T 318 " --> pdb=" O ILE T 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE T 373 " --> pdb=" O ASP T 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER T 320 " --> pdb=" O ILE T 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN T 375 " --> pdb=" O SER T 320 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'T' and resid 304 through 306 Processing sheet with id= 60, first strand: chain 'T' and resid 323 through 325 Processing sheet with id= 61, first strand: chain 'U' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU U 419 " --> pdb=" O VAL U 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL U 425 " --> pdb=" O THR U 401 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N THR U 401 " --> pdb=" O VAL U 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR U 427 " --> pdb=" O VAL U 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL U 399 " --> pdb=" O THR U 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER U 429 " --> pdb=" O LEU U 397 " (cutoff:3.500A) removed outlier: 5.595A pdb=" N LEU U 397 " --> pdb=" O SER U 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER U 372 " --> pdb=" O LEU U 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL U 399 " --> pdb=" O SER U 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER U 374 " --> pdb=" O VAL U 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR U 401 " --> pdb=" O SER U 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP U 318 " --> pdb=" O ILE U 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE U 373 " --> pdb=" O ASP U 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER U 320 " --> pdb=" O ILE U 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN U 375 " --> pdb=" O SER U 320 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain 'U' and resid 304 through 306 Processing sheet with id= 63, first strand: chain 'U' and resid 323 through 325 Processing sheet with id= 64, first strand: chain 'V' and resid 255 through 261 removed outlier: 4.456A pdb=" N GLU V 419 " --> pdb=" O VAL V 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL V 425 " --> pdb=" O THR V 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR V 401 " --> pdb=" O VAL V 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR V 427 " --> pdb=" O VAL V 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL V 399 " --> pdb=" O THR V 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER V 429 " --> pdb=" O LEU V 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU V 397 " --> pdb=" O SER V 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER V 372 " --> pdb=" O LEU V 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL V 399 " --> pdb=" O SER V 372 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N SER V 374 " --> pdb=" O VAL V 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR V 401 " --> pdb=" O SER V 374 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N ASP V 318 " --> pdb=" O ILE V 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE V 373 " --> pdb=" O ASP V 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER V 320 " --> pdb=" O ILE V 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN V 375 " --> pdb=" O SER V 320 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain 'V' and resid 304 through 306 Processing sheet with id= 66, first strand: chain 'V' and resid 323 through 325 Processing sheet with id= 67, first strand: chain 'W' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU W 419 " --> pdb=" O VAL W 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL W 425 " --> pdb=" O THR W 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR W 401 " --> pdb=" O VAL W 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR W 427 " --> pdb=" O VAL W 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL W 399 " --> pdb=" O THR W 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER W 429 " --> pdb=" O LEU W 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU W 397 " --> pdb=" O SER W 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER W 372 " --> pdb=" O LEU W 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL W 399 " --> pdb=" O SER W 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER W 374 " --> pdb=" O VAL W 399 " (cutoff:3.500A) removed outlier: 8.757A pdb=" N THR W 401 " --> pdb=" O SER W 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP W 318 " --> pdb=" O ILE W 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE W 373 " --> pdb=" O ASP W 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER W 320 " --> pdb=" O ILE W 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN W 375 " --> pdb=" O SER W 320 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'W' and resid 304 through 306 Processing sheet with id= 69, first strand: chain 'W' and resid 323 through 325 Processing sheet with id= 70, first strand: chain 'X' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU X 419 " --> pdb=" O VAL X 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL X 425 " --> pdb=" O THR X 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR X 401 " --> pdb=" O VAL X 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR X 427 " --> pdb=" O VAL X 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL X 399 " --> pdb=" O THR X 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER X 429 " --> pdb=" O LEU X 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU X 397 " --> pdb=" O SER X 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER X 372 " --> pdb=" O LEU X 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL X 399 " --> pdb=" O SER X 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER X 374 " --> pdb=" O VAL X 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR X 401 " --> pdb=" O SER X 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP X 318 " --> pdb=" O ILE X 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE X 373 " --> pdb=" O ASP X 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER X 320 " --> pdb=" O ILE X 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN X 375 " --> pdb=" O SER X 320 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain 'X' and resid 304 through 306 Processing sheet with id= 72, first strand: chain 'X' and resid 323 through 325 Processing sheet with id= 73, first strand: chain 'Y' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU Y 419 " --> pdb=" O VAL Y 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL Y 425 " --> pdb=" O THR Y 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR Y 401 " --> pdb=" O VAL Y 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR Y 427 " --> pdb=" O VAL Y 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL Y 399 " --> pdb=" O THR Y 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER Y 429 " --> pdb=" O LEU Y 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU Y 397 " --> pdb=" O SER Y 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER Y 372 " --> pdb=" O LEU Y 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL Y 399 " --> pdb=" O SER Y 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER Y 374 " --> pdb=" O VAL Y 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR Y 401 " --> pdb=" O SER Y 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP Y 318 " --> pdb=" O ILE Y 371 " (cutoff:3.500A) removed outlier: 8.126A pdb=" N ILE Y 373 " --> pdb=" O ASP Y 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER Y 320 " --> pdb=" O ILE Y 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN Y 375 " --> pdb=" O SER Y 320 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'Y' and resid 304 through 306 Processing sheet with id= 75, first strand: chain 'Y' and resid 323 through 325 Processing sheet with id= 76, first strand: chain 'Z' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU Z 419 " --> pdb=" O VAL Z 407 " (cutoff:3.500A) removed outlier: 4.187A pdb=" N VAL Z 425 " --> pdb=" O THR Z 401 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N THR Z 401 " --> pdb=" O VAL Z 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR Z 427 " --> pdb=" O VAL Z 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL Z 399 " --> pdb=" O THR Z 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER Z 429 " --> pdb=" O LEU Z 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU Z 397 " --> pdb=" O SER Z 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER Z 372 " --> pdb=" O LEU Z 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL Z 399 " --> pdb=" O SER Z 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER Z 374 " --> pdb=" O VAL Z 399 " (cutoff:3.500A) removed outlier: 8.757A pdb=" N THR Z 401 " --> pdb=" O SER Z 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP Z 318 " --> pdb=" O ILE Z 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE Z 373 " --> pdb=" O ASP Z 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER Z 320 " --> pdb=" O ILE Z 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN Z 375 " --> pdb=" O SER Z 320 " (cutoff:3.500A) Processing sheet with id= 77, first strand: chain 'Z' and resid 304 through 306 Processing sheet with id= 78, first strand: chain 'Z' and resid 323 through 325 Processing sheet with id= 79, first strand: chain '0' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU 0 419 " --> pdb=" O VAL 0 407 " (cutoff:3.500A) removed outlier: 4.187A pdb=" N VAL 0 425 " --> pdb=" O THR 0 401 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N THR 0 401 " --> pdb=" O VAL 0 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR 0 427 " --> pdb=" O VAL 0 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL 0 399 " --> pdb=" O THR 0 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER 0 429 " --> pdb=" O LEU 0 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU 0 397 " --> pdb=" O SER 0 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER 0 372 " --> pdb=" O LEU 0 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL 0 399 " --> pdb=" O SER 0 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER 0 374 " --> pdb=" O VAL 0 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR 0 401 " --> pdb=" O SER 0 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP 0 318 " --> pdb=" O ILE 0 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE 0 373 " --> pdb=" O ASP 0 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER 0 320 " --> pdb=" O ILE 0 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN 0 375 " --> pdb=" O SER 0 320 " (cutoff:3.500A) Processing sheet with id= 80, first strand: chain '0' and resid 304 through 306 Processing sheet with id= 81, first strand: chain '0' and resid 323 through 325 Processing sheet with id= 82, first strand: chain '1' and resid 255 through 261 removed outlier: 4.458A pdb=" N GLU 1 419 " --> pdb=" O VAL 1 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL 1 425 " --> pdb=" O THR 1 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR 1 401 " --> pdb=" O VAL 1 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR 1 427 " --> pdb=" O VAL 1 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL 1 399 " --> pdb=" O THR 1 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER 1 429 " --> pdb=" O LEU 1 397 " (cutoff:3.500A) removed outlier: 