Starting phenix.real_space_refine (version: 1.19rc7) on Tue Jan 19 14:30:08 2021 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6bx0_7301/01_2021/6bx0_7301.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6bx0_7301/01_2021/6bx0_7301.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.79 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6bx0_7301/01_2021/6bx0_7301.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6bx0_7301/01_2021/6bx0_7301.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6bx0_7301/01_2021/6bx0_7301.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6bx0_7301/01_2021/6bx0_7301.pdb" } resolution = 3.79 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= 1.000 Set model interpretation parameters Set stop_for_unknowns flag Set to: True Assert model is a single copy model 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 TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 TYR 211": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 TYR 507": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.37s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-1.19rc7-4070/modules/chem_data/mon_lib" Total number of atoms: 259560 Number of models: 1 Model: "" Number of chains: 60 Chain: "A" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "B" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "C" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "D" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "E" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "F" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "G" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "H" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "I" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "J" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "K" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "L" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "M" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "N" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "O" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "P" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "Q" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "R" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "S" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "T" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "U" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "V" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "W" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "X" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "Y" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "Z" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "0" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "1" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "2" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "3" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "4" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "5" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "a" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "b" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "c" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "d" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "e" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "f" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "g" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "h" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "i" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "j" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "k" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "l" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "m" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "n" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "o" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "p" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "q" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "r" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "s" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "t" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "u" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "v" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "w" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "x" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "y" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "z" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "6" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Chain: "7" Number of atoms: 4326 Number of conformers: 1 Conformer: "" Number of residues, atoms: 535, 4326 Classifications: {'peptide': 535} Link IDs: {'CIS': 20, 'PTRANS': 32, 'TRANS': 479, 'PCIS': 3} Time building chain proxies: 86.57, per 1000 atoms: 0.33 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 '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' selection = chain 'y' selection = chain 'z' } Number of scatterers: 259560 At special positions: 0 Unit cell: (284.26, 284.26, 284.26, 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 1140 16.00 O 49020 8.00 N 45780 7.00 C 163620 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=60, symmetry=0 Simple disulfide: pdb=" SG CYS A 210 " - pdb=" SG CYS I 289 " distance=2.01 Simple disulfide: pdb=" SG CYS A 289 " - pdb=" SG CYS G 210 " distance=2.03 Simple disulfide: pdb=" SG CYS B 210 " - pdb=" SG CYS L 289 " distance=2.01 Simple disulfide: pdb=" SG CYS B 289 " - pdb=" SG CYS J 210 " distance=2.01 Simple disulfide: pdb=" SG CYS C 210 " - pdb=" SG CYS M 289 " distance=2.01 Simple disulfide: pdb=" SG CYS C 289 " - pdb=" SG CYS 1 210 " distance=2.01 Simple disulfide: pdb=" SG CYS D 210 " - pdb=" SG CYS P 289 " distance=2.01 Simple disulfide: pdb=" SG CYS D 289 " - pdb=" SG CYS N 210 " distance=2.01 Simple disulfide: pdb=" SG CYS E 210 " - pdb=" SG CYS F 289 " distance=2.01 Simple disulfide: pdb=" SG CYS E 289 " - pdb=" SG CYS Q 210 " distance=2.01 Simple disulfide: pdb=" SG CYS F 210 " - pdb=" SG CYS Q 289 " distance=2.01 Simple disulfide: pdb=" SG CYS G 289 " - pdb=" SG CYS I 210 " distance=2.01 Simple disulfide: pdb=" SG CYS H 210 " - pdb=" SG CYS Y 289 " distance=2.01 Simple disulfide: pdb=" SG CYS H 289 " - pdb=" SG CYS W 210 " distance=2.01 Simple disulfide: pdb=" SG CYS J 289 " - pdb=" SG CYS L 210 " distance=2.01 Simple disulfide: pdb=" SG CYS K 210 " - pdb=" SG CYS 7 289 " distance=2.01 Simple disulfide: pdb=" SG CYS K 289 " - pdb=" SG CYS 0 210 " distance=2.01 Simple disulfide: pdb=" SG CYS M 210 " - pdb=" SG CYS 1 289 " distance=2.01 Simple disulfide: pdb=" SG CYS N 289 " - pdb=" SG CYS P 210 " distance=2.01 Simple disulfide: pdb=" SG CYS O 210 " - pdb=" SG CYS h 289 " distance=2.01 Simple disulfide: pdb=" SG CYS O 289 " - pdb=" SG CYS g 210 " distance=2.01 Simple disulfide: pdb=" SG CYS R 210 " - pdb=" SG CYS U 289 " distance=2.01 Simple disulfide: pdb=" SG CYS R 289 " - pdb=" SG CYS S 210 " distance=2.01 Simple disulfide: pdb=" SG CYS S 289 " - pdb=" SG CYS U 210 " distance=2.01 Simple disulfide: pdb=" SG CYS T 210 " - pdb=" SG CYS f 289 " distance=2.01 Simple disulfide: pdb=" SG CYS T 289 " - pdb=" SG CYS 3 210 " distance=2.01 Simple disulfide: pdb=" SG CYS V 210 " - pdb=" SG CYS X 289 " distance=2.01 Simple disulfide: pdb=" SG CYS V 289 " - pdb=" SG CYS 4 210 " distance=2.01 Simple disulfide: pdb=" SG CYS W 289 " - pdb=" SG CYS Y 210 " distance=2.01 Simple disulfide: pdb=" SG CYS X 210 " - pdb=" SG CYS 4 289 " distance=2.01 Simple disulfide: pdb=" SG CYS Z 210 " - pdb=" SG CYS w 289 " distance=2.01 Simple disulfide: pdb=" SG CYS Z 289 " - pdb=" SG CYS x 210 " distance=2.01 Simple disulfide: pdb=" SG CYS 0 289 " - pdb=" SG CYS 7 210 " distance=2.01 Simple disulfide: pdb=" SG CYS 2 210 " - pdb=" SG CYS j 289 " distance=2.01 Simple disulfide: pdb=" SG CYS 2 289 " - pdb=" SG CYS i 210 " distance=2.01 Simple disulfide: pdb=" SG CYS 3 289 " - pdb=" SG CYS f 210 " distance=2.01 Simple disulfide: pdb=" SG CYS 5 210 " - pdb=" SG CYS a 289 " distance=2.02 Simple disulfide: pdb=" SG CYS 5 289 " - pdb=" SG CYS b 210 " distance=2.00 Simple disulfide: pdb=" SG CYS a 210 " - pdb=" SG CYS b 289 " distance=2.03 Simple disulfide: pdb=" SG CYS c 210 " - pdb=" SG CYS e 289 " distance=2.01 Simple disulfide: pdb=" SG CYS c 289 " - pdb=" SG CYS d 210 " distance=2.01 Simple disulfide: pdb=" SG CYS d 289 " - pdb=" SG CYS e 210 " distance=2.01 Simple disulfide: pdb=" SG CYS g 289 " - pdb=" SG CYS h 210 " distance=2.01 Simple disulfide: pdb=" SG CYS i 289 " - pdb=" SG CYS j 210 " distance=2.01 Simple disulfide: pdb=" SG CYS k 210 " - pdb=" SG CYS m 289 " distance=2.01 Simple disulfide: pdb=" SG CYS k 289 " - pdb=" SG CYS l 210 " distance=2.01 Simple