5.595A pdb=" N LEU 1 397 " --> pdb=" O SER 1 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER 1 372 " --> pdb=" O LEU 1 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL 1 399 " --> pdb=" O SER 1 372 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N SER 1 374 " --> pdb=" O VAL 1 399 " (cutoff:3.500A) removed outlier: 8.759A pdb=" N THR 1 401 " --> pdb=" O SER 1 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP 1 318 " --> pdb=" O ILE 1 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE 1 373 " --> pdb=" O ASP 1 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER 1 320 " --> pdb=" O ILE 1 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN 1 375 " --> pdb=" O SER 1 320 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain '1' and resid 304 through 306 Processing sheet with id= 84, first strand: chain '1' and resid 323 through 325 Processing sheet with id= 85, first strand: chain '2' and resid 255 through 261 removed outlier: 4.456A pdb=" N GLU 2 419 " --> pdb=" O VAL 2 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL 2 425 " --> pdb=" O THR 2 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR 2 401 " --> pdb=" O VAL 2 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR 2 427 " --> pdb=" O VAL 2 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL 2 399 " --> pdb=" O THR 2 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER 2 429 " --> pdb=" O LEU 2 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU 2 397 " --> pdb=" O SER 2 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER 2 372 " --> pdb=" O LEU 2 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL 2 399 " --> pdb=" O SER 2 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER 2 374 " --> pdb=" O VAL 2 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR 2 401 " --> pdb=" O SER 2 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP 2 318 " --> pdb=" O ILE 2 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE 2 373 " --> pdb=" O ASP 2 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER 2 320 " --> pdb=" O ILE 2 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN 2 375 " --> pdb=" O SER 2 320 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain '2' and resid 304 through 306 Processing sheet with id= 87, first strand: chain '2' and resid 323 through 325 Processing sheet with id= 88, first strand: chain '3' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU 3 419 " --> pdb=" O VAL 3 407 " (cutoff:3.500A) removed outlier: 4.185A pdb=" N VAL 3 425 " --> pdb=" O THR 3 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR 3 401 " --> pdb=" O VAL 3 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR 3 427 " --> pdb=" O VAL 3 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL 3 399 " --> pdb=" O THR 3 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER 3 429 " --> pdb=" O LEU 3 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU 3 397 " --> pdb=" O SER 3 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER 3 372 " --> pdb=" O LEU 3 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL 3 399 " --> pdb=" O SER 3 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER 3 374 " --> pdb=" O VAL 3 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR 3 401 " --> pdb=" O SER 3 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP 3 318 " --> pdb=" O ILE 3 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE 3 373 " --> pdb=" O ASP 3 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER 3 320 " --> pdb=" O ILE 3 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN 3 375 " --> pdb=" O SER 3 320 " (cutoff:3.500A) Processing sheet with id= 89, first strand: chain '3' and resid 304 through 306 Processing sheet with id= 90, first strand: chain '3' and resid 323 through 325 Processing sheet with id= 91, first strand: chain '4' and resid 255 through 261 removed outlier: 4.458A pdb=" N GLU 4 419 " --> pdb=" O VAL 4 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL 4 425 " --> pdb=" O THR 4 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR 4 401 " --> pdb=" O VAL 4 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR 4 427 " --> pdb=" O VAL 4 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL 4 399 " --> pdb=" O THR 4 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER 4 429 " --> pdb=" O LEU 4 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU 4 397 " --> pdb=" O SER 4 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER 4 372 " --> pdb=" O LEU 4 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL 4 399 " --> pdb=" O SER 4 372 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N SER 4 374 " --> pdb=" O VAL 4 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR 4 401 " --> pdb=" O SER 4 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP 4 318 " --> pdb=" O ILE 4 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE 4 373 " --> pdb=" O ASP 4 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER 4 320 " --> pdb=" O ILE 4 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN 4 375 " --> pdb=" O SER 4 320 " (cutoff:3.500A) Processing sheet with id= 92, first strand: chain '4' and resid 304 through 306 Processing sheet with id= 93, first strand: chain '4' and resid 323 through 325 Processing sheet with id= 94, first strand: chain '5' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU 5 419 " --> pdb=" O VAL 5 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL 5 425 " --> pdb=" O THR 5 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR 5 401 " --> pdb=" O VAL 5 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR 5 427 " --> pdb=" O VAL 5 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL 5 399 " --> pdb=" O THR 5 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER 5 429 " --> pdb=" O LEU 5 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU 5 397 " --> pdb=" O SER 5 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER 5 372 " --> pdb=" O LEU 5 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL 5 399 " --> pdb=" O SER 5 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER 5 374 " --> pdb=" O VAL 5 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR 5 401 " --> pdb=" O SER 5 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP 5 318 " --> pdb=" O ILE 5 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE 5 373 " --> pdb=" O ASP 5 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER 5 320 " --> pdb=" O ILE 5 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN 5 375 " --> pdb=" O SER 5 320 " (cutoff:3.500A) Processing sheet with id= 95, first strand: chain '5' and resid 304 through 306 Processing sheet with id= 96, first strand: chain '5' and resid 323 through 325 Processing sheet with id= 97, first strand: chain '6' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU 6 419 " --> pdb=" O VAL 6 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL 6 425 " --> pdb=" O THR 6 401 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N THR 6 401 " --> pdb=" O VAL 6 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR 6 427 " --> pdb=" O VAL 6 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL 6 399 " --> pdb=" O THR 6 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER 6 429 " --> pdb=" O LEU 6 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU 6 397 " --> pdb=" O SER 6 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER 6 372 " --> pdb=" O LEU 6 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL 6 399 " --> pdb=" O SER 6 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER 6 374 " --> pdb=" O VAL 6 399 " (cutoff:3.500A) removed outlier: 8.757A pdb=" N THR 6 401 " --> pdb=" O SER 6 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP 6 318 " --> pdb=" O ILE 6 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE 6 373 " --> pdb=" O ASP 6 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER 6 320 " --> pdb=" O ILE 6 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN 6 375 " --> pdb=" O SER 6 320 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain '6' and resid 304 through 306 Processing sheet with id= 99, first strand: chain '6' and resid 323 through 325 Processing sheet with id=100, first strand: chain '7' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU 7 419 " --> pdb=" O VAL 7 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL 7 425 " --> pdb=" O THR 7 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR 7 401 " --> pdb=" O VAL 7 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR 7 427 " --> pdb=" O VAL 7 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL 7 399 " --> pdb=" O THR 7 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER 7 429 " --> pdb=" O LEU 7 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU 7 397 " --> pdb=" O SER 7 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER 7 372 " --> pdb=" O LEU 7 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL 7 399 " --> pdb=" O SER 7 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER 7 374 " --> pdb=" O VAL 7 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR 7 401 " --> pdb=" O SER 7 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP 7 318 " --> pdb=" O ILE 7 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE 7 373 " --> pdb=" O ASP 7 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER 7 320 " --> pdb=" O ILE 7 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN 7 375 " --> pdb=" O SER 7 320 " (cutoff:3.500A) Processing sheet with id=101, first strand: chain '7' and resid 304 through 306 Processing sheet with id=102, first strand: chain '7' and resid 323 through 325 Processing sheet with id=103, first strand: chain '8' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU 8 419 " --> pdb=" O VAL 8 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL 8 425 " --> pdb=" O THR 8 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR 8 401 " --> pdb=" O VAL 8 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR 8 427 " --> pdb=" O VAL 8 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL 8 399 " --> pdb=" O THR 8 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER 8 429 " --> pdb=" O LEU 8 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU 8 397 " --> pdb=" O SER 8 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER 8 372 " --> pdb=" O LEU 8 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL 8 399 " --> pdb=" O SER 8 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER 8 374 " --> pdb=" O VAL 8 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR 8 401 " --> pdb=" O SER 8 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP 8 318 " --> pdb=" O ILE 8 371 " (cutoff:3.500A) removed outlier: 8.126A pdb=" N ILE 8 373 " --> pdb=" O ASP 8 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER 8 320 " --> pdb=" O ILE 8 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN 8 375 " --> pdb=" O SER 8 320 " (cutoff:3.500A) Processing sheet with id=104, first strand: chain '8' and resid 304 through 306 Processing sheet with id=105, first strand: chain '8' and resid 323 through 325 Processing sheet with id=106, first strand: chain '9' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU 9 419 " --> pdb=" O VAL 9 407 " (cutoff:3.500A) removed outlier: 4.187A pdb=" N VAL 9 425 " --> pdb=" O THR 9 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR 9 401 " --> pdb=" O VAL 9 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR 9 427 " --> pdb=" O VAL 9 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL 9 399 " --> pdb=" O THR 9 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER 9 429 " --> pdb=" O LEU 9 397 " (cutoff:3.500A) removed outlier: 5.595A pdb=" N LEU 9 397 " --> pdb=" O SER 9 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER 9 372 " --> pdb=" O LEU 9 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL 9 399 " --> pdb=" O SER 9 372 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N SER 9 374 " --> pdb=" O VAL 9 399 " (cutoff:3.500A) removed outlier: 8.757A pdb=" N THR 9 401 " --> pdb=" O SER 9 374 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N ASP 9 318 " --> pdb=" O ILE 9 371 " (cutoff:3.500A) removed outlier: 8.128A pdb=" N ILE 9 373 " --> pdb=" O ASP 9 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER 9 320 " --> pdb=" O ILE 9 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN 9 375 " --> pdb=" O SER 9 320 " (cutoff:3.500A) Processing sheet with id=107, first strand: chain '9' and resid 304 through 306 Processing sheet with id=108, first strand: chain '9' and resid 323 through 325 Processing sheet with id=109, first strand: chain 'a' and resid 255 through 261 removed outlier: 4.458A pdb=" N GLU a 419 " --> pdb=" O VAL a 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL a 425 " --> pdb=" O THR a 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR a 401 " --> pdb=" O VAL a 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR a 427 " --> pdb=" O VAL a 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL a 399 " --> pdb=" O THR a 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER a 429 " --> pdb=" O LEU a 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU a 397 " --> pdb=" O SER a 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER a 372 " --> pdb=" O LEU a 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL a 399 " --> pdb=" O SER a 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER a 374 " --> pdb=" O VAL a 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR a 401 " --> pdb=" O SER a 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP a 318 " --> pdb=" O ILE a 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE a 373 " --> pdb=" O ASP a 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER a 320 " --> pdb=" O ILE a 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN a 375 " --> pdb=" O SER a 320 " (cutoff:3.500A) Processing sheet with id=110, first strand: chain 'a' and resid 304 through 306 Processing sheet with id=111, first strand: chain 'a' and resid 323 through 325 Processing sheet with id=112, first strand: chain 'b' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU b 419 " --> pdb=" O VAL b 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL b 425 " --> pdb=" O THR b 401 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N THR b 401 " --> pdb=" O VAL b 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR b 427 " --> pdb=" O VAL b 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL b 399 " --> pdb=" O THR b 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER b 429 " --> pdb=" O LEU b 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU b 397 " --> pdb=" O SER b 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER b 372 " --> pdb=" O LEU b 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL b 399 " --> pdb=" O SER b 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER b 374 " --> pdb=" O VAL b 399 " (cutoff:3.500A) removed outlier: 8.757A pdb=" N THR b 401 " --> pdb=" O SER b 374 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N ASP b 318 " --> pdb=" O ILE b 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE b 373 " --> pdb=" O ASP b 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER b 320 " --> pdb=" O ILE b 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN b 375 " --> pdb=" O SER b 320 " (cutoff:3.500A) Processing sheet with id=113, first strand: chain 'b' and resid 304 through 306 Processing sheet with id=114, first strand: chain 'b' and resid 323 through 325 Processing sheet with id=115, first strand: chain 'c' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU c 419 " --> pdb=" O VAL c 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL c 425 " --> pdb=" O THR c 401 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N THR c 401 " --> pdb=" O VAL c 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR c 427 " --> pdb=" O VAL c 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL c 399 " --> pdb=" O THR c 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER c 429 " --> pdb=" O LEU c 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU c 397 " --> pdb=" O SER c 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER c 372 " --> pdb=" O LEU c 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL c 399 " --> pdb=" O SER c 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER c 374 " --> pdb=" O VAL c 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR c 401 " --> pdb=" O SER c 374 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N ASP c 318 " --> pdb=" O ILE c 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE c 373 " --> pdb=" O ASP c 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER c 320 " --> pdb=" O ILE c 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN c 375 " --> pdb=" O SER c 320 " (cutoff:3.500A) Processing sheet with id=116, first strand: chain 'c' and resid 304 through 306 Processing sheet with id=117, first strand: chain 'c' and resid 323 through 325 Processing sheet with id=118, first strand: chain 'd' and resid 255 through 261 removed outlier: 4.458A pdb=" N GLU d 419 " --> pdb=" O VAL d 407 " (cutoff:3.500A) removed outlier: 4.185A pdb=" N VAL d 425 " --> pdb=" O THR d 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR d 401 " --> pdb=" O VAL d 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR d 427 " --> pdb=" O VAL d 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL d 399 " --> pdb=" O THR d 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER d 429 " --> pdb=" O LEU d 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU d 397 " --> pdb=" O SER d 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER d 372 " --> pdb=" O LEU d 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL d 399 " --> pdb=" O SER d 372 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N SER d 374 " --> pdb=" O VAL d 399 " (cutoff:3.500A) removed outlier: 8.757A pdb=" N THR d 401 " --> pdb=" O SER d 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP d 318 " --> pdb=" O ILE d 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE d 373 " --> pdb=" O ASP d 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER d 320 " --> pdb=" O ILE d 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN d 375 " --> pdb=" O SER d 320 " (cutoff:3.500A) Processing sheet with id=119, first strand: chain 'd' and resid 304 through 306 Processing sheet with id=120, first strand: chain 'd' and resid 323 through 325 Processing sheet with id=121, first strand: chain 'e' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU e 419 " --> pdb=" O VAL e 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL e 425 " --> pdb=" O THR e 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR e 401 " --> pdb=" O VAL e 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR e 427 " --> pdb=" O VAL e 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL e 399 " --> pdb=" O THR e 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER e 429 " --> pdb=" O LEU e 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU e 397 " --> pdb=" O SER e 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER e 372 " --> pdb=" O LEU e 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL e 399 " --> pdb=" O SER e 372 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N SER e 374 " --> pdb=" O VAL e 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR e 401 " --> pdb=" O SER e 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP e 318 " --> pdb=" O ILE e 371 " (cutoff:3.500A) removed outlier: 8.126A pdb=" N ILE e 373 " --> pdb=" O ASP e 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER e 320 " --> pdb=" O ILE e 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN e 375 " --> pdb=" O SER e 320 " (cutoff:3.500A) Processing sheet with id=122, first strand: chain 'e' and resid 304 through 306 Processing sheet with id=123, first strand: chain 'e' and resid 323 through 325 Processing sheet with id=124, first strand: chain 'f' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU f 419 " --> pdb=" O VAL f 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL f 425 " --> pdb=" O THR f 401 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N THR f 401 " --> pdb=" O VAL f 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR f 427 " --> pdb=" O VAL f 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL f 399 " --> pdb=" O THR f 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER f 429 " --> pdb=" O LEU f 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU f 397 " --> pdb=" O SER f 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER f 372 " --> pdb=" O LEU f 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL f 399 " --> pdb=" O SER f 372 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N SER f 374 " --> pdb=" O VAL f 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR f 401 " --> pdb=" O SER f 374 " (cutoff:3.500A) removed outlier: 7.007A pdb=" N ASP f 318 " --> pdb=" O ILE f 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE f 373 " --> pdb=" O ASP f 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER f 320 " --> pdb=" O ILE f 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN f 375 " --> pdb=" O SER f 320 " (cutoff:3.500A) Processing sheet with id=125, first strand: chain 'f' and resid 304 through 306 Processing sheet with id=126, first strand: chain 'f' and resid 323 through 325 Processing sheet with id=127, first strand: chain 'g' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU g 419 " --> pdb=" O VAL g 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL g 425 " --> pdb=" O THR g 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR g 401 " --> pdb=" O VAL g 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR g 427 " --> pdb=" O VAL g 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL g 399 " --> pdb=" O THR g 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER g 429 " --> pdb=" O LEU g 397 " (cutoff:3.500A) removed outlier: 5.595A pdb=" N LEU g 397 " --> pdb=" O SER g 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER g 372 " --> pdb=" O LEU g 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL g 399 " --> pdb=" O SER g 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER g 374 " --> pdb=" O VAL g 399 " (cutoff:3.500A) removed outlier: 8.757A pdb=" N THR g 401 " --> pdb=" O SER g 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP g 318 " --> pdb=" O ILE g 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE g 373 " --> pdb=" O ASP g 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER g 320 " --> pdb=" O ILE g 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN g 375 " --> pdb=" O SER g 320 " (cutoff:3.500A) Processing sheet with id=128, first strand: chain 'g' and resid 304 through 306 Processing sheet with id=129, first strand: chain 'g' and resid 323 through 325 Processing sheet with id=130, first strand: chain 'h' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU h 419 " --> pdb=" O VAL h 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL h 425 " --> pdb=" O THR h 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR h 401 " --> pdb=" O VAL h 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR h 427 " --> pdb=" O VAL h 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL h 399 " --> pdb=" O THR h 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER h 429 " --> pdb=" O LEU h 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU h 397 " --> pdb=" O SER h 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER h 372 " --> pdb=" O LEU h 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL h 399 " --> pdb=" O SER h 372 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N SER h 374 " --> pdb=" O VAL h 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR h 401 " --> pdb=" O SER h 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP h 318 " --> pdb=" O ILE h 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE h 373 " --> pdb=" O ASP h 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER h 320 " --> pdb=" O ILE h 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN h 375 " --> pdb=" O SER h 320 " (cutoff:3.500A) Processing sheet with id=131, first strand: chain 'h' and resid 304 through 306 Processing sheet with id=132, first strand: chain 'h' and resid 323 through 325 Processing sheet with id=133, first strand: chain 'i' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU i 419 " --> pdb=" O VAL i 407 " (cutoff:3.500A) removed outlier: 4.187A pdb=" N VAL i 425 " --> pdb=" O THR i 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR i 401 " --> pdb=" O VAL i 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR i 427 " --> pdb=" O VAL i 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL i 399 " --> pdb=" O THR i 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER i 429 " --> pdb=" O LEU i 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU i 397 " --> pdb=" O SER i 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER i 372 " --> pdb=" O LEU i 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL i 399 " --> pdb=" O SER i 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER i 374 " --> pdb=" O VAL i 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR i 401 " --> pdb=" O SER i 374 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N ASP i 318 " --> pdb=" O ILE i 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE i 373 " --> pdb=" O ASP i 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER i 320 " --> pdb=" O ILE i 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN i 375 " --> pdb=" O SER i 320 " (cutoff:3.500A) Processing sheet with id=134, first strand: chain 'i' and resid 304 through 306 Processing sheet with id=135, first strand: chain 'i' and resid 323 through 325 Processing sheet with id=136, first strand: chain 'j' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU j 419 " --> pdb=" O VAL j 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL j 425 " --> pdb=" O THR j 401 " (cutoff:3.500A) removed outlier: 5.272A pdb=" N THR j 401 " --> pdb=" O VAL j 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR j 427 " --> pdb=" O VAL j 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL j 399 " --> pdb=" O THR j 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER j 429 " --> pdb=" O LEU j 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU j 397 " --> pdb=" O SER j 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER j 372 " --> pdb=" O LEU j 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL j 399 " --> pdb=" O SER j 372 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N SER j 374 " --> pdb=" O VAL j 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR j 401 " --> pdb=" O SER j 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP j 318 " --> pdb=" O ILE j 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE j 373 " --> pdb=" O ASP j 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER j 320 " --> pdb=" O ILE j 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN j 375 " --> pdb=" O SER j 320 " (cutoff:3.500A) Processing sheet with id=137, first strand: chain 'j' and resid 304 through 306 Processing sheet with id=138, first strand: chain 'j' and resid 323 through 325 Processing sheet with id=139, first strand: chain 'k' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU k 419 " --> pdb=" O VAL k 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL k 425 " --> pdb=" O THR k 401 " (cutoff:3.500A) removed outlier: 5.272A pdb=" N THR k 401 " --> pdb=" O VAL k 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR k 427 " --> pdb=" O VAL k 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL k 399 " --> pdb=" O THR k 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER k 429 " --> pdb=" O LEU k 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU k 397 " --> pdb=" O SER k 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER k 372 " --> pdb=" O LEU k 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL k 399 " --> pdb=" O SER k 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER k 374 " --> pdb=" O VAL k 399 " (cutoff:3.500A) removed outlier: 8.757A pdb=" N THR k 401 " --> pdb=" O SER k 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP k 318 " --> pdb=" O ILE k 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE k 373 " --> pdb=" O ASP k 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER k 320 " --> pdb=" O ILE k 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN k 375 " --> pdb=" O SER k 320 " (cutoff:3.500A) Processing sheet with id=140, first strand: chain 'k' and resid 304 through 306 Processing sheet with id=141, first strand: chain 'k' and resid 323 through 325 Processing sheet with id=142, first strand: chain 'l' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU l 419 " --> pdb=" O VAL l 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL l 425 " --> pdb=" O THR l 401 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N THR l 401 " --> pdb=" O VAL l 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR l 427 " --> pdb=" O VAL l 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL l 399 " --> pdb=" O THR l 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER l 429 " --> pdb=" O LEU l 397 " (cutoff:3.500A) removed outlier: 5.597A pdb=" N LEU l 397 " --> pdb=" O SER l 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER l 372 " --> pdb=" O LEU l 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL l 399 " --> pdb=" O SER l 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER l 374 " --> pdb=" O VAL l 399 " (cutoff:3.500A) removed outlier: 8.757A pdb=" N THR l 401 " --> pdb=" O SER l 374 " (cutoff:3.500A) removed outlier: 7.007A pdb=" N ASP l 318 " --> pdb=" O ILE l 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE l 373 " --> pdb=" O ASP l 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER l 320 " --> pdb=" O ILE l 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN l 375 " --> pdb=" O SER l 320 " (cutoff:3.500A) Processing sheet with id=143, first strand: chain 'l' and resid 304 through 306 Processing sheet with id=144, first strand: chain 'l' and resid 323 through 325 Processing sheet with id=145, first strand: chain 'm' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU m 419 " --> pdb=" O VAL m 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL m 425 " --> pdb=" O THR m 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR m 401 " --> pdb=" O VAL m 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR m 427 " --> pdb=" O VAL m 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL m 399 " --> pdb=" O THR m 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER m 429 " --> pdb=" O LEU m 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU m 397 " --> pdb=" O SER m 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER m 372 " --> pdb=" O LEU m 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL m 399 " --> pdb=" O SER m 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER m 374 " --> pdb=" O VAL m 399 " (cutoff:3.500A) removed outlier: 8.757A pdb=" N THR m 401 " --> pdb=" O SER m 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP m 318 " --> pdb=" O ILE m 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE m 373 " --> pdb=" O ASP m 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER m 320 " --> pdb=" O ILE m 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN m 375 " --> pdb=" O SER m 320 " (cutoff:3.500A) Processing sheet with id=146, first strand: chain 'm' and resid 304 through 306 Processing sheet with id=147, first strand: chain 'm' and resid 323 through 325 Processing sheet with id=148, first strand: chain 'n' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU n 419 " --> pdb=" O VAL n 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL n 425 " --> pdb=" O THR n 401 " (cutoff:3.500A) removed outlier: 5.272A pdb=" N THR n 401 " --> pdb=" O VAL n 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR n 427 " --> pdb=" O VAL n 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL n 399 " --> pdb=" O THR n 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER n 429 " --> pdb=" O LEU n 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU n 397 " --> pdb=" O SER n 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER n 372 " --> pdb=" O LEU n 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL n 399 " --> pdb=" O SER n 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER n 374 " --> pdb=" O VAL n 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR n 401 " --> pdb=" O SER n 374 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N ASP n 318 " --> pdb=" O ILE n 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE n 373 " --> pdb=" O ASP n 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER n 320 " --> pdb=" O ILE n 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN n 375 " --> pdb=" O SER n 320 " (cutoff:3.500A) Processing sheet with id=149, first strand: chain 'n' and resid 304 through 306 Processing sheet with id=150, first strand: chain 'n' and resid 323 through 325 Processing sheet with id=151, first strand: chain 'o' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU o 419 " --> pdb=" O VAL o 407 " (cutoff:3.500A) removed outlier: 4.187A pdb=" N VAL o 425 " --> pdb=" O THR o 401 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N THR o 401 " --> pdb=" O VAL o 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR o 427 " --> pdb=" O VAL o 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL o 399 " --> pdb=" O THR o 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER o 429 " --> pdb=" O LEU o 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU o 397 " --> pdb=" O SER o 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER o 372 " --> pdb=" O LEU o 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL o 399 " --> pdb=" O SER o 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER o 374 " --> pdb=" O VAL o 399 " (cutoff:3.500A) removed outlier: 8.759A pdb=" N THR o 401 " --> pdb=" O SER o 374 " (cutoff:3.500A) removed outlier: 7.005A pdb=" N ASP o 318 " --> pdb=" O ILE o 371 " (cutoff:3.500A) removed outlier: 8.128A pdb=" N ILE o 373 " --> pdb=" O ASP o 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER o 320 " --> pdb=" O ILE o 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN o 375 " --> pdb=" O SER o 320 " (cutoff:3.500A) Processing sheet with id=152, first strand: chain 'o' and resid 304 through 306 Processing sheet with id=153, first strand: chain 'o' and resid 323 through 325 Processing sheet with id=154, first strand: chain 'p' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU p 419 " --> pdb=" O VAL p 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL p 425 " --> pdb=" O THR p 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR p 401 " --> pdb=" O VAL p 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR p 427 " --> pdb=" O VAL p 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL p 399 " --> pdb=" O THR p 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER p 429 " --> pdb=" O LEU p 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU p 397 " --> pdb=" O SER p 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER p 372 " --> pdb=" O LEU p 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL p 399 " --> pdb=" O SER p 372 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N SER p 374 " --> pdb=" O VAL p 399 " (cutoff:3.500A) removed outlier: 8.757A pdb=" N THR p 401 " --> pdb=" O SER p 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP p 318 " --> pdb=" O ILE p 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE p 373 " --> pdb=" O ASP p 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER p 320 " --> pdb=" O ILE p 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN p 375 " --> pdb=" O SER p 320 " (cutoff:3.500A) Processing sheet with id=155, first strand: chain 'p' and resid 304 through 306 Processing sheet with id=156, first strand: chain 'p' and resid 323 through 325 Processing sheet with id=157, first strand: chain 'q' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU q 419 " --> pdb=" O VAL q 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL q 425 " --> pdb=" O THR q 401 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N THR q 401 " --> pdb=" O VAL q 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR q 427 " --> pdb=" O VAL q 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL q 399 " --> pdb=" O THR q 427 " (cutoff:3.500A) removed outlier: 7.332A pdb=" N SER q 429 " --> pdb=" O LEU q 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU q 397 " --> pdb=" O SER q 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER q 372 " --> pdb=" O LEU q 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL q 399 " --> pdb=" O SER q 372 " (cutoff:3.500A) removed outlier: 6.857A pdb=" N SER q 374 " --> pdb=" O VAL q 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR q 401 " --> pdb=" O SER q 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP q 318 " --> pdb=" O ILE q 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE q 373 " --> pdb=" O ASP q 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER q 320 " --> pdb=" O ILE q 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN q 375 " --> pdb=" O SER q 320 " (cutoff:3.500A) Processing sheet with id=158, first strand: chain 'q' and resid 304 through 306 Processing sheet with id=159, first strand: chain 'q' and resid 323 through 325 Processing sheet with id=160, first strand: chain 'r' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU r 419 " --> pdb=" O VAL r 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL r 425 " --> pdb=" O THR r 401 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N THR r 401 " --> pdb=" O VAL r 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR r 427 " --> pdb=" O VAL r 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL r 399 " --> pdb=" O THR r 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER r 429 " --> pdb=" O LEU r 397 " (cutoff:3.500A) removed outlier: 5.597A pdb=" N LEU r 397 " --> pdb=" O SER r 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER r 372 " --> pdb=" O LEU r 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL r 399 " --> pdb=" O SER r 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER r 374 " --> pdb=" O VAL r 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR r 401 " --> pdb=" O SER r 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP r 318 " --> pdb=" O ILE r 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE r 373 " --> pdb=" O ASP r 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER r 320 " --> pdb=" O ILE r 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN r 375 " --> pdb=" O SER r 320 " (cutoff:3.500A) Processing sheet with id=161, first strand: chain 'r' and resid 304 through 306 Processing sheet with id=162, first strand: chain 'r' and resid 323 through 325 Processing sheet with id=163, first strand: chain 's' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU s 419 " --> pdb=" O VAL s 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL s 425 " --> pdb=" O THR s 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR s 401 " --> pdb=" O VAL s 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR s 427 " --> pdb=" O VAL s 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL s 399 " --> pdb=" O THR s 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER s 429 " --> pdb=" O LEU s 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU s 397 " --> pdb=" O SER s 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER s 372 " --> pdb=" O LEU s 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL s 399 " --> pdb=" O SER s 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER s 374 " --> pdb=" O VAL s 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR s 401 " --> pdb=" O SER s 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP s 318 " --> pdb=" O ILE s 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE s 373 " --> pdb=" O ASP s 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER s 320 " --> pdb=" O ILE s 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN s 375 " --> pdb=" O SER s 320 " (cutoff:3.500A) Processing sheet with id=164, first strand: chain 's' and resid 304 through 306 Processing sheet with id=165, first strand: chain 's' and resid 323 through 325 Processing sheet with id=166, first strand: chain 't' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU t 419 " --> pdb=" O VAL t 407 " (cutoff:3.500A) removed outlier: 4.185A pdb=" N VAL t 425 " --> pdb=" O THR t 401 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N THR t 401 " --> pdb=" O VAL t 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR t 427 " --> pdb=" O VAL t 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL t 399 " --> pdb=" O THR t 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER t 429 " --> pdb=" O LEU t 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU t 397 " --> pdb=" O SER t 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER t 372 " --> pdb=" O LEU t 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL t 399 " --> pdb=" O SER t 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER t 374 " --> pdb=" O VAL t 399 " (cutoff:3.500A) removed outlier: 8.759A pdb=" N THR t 401 " --> pdb=" O SER t 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP t 318 " --> pdb=" O ILE t 371 " (cutoff:3.500A) removed outlier: 8.126A pdb=" N ILE t 373 " --> pdb=" O ASP t 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER t 320 " --> pdb=" O ILE t 373 " (cutoff:3.500A) removed outlier: 8.446A pdb=" N ASN t 375 " --> pdb=" O SER t 320 " (cutoff:3.500A) Processing sheet with id=167, first strand: chain 't' and resid 304 through 306 Processing sheet with id=168, first strand: chain 't' and resid 323 through 325 Processing sheet with id=169, first strand: chain 'u' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU u 419 " --> pdb=" O VAL u 407 " (cutoff:3.500A) removed outlier: 4.185A pdb=" N VAL u 425 " --> pdb=" O THR u 401 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N THR u 401 " --> pdb=" O VAL u 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR u 427 " --> pdb=" O VAL u 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL u 399 " --> pdb=" O THR u 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER u 429 " --> pdb=" O LEU u 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU u 397 " --> pdb=" O SER u 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER u 372 " --> pdb=" O LEU u 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL u 399 " --> pdb=" O SER u 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER u 374 " --> pdb=" O VAL u 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR u 401 " --> pdb=" O SER u 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP u 318 " --> pdb=" O ILE u 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE u 373 " --> pdb=" O ASP u 318 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N SER u 320 " --> pdb=" O ILE u 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN u 375 " --> pdb=" O SER u 320 " (cutoff:3.500A) Processing sheet with id=170, first strand: chain 'u' and resid 304 through 306 Processing sheet with id=171, first strand: chain 'u' and resid 323 through 325 Processing sheet with id=172, first strand: chain 'v' and resid 255 through 261 removed outlier: 4.456A pdb=" N GLU v 419 " --> pdb=" O VAL v 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL v 425 " --> pdb=" O THR v 401 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N THR v 401 " --> pdb=" O VAL v 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR v 427 " --> pdb=" O VAL v 399 " (cutoff:3.500A) removed outlier: 5.431A pdb=" N VAL v 399 " --> pdb=" O THR v 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER v 429 " --> pdb=" O LEU v 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU v 397 " --> pdb=" O SER v 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER v 372 " --> pdb=" O LEU v 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL v 399 " --> pdb=" O SER v 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER v 374 " --> pdb=" O VAL v 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR v 401 " --> pdb=" O SER v 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP v 318 " --> pdb=" O ILE v 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE v 373 " --> pdb=" O ASP v 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER v 320 " --> pdb=" O ILE v 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN v 375 " --> pdb=" O SER v 320 " (cutoff:3.500A) Processing sheet with id=173, first strand: chain 'v' and resid 304 through 306 Processing sheet with id=174, first strand: chain 'v' and resid 323 through 325 Processing sheet with id=175, first strand: chain 'w' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU w 419 " --> pdb=" O VAL w 407 " (cutoff:3.500A) removed outlier: 4.187A pdb=" N VAL w 425 " --> pdb=" O THR w 401 " (cutoff:3.500A) removed outlier: 5.272A pdb=" N THR w 401 " --> pdb=" O VAL w 425 " (cutoff:3.500A) removed outlier: 7.151A pdb=" N THR w 427 " --> pdb=" O VAL w 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL w 399 " --> pdb=" O THR w 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER w 429 " --> pdb=" O LEU w 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU w 397 " --> pdb=" O SER w 429 " (cutoff:3.500A) removed outlier: 6.437A pdb=" N SER w 372 " --> pdb=" O LEU w 397 " (cutoff:3.500A) removed outlier: 7.923A pdb=" N VAL w 399 " --> pdb=" O SER w 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER w 374 " --> pdb=" O VAL w 399 " (cutoff:3.500A) removed outlier: 8.758A pdb=" N THR w 401 " --> pdb=" O SER w 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP w 318 " --> pdb=" O ILE w 371 " (cutoff:3.500A) removed outlier: 8.126A pdb=" N ILE w 373 " --> pdb=" O ASP w 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER w 320 " --> pdb=" O ILE w 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN w 375 " --> pdb=" O SER w 320 " (cutoff:3.500A) Processing sheet with id=176, first strand: chain 'w' and resid 304 through 306 Processing sheet with id=177, first strand: chain 'w' and resid 323 through 325 Processing sheet with id=178, first strand: chain 'x' and resid 255 through 261 removed outlier: 4.457A pdb=" N GLU x 419 " --> pdb=" O VAL x 407 " (cutoff:3.500A) removed outlier: 4.186A pdb=" N VAL x 425 " --> pdb=" O THR x 401 " (cutoff:3.500A) removed outlier: 5.273A pdb=" N THR x 401 " --> pdb=" O VAL x 425 " (cutoff:3.500A) removed outlier: 7.152A pdb=" N THR x 427 " --> pdb=" O VAL x 399 " (cutoff:3.500A) removed outlier: 5.432A pdb=" N VAL x 399 " --> pdb=" O THR x 427 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N SER x 429 " --> pdb=" O LEU x 397 " (cutoff:3.500A) removed outlier: 5.596A pdb=" N LEU x 397 " --> pdb=" O SER x 429 " (cutoff:3.500A) removed outlier: 6.436A pdb=" N SER x 372 " --> pdb=" O LEU x 397 " (cutoff:3.500A) removed outlier: 7.922A pdb=" N VAL x 399 " --> pdb=" O SER x 372 " (cutoff:3.500A) removed outlier: 6.858A pdb=" N SER x 374 " --> pdb=" O VAL x 399 " (cutoff:3.500A) removed outlier: 8.757A pdb=" N THR x 401 " --> pdb=" O SER x 374 " (cutoff:3.500A) removed outlier: 7.006A pdb=" N ASP x 318 " --> pdb=" O ILE x 371 " (cutoff:3.500A) removed outlier: 8.127A pdb=" N ILE x 373 " --> pdb=" O ASP x 318 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N SER x 320 " --> pdb=" O ILE x 373 " (cutoff:3.500A) removed outlier: 8.445A pdb=" N ASN x 375 " --> pdb=" O SER x 320 " (cutoff:3.500A) Processing sheet with id=179, first strand: chain 'x' and resid 304 through 306 Processing sheet with id=180, first strand: chain 'x' and resid 323 through 325 4320 hydrogen bonds defined for protein. 12060 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: 42.89 Time building geometry restraints manager: 34.57 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: 31380 1.34 - 1.46: 12884 1.46 - 1.57: 51796 1.57 - 1.69: 0 1.69 - 1.81: 420 Bond restraints: 96480 Sorted by residual: bond pdb=" C PRO o 391 " pdb=" N PRO o 392 " ideal model delta sigma weight residual 1.332 1.367 -0.035 8.90e-03 1.26e+04 1.51e+01 bond pdb=" C PRO P 391 " pdb=" N PRO P 392 " ideal model delta sigma weight residual 1.332 1.367 -0.035 8.90e-03 1.26e+04 1.51e+01 bond pdb=" C PRO E 391 " pdb=" N PRO E 392 " ideal model delta sigma weight residual 1.332 1.367 -0.034 8.90e-03 1.26e+04 1.49e+01 bond pdb=" C PRO e 391 " pdb=" N PRO e 392 " ideal model delta sigma weight residual 1.332 1.367 -0.034 8.90e-03 1.26e+04 1.49e+01 bond pdb=" C PRO h 391 " pdb=" N PRO h 392 " ideal model delta sigma weight residual 1.332 1.367 -0.034 8.90e-03 1.26e+04 1.48e+01 ... (remaining 96475 not shown) Histogram of bond angle deviations from ideal: 99.59 - 106.47: 2613 106.47 - 113.36: 55907 113.36 - 120.25: 31681 120.25 - 127.14: 40003 127.14 - 134.03: 896 Bond angle restraints: 131100 Sorted by residual: angle pdb=" N PRO s 391 " pdb=" CA PRO s 391 " pdb=" C PRO s 391 " ideal model delta sigma weight residual 110.70 114.56 -3.86 1.22e+00 6.72e-01 1.00e+01 angle pdb=" N PRO 5 391 " pdb=" CA PRO 5 391 " pdb=" C PRO 5 391 " ideal model delta sigma weight residual 110.70 114.56 -3.86 1.22e+00 6.72e-01 1.00e+01 angle pdb=" N PRO k 391 " pdb=" CA PRO k 391 " pdb=" C PRO k 391 " ideal model delta sigma weight residual 110.70 114.56 -3.86 1.22e+00 6.72e-01 1.00e+01 angle pdb=" N PRO U 391 " pdb=" CA PRO U 391 " pdb=" C PRO U 391 " ideal model delta sigma weight residual 110.70 114.56 -3.86 1.22e+00 6.72e-01 1.00e+01 angle pdb=" N PRO V 391 " pdb=" CA PRO V 391 " pdb=" C PRO V 391 " ideal model delta sigma weight residual 110.70 114.56 -3.86 1.22e+00 6.72e-01 9.99e+00 ... (remaining 131095 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 14.59: 51544 14.59 - 29.18: 5936 29.18 - 43.78: 1200 43.78 - 58.37: 180 58.37 - 72.96: 180 Dihedral angle restraints: 59040 sinusoidal: 23040 harmonic: 36000 Sorted by residual: dihedral pdb=" CA LYS 7 362 " pdb=" C LYS 7 362 " pdb=" N PRO 7 363 " pdb=" CA PRO 7 363 " ideal model delta harmonic sigma weight residual -180.00 -162.25 -17.75 0 5.00e+00 4.00e-02 1.26e+01 dihedral pdb=" CA LYS n 362 " pdb=" C LYS n 362 " pdb=" N PRO n 363 " pdb=" CA PRO n 363 " ideal model delta harmonic sigma weight residual -180.00 -162.26 -17.74 0 5.00e+00 4.00e-02 1.26e+01 dihedral pdb=" CA LYS V 362 " pdb=" C LYS V 362 " pdb=" N PRO V 363 " pdb=" CA PRO V 363 " ideal model delta harmonic sigma weight residual 180.00 -162.27 -17.73 0 5.00e+00 4.00e-02 1.26e+01 ... (remaining 59037 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.037: 10907 0.037 - 0.073: 3028 0.073 - 0.110: 1475 0.110 - 0.147: 430 0.147 - 0.183: 60 Chirality restraints: 15900 Sorted by residual: chirality pdb=" CB THR q 386 " pdb=" CA THR q 386 " pdb=" OG1 THR q 386 " pdb=" CG2 THR q 386 " both_signs ideal model delta sigma weight residual False 2.55 2.37 0.18 2.00e-01 2.50e+01 8.39e-01 chirality pdb=" CB THR M 386 " pdb=" CA THR M 386 " pdb=" OG1 THR M 386 " pdb=" CG2 THR M 386 " both_signs ideal model delta sigma weight residual False 2.55 2.37 0.18 2.00e-01 2.50e+01 8.21e-01 chirality pdb=" CB THR U 386 " pdb=" CA THR U 386 " pdb=" OG1 THR U 386 " pdb=" CG2 THR U 386 " both_signs ideal model delta sigma weight residual False 2.55 2.37 0.18 2.00e-01 2.50e+01 8.17e-01 ... (remaining 15897 not shown) Planarity restraints: 16740 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C VAL T 407 " -0.029 5.00e-02 4.00e+02 4.43e-02 3.14e+00 pdb=" N PRO T 408 " 0.077 5.00e-02 4.00e+02 pdb=" CA PRO T 408 " -0.023 5.00e-02 4.00e+02 pdb=" CD PRO T 408 " -0.025 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C VAL C 407 " 0.029 5.00e-02 4.00e+02 4.42e-02 3.13e+00 pdb=" N PRO C 408 " -0.077 5.00e-02 4.00e+02 pdb=" CA PRO C 408 " 0.023 5.00e-02 4.00e+02 pdb=" CD PRO C 408 " 0.025 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C VAL f 407 " 0.029 5.00e-02 4.00e+02 4.42e-02 3.13e+00 pdb=" N PRO f 408 " -0.077 5.00e-02 4.00e+02 pdb=" CA PRO f 408 " 0.023 5.00e-02 4.00e+02 pdb=" CD PRO f 408 " 0.025 5.00e-02 4.00e+02 ... (remaining 16737 not shown) Histogram of nonbonded interaction distances: 1.80 - 2.42: 720 2.42 - 3.04: 60444 3.04 - 3.66: 150498 3.66 - 4.28: 200145 4.28 - 4.90: 328335 Nonbonded interactions: 740142 Sorted by model distance: nonbonded pdb=" OXT LEU V 459 " pdb=" OE1 GLU n 343 " model vdw 1.800 3.040 nonbonded pdb=" OXT LEU E 459 " pdb=" OE1 GLU 1 343 " model vdw 1.802 3.040 nonbonded pdb=" OE1 GLU E 343 " pdb=" OXT LEU 1 459 " model vdw 1.802 3.040 nonbonded pdb=" OE1 GLU V 343 " pdb=" OXT LEU n 459 " model vdw 1.804 3.040 nonbonded pdb=" OE1 GLU S 343 " pdb=" OXT LEU 8 459 " model vdw 1.804 3.040 ... (remaining 740137 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = chain '0' selection = chain '1' selection = chain '2' selection = chain '3' selection = chain '4' selection = chain '5' selection = chain '6' selection = chain '7' selection = chain '8' selection = chain '9' selection = chain 'A' selection = chain 'B' selection = chain 'C' selection = chain 'D' selection = chain 'E' selection = chain 'F' selection = chain 'G' selection = chain 'H' selection = chain 'I' selection = chain 'J' selection = chain 'K' selection = chain 'L' selection = chain 'M' selection = chain 'N' selection = chain 'O' selection = chain 'P' selection = chain 'Q' selection = chain 'R' selection = chain 'S' selection = chain 'T' selection = chain 'U' selection = chain 'V' selection = chain 'W' selection = chain 'X' selection = chain 'Y' selection = chain 'Z' selection = chain 'a' selection = chain 'b' selection = chain 'c' selection = chain 'd' selection = chain 'e' selection = chain 'f' selection = chain 'g' selection = chain 'h' selection = chain 'i' selection = chain 'j' selection = chain 'k' selection = chain 'l' selection = chain 'm' selection = chain 'n' selection = chain 'o' selection = chain 'p' selection = chain 'q' selection = chain 'r' selection = chain 's' selection = chain 't' selection = chain 'u' selection = chain 'v' selection = chain 'w' selection = chain 'x' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 240 5.16 5 C 60300 2.51 5 N 16260 2.21 5 O 18180 1.98 5 sf(0) = scattering factor at diffraction angle 0. Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 5.060 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: 0.120 Extract box with map and model: 18.820 Check model and map are aligned: 1.080 Convert atoms to be neutral: 0.670 Process input model: 197.560 Find NCS groups from input model: 5.160 Set up NCS constraints: 1.150 Set refine NCS operators: 0.000 Set scattering table: 0.030 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.020 Load rotamer database and sin/cos tables:2.810 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 232.480 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8368 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 : 0.003 0.035 96480 Z= 0.206 Angle : 0.713 8.195 131100 Z= 0.408 Chirality : 0.046 0.183 15900 Planarity : 0.005 0.044 16740 Dihedral : 13.106 72.962 35640 Min Nonbonded Distance : 1.800 Molprobity Statistics. All-atom Clashscore : 14.96 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.90 % Favored : 97.10 % Rotamer Outliers : 0.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.97 (0.07), residues: 12420 helix: 0.88 (0.08), residues: 4320 sheet: -0.12 (0.08), residues: 2520 loop : -2.19 (0.07), residues: 5580 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 24840 Ramachandran restraints generated. 12420 Oldfield, 0 Emsley, 12420 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 24840 Ramachandran restraints generated. 12420 Oldfield, 0 Emsley, 12420 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2430 residues out of total 10440 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 2430 time to evaluate : 8.761 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 0 outliers final: 0 residues processed: 2430 average time/residue: 0.8530 time to fit residues: 3484.8475 Evaluate side-chains 1788 residues out of total 10440 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1788 time to evaluate : 8.789 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 11.7228 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1200 random chunks: chunk 1013 optimal weight: 0.9990 chunk 909 optimal weight: 0.6980 chunk 504 optimal weight: 3.9990 chunk 310 optimal weight: 3.9990 chunk 613 optimal weight: 3.9990 chunk 485 optimal weight: 7.9990 chunk 940 optimal weight: 5.9990 chunk 363 optimal weight: 5.9990 chunk 571 optimal weight: 7.9990 chunk 700 optimal weight: 3.9990 chunk 1089 optimal weight: 2.9990 overall best weight: 2.5388 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: C 313 GLN I 313 GLN L 313 GLN R 313 GLN T 313 GLN 0 313 GLN 7 313 GLN d 313 GLN f 313 GLN m 313 GLN r 313 GLN s 313 GLN Total number of N/Q/H flips: 12 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8537 moved from start: 0.2192 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.057 96480 Z= 0.360 Angle : 0.731 11.075 131100 Z= 0.374 Chirality : 0.049 0.197 15900 Planarity : 0.005 0.056 16740 Dihedral : 6.039 57.333 13140 Min Nonbonded Distance : 2.208 Molprobity Statistics. All-atom Clashscore : 11.92 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.92 % Favored : 95.08 % Rotamer Outliers : 3.48 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.80 (0.07), residues: 12420 helix: 1.12 (0.08), residues: 4320 sheet: 0.22 (0.09), residues: 2640 loop : -2.39 (0.07), residues: 5460 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 24840 Ramachandran restraints generated. 12420 Oldfield, 0 Emsley, 12420 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 24840 Ramachandran restraints generated. 12420 Oldfield, 0 Emsley, 12420 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2372 residues out of total 10440 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 363 poor density : 2009 time to evaluate : 9.058 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 outliers start: 363 outliers final: 188 residues processed: 2240 average time/residue: 0.9055 time to fit residues: 3389.3869 Evaluate side-chains 1893 residues out of total 10440 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 188 poor density : 1705 time to evaluate : 8.840 Switching outliers to nearest non-outliers outliers start: 188 outliers final: 0 residues processed: 188 average time/residue: 0.6908 time to fit residues: 252.5800 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1200 random chunks: chunk 605 optimal weight: 6.9990 chunk 338 optimal weight: 1.9990 chunk 906 optimal weight: 4.9990 chunk 742 optimal weight: 2.9990 chunk 300 optimal weight: 5.9990 chunk 1091 optimal weight: 0.8980 chunk 1179 optimal weight: 1.9990 chunk 972 optimal weight: 4.9990 chunk 1082 optimal weight: 7.9990 chunk 372 optimal weight: 4.9990 chunk 875 optimal weight: 5.9990 overall best weight: 2.5788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: S 367 GLN Total number of N/Q/H flips: 1 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8580 moved from start: 0.2890 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.063 96480 Z= 0.359 Angle : 0.735 13.799 131100 Z= 0.368 Chirality : 0.047 0.162 15900 Planarity : 0.005 0.041 16740 Dihedral : 6.706 74.224 13140 Min Nonbonded Distance : 2.207 Molprobity Statistics. All-atom Clashscore : 12.72 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.69 % Favored : 95.31 % Rotamer Outliers : 1.75 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.88 (0.07), residues: 12420 helix: 1.08 (0.08), residues: 4320 sheet: 0.11 (0.09), residues: 2640 loop : -2.42 (0.07), residues: 5460 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 24840 Ramachandran restraints generated. 12420 Oldfield, 0 Emsley, 12420 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 24840 Ramachandran restraints generated. 12420 Oldfield, 0 Emsley, 12420 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2224 residues out of total 10440 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 183 poor density : 2041 time to evaluate : 9.168 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 183 outliers final: 109 residues processed: 2167 average time/residue: 0.8691 time to fit residues: 3169.6990 Evaluate side-chains 1811 residues out of total 10440 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 109 poor density : 1702 time to evaluate : 8.808 Switching outliers to nearest non-outliers outliers start: 109 outliers final: 0 residues processed: 109 average time/residue: 0.6249 time to fit residues: 143.5940 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1200 random chunks: chunk 1078 optimal weight: 0.8980 chunk 820 optimal weight: 6.9990 chunk 566 optimal weight: 3.9990 chunk 120 optimal weight: 5.9990 chunk 521 optimal weight: 0.8980 chunk 733 optimal weight: 0.0030 chunk 1095 optimal weight: 2.9990 chunk 1159 optimal weight: 1.9990 chunk 572 optimal weight: 5.9990 chunk 1038 optimal weight: 0.5980 chunk 312 optimal weight: 0.0870 overall best weight: 0.4968 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: G 423 GLN U 423 GLN Total number of N/Q/H flips: 2 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8508 moved from start: 0.3003 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.045 96480 Z= 0.213 Angle : 0.679 11.665 131100 Z= 0.342 Chirality : 0.045 0.173 15900 Planarity : 0.005 0.038 16740 Dihedral : 6.549 78.200 13140 Min Nonbonded Distance : 2.230 Molprobity Statistics. All-atom Clashscore : 11.72 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.81 % Favored : 95.19 % Rotamer Outliers : 2.16 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.61 (0.07), residues: 12420 helix: 1.36 (0.08), residues: 4320 sheet: -0.14 (0.08), residues: 3360 loop : -2.35 (0.08), residues: 4740 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 24840 Ramachandran restraints generated. 12420 Oldfield, 0 Emsley, 12420 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 24840 Ramachandran restraints generated. 12420 Oldfield, 0 Emsley, 12420 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2283 residues out of total 10440 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 226 poor density : 2057 time to evaluate : 9.258 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 226 outliers final: 125 residues processed: 2180 average time/residue: 0.8935 time to fit residues: 3288.8400 Evaluate side-chains 1880 residues out of total 10440 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 125 poor density : 1755 time to evaluate : 8.831 Switching outliers to nearest non-outliers outliers start: 125 outliers final: 0 residues processed: 125 average time/residue: 0.6300 time to fit residues: 164.7281 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1200 random chunks: chunk 966 optimal weight: 5.9990 chunk 658 optimal weight: 0.7980 chunk 16 optimal weight: 0.9990 chunk 863 optimal weight: 0.9980 chunk 478 optimal weight: 3.9990 chunk 989 optimal weight: 3.9990 chunk 801 optimal weight: 0.3980 chunk 1 optimal weight: 0.9980 chunk 592 optimal weight: 5.9990 chunk 1041 optimal weight: 0.7980 chunk 292 optimal weight: 0.0070 overall best weight: 0.5998 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8499 moved from start: 0.3212 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.040 96480 Z= 0.209 Angle : 0.673 11.981 131100 Z= 0.337 Chirality : 0.045 0.191 15900 Planarity : 0.005 0.047 16740 Dihedral : 6.444 80.947 13140 Min Nonbonded Distance : 2.234 Molprobity Statistics. All-atom Clashscore : 11.12 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.26 % Favored : 94.74 % Rotamer Outliers : 2.32 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.55 (0.07), residues: 12420 helix: 1.44 (0.08), residues: 4320 sheet: -0.10 (0.08), residues: 3240 loop : -2.30 (0.08), residues: 4860 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 24840 Ramachandran restraints generated. 12420 Oldfield, 0 Emsley, 12420 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 24840 Ramachandran restraints generated. 12420 Oldfield, 0 Emsley, 12420 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2297 residues out of total 10440 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 242 poor density : 2055 time to evaluate : 8.891 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 outliers start: 242 outliers final: 75 residues processed: 2230 average time/residue: 0.8783 time to fit residues: 3330.8806 Evaluate side-chains 1870 residues out of total 10440 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 75 poor density : 1795 time to evaluate : 8.815 Switching outliers to nearest non-outliers outliers start: 75 outliers final: 0 residues processed: 75 average time/residue: 0.6447 time to fit residues: 104.8082 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1200 random chunks: chunk 390 optimal weight: 3.9990 chunk 1044 optimal weight: 4.9990 chunk 229 optimal weight: 0.3980 chunk 681 optimal weight: 4.9990 chunk 286 optimal weight: 4.9990 chunk 1161 optimal weight: 3.9990 chunk 963 optimal weight: 0.9980 chunk 537 optimal weight: 0.9980 chunk 96 optimal weight: 0.6980 chunk 384 optimal weight: 1.9990 chunk 609 optimal weight: 0.9990 overall best weight: 0.8182 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... No N/Q/H corrections needed this macrocycle ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8501 moved from start: 0.3401 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.039 96480 Z= 0.217 Angle : 0.687 11.767 131100 Z= 0.344 Chirality : 0.045 0.200 15900 Planarity : 0.005 0.063 16740 Dihedral : 6.412 83.086 13140 Min Nonbonded Distance : 2.213 Molprobity Statistics. All-atom Clashscore : 11.43 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.08 % Favored : 94.92 % Rotamer Outliers : 2.19 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.49 (0.07), residues: 12420 helix: 1.53 (0.08), residues: 4320 sheet: -0.02 (0.08), residues: 3240 loop : -2.34 (0.08), residues: 4860 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 24840 Ramachandran restraints generated. 12420 Oldfield, 0 Emsley, 12420 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 24840 Ramachandran restraints generated. 12420 Oldfield, 0 Emsley, 12420 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2231 residues out of total 10440 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 229 poor density : 2002 time to evaluate : 8.951 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 outliers start: 229 outliers final: 109 residues processed: 2124 average time/residue: 0.8568 time to fit residues: 3090.0007 Evaluate side-chains 1848 residues out of total 10440 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 109 poor density : 1739 time to evaluate : 8.835 Switching outliers to nearest non-outliers outliers start: 109 outliers final: 0 residues processed: 109 average time/residue: 0.6411 time to fit residues: 145.9097 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1200 random chunks: chunk 1119 optimal weight: 1.9990 chunk 130 optimal weight: 8.9990 chunk 661 optimal weight: 3.9990 chunk 847 optimal weight: 3.9990 chunk 656 optimal weight: 0.0070 chunk 977 optimal weight: 5.9990 chunk 648 optimal weight: 7.9990 chunk 1156 optimal weight: 9.9990 chunk 723 optimal weight: 3.9990 chunk 705 optimal weight: 7.9990 chunk 533 optimal weight: 1.9990 overall best weight: 2.4006 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** J 423 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 423 GLN Z 423 GLN i 423 GLN ** l 367 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 423 GLN Total number of N/Q/H flips: 4 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8592 moved from start: 0.3763 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.005 0.049 96480 Z= 0.341 Angle : 0.749 14.415 131100 Z= 0.373 Chirality : 0.047 0.196 15900 Planarity : 0.005 0.064 16740 Dihedral : 6.780 86.209 13140 Min Nonbonded Distance : 2.059 Molprobity Statistics. All-atom Clashscore : 13.61 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.65 % Favored : 94.35 % Rotamer Outliers : 2.09 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.64 (0.07), residues: 12420 helix: 1.34 (0.08), residues: 4320 sheet: -0.14 (0.08), residues: 3360 loop : -2.37 (0.08), residues: 4740 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 24840 Ramachandran restraints generated. 12420 Oldfield, 0 Emsley, 12420 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 24840 Ramachandran restraints generated. 12420 Oldfield, 0 Emsley, 12420 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2085 residues out of total 10440 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 218 poor density : 1867 time to evaluate : 8.908 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 outliers start: 218 outliers final: 104 residues processed: 2019 average time/residue: 0.8805 time to fit residues: 2996.1580 Evaluate side-chains 1840 residues out of total 10440 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 104 poor density : 1736 time to evaluate : 8.792 Switching outliers to nearest non-outliers outliers start: 104 outliers final: 0 residues processed: 104 average time/residue: 0.6466 time to fit residues: 141.5317 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1200 random chunks: chunk 715 optimal weight: 0.9980 chunk 461 optimal weight: 0.4980 chunk 690 optimal weight: 3.9990 chunk 348 optimal weight: 6.9990 chunk 227 optimal weight: 2.9990 chunk 224 optimal weight: 2.9990 chunk 735 optimal weight: 0.6980 chunk 787 optimal weight: 7.9990 chunk 571 optimal weight: 2.9990 chunk 107 optimal weight: 9.9990 chunk 909 optimal weight: 1.9990 overall best weight: 1.4384 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** J 423 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 367 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 0 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8568 moved from start: 0.3862 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.059 96480 Z= 0.268 Angle : 0.747 14.356 131100 Z= 0.371 Chirality : 0.046 0.208 15900 Planarity : 0.005 0.050 16740 Dihedral : 6.758 87.867 13140 Min Nonbonded Distance : 2.116 Molprobity Statistics. All-atom Clashscore : 13.80 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.09 % Favored : 94.91 % Rotamer Outliers : 1.48 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.54 (0.07), residues: 12420 helix: 1.45 (0.08), residues: 4320 sheet: -0.08 (0.08), residues: 3360 loop : -2.35 (0.08), residues: 4740 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 24840 Ramachandran restraints generated. 12420 Oldfield, 0 Emsley, 12420 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 24840 Ramachandran restraints generated. 12420 Oldfield, 0 Emsley, 12420 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2047 residues out of total 10440 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 154 poor density : 1893 time to evaluate : 9.075 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 154 outliers final: 110 residues processed: 1970 average time/residue: 0.8788 time to fit residues: 2910.5476 Evaluate side-chains 1832 residues out of total 10440 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 110 poor density : 1722 time to evaluate : 8.847 Switching outliers to nearest non-outliers outliers start: 110 outliers final: 0 residues processed: 110 average time/residue: 0.6556 time to fit residues: 148.9990 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1200 random chunks: chunk 1052 optimal weight: 8.9990 chunk 1108 optimal weight: 0.0170 chunk 1010 optimal weight: 4.9990 chunk 1077 optimal weight: 0.9990 chunk 1107 optimal weight: 2.9990 chunk 648 optimal weight: 8.9990 chunk 469 optimal weight: 0.6980 chunk 846 optimal weight: 7.9990 chunk 330 optimal weight: 4.9990 chunk 973 optimal weight: 5.9990 chunk 1019 optimal weight: 3.9990 overall best weight: 1.7424 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 423 GLN ** l 367 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 1 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8586 moved from start: 0.4045 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.052 96480 Z= 0.292 Angle : 0.783 15.047 131100 Z= 0.388 Chirality : 0.047 0.213 15900 Planarity : 0.005 0.049 16740 Dihedral : 6.851 89.534 13140 Min Nonbonded Distance : 2.157 Molprobity Statistics. All-atom Clashscore : 14.84 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.16 % Favored : 94.84 % Rotamer Outliers : 0.75 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.55 (0.07), residues: 12420 helix: 1.44 (0.08), residues: 4320 sheet: -0.09 (0.08), residues: 3360 loop : -2.35 (0.08), residues: 4740 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 24840 Ramachandran restraints generated. 12420 Oldfield, 0 Emsley, 12420 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 24840 Ramachandran restraints generated. 12420 Oldfield, 0 Emsley, 12420 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1952 residues out of total 10440 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 78 poor density : 1874 time to evaluate : 8.934 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: 78 outliers final: 42 residues processed: 1920 average time/residue: 0.8987 time to fit residues: 2913.0617 Evaluate side-chains 1741 residues out of total 10440 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 42 poor density : 1699 time to evaluate : 8.844 Switching outliers to nearest non-outliers outliers start: 42 outliers final: 0 residues processed: 42 average time/residue: 0.6555 time to fit residues: 64.2733 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1200 random chunks: chunk 1074 optimal weight: 0.9980 chunk 707 optimal weight: 0.9990 chunk 1139 optimal weight: 0.8980 chunk 695 optimal weight: 8.9990 chunk 540 optimal weight: 0.9990 chunk 792 optimal weight: 4.9990 chunk 1195 optimal weight: 0.0980 chunk 1100 optimal weight: 2.9990 chunk 951 optimal weight: 5.9990 chunk 98 optimal weight: 0.7980 chunk 735 optimal weight: 2.9990 overall best weight: 0.7582 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** D 423 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 423 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 423 GLN Total number of N/Q/H flips: 1 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8547 moved from start: 0.4090 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.048 96480 Z= 0.242 Angle : 0.772 13.993 131100 Z= 0.385 Chirality : 0.047 0.232 15900 Planarity : 0.005 0.056 16740 Dihedral : 6.736 89.183 13140 Min Nonbonded Distance : 2.190 Molprobity Statistics. All-atom Clashscore : 13.91 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.26 % Favored : 94.74 % Rotamer Outliers : 0.74 % Cbeta Deviations : 0.01 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.43 (0.07), residues: 12420 helix: 1.51 (0.08), residues: 4320 sheet: 0.04 (0.08), residues: 3360 loop : -2.31 (0.08), residues: 4740 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 24840 Ramachandran restraints generated. 12420 Oldfield, 0 Emsley, 12420 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 24840 Ramachandran restraints generated. 12420 Oldfield, 0 Emsley, 12420 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1886 residues out of total 10440 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 77 poor density : 1809 time to evaluate : 9.176 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 outliers start: 77 outliers final: 60 residues processed: 1831 average time/residue: 0.8883 time to fit residues: 2759.7270 Evaluate side-chains 1755 residues out of total 10440 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 60 poor density : 1695 time to evaluate : 8.879 Switching outliers to nearest non-outliers outliers start: 60 outliers final: 0 residues processed: 60 average time/residue: 0.6487 time to fit residues: 87.3735 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1200 random chunks: chunk 583 optimal weight: 2.9990 chunk 756 optimal weight: 5.9990 chunk 1014 optimal weight: 0.9990 chunk 291 optimal weight: 7.9990 chunk 877 optimal weight: 3.9990 chunk 140 optimal weight: 7.9990 chunk 264 optimal weight: 0.8980 chunk 953 optimal weight: 0.4980 chunk 399 optimal weight: 0.9990 chunk 979 optimal weight: 0.9980 chunk 120 optimal weight: 0.2980 overall best weight: 0.7382 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** D 423 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 423 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 423 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 423 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 423 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 0 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3639 r_free = 0.3639 target = 0.100897 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 37)----------------| | r_work = 0.3296 r_free = 0.3296 target = 0.082027 restraints weight = 234376.064| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 40)----------------| | r_work = 0.3337 r_free = 0.3337 target = 0.084105 restraints weight = 156055.593| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 40)----------------| | r_work = 0.3363 r_free = 0.3363 target = 0.085545 restraints weight = 120108.004| |-----------------------------------------------------------------------------| r_work (final): 0.3366 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8574 moved from start: 0.4167 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.044 96480 Z= 0.237 Angle : 0.768 13.525 131100 Z= 0.383 Chirality : 0.047 0.244 15900 Planarity : 0.005 0.056 16740 Dihedral : 6.618 89.735 13140 Min Nonbonded Distance : 2.206 Molprobity Statistics. All-atom Clashscore : 13.76 Ramachandran Plot: Outliers : 0.00 % Allowed : 4.73 % Favored : 95.27 % Rotamer Outliers : 0.32 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.39 (0.07), residues: 12420 helix: 1.58 (0.08), residues: 4320 sheet: 0.07 (0.08), residues: 3360 loop : -2.33 (0.08), residues: 4740 =============================================================================== Job complete usr+sys time: 38113.93 seconds wall clock time: 660 minutes 47.10 seconds (39647.10 seconds total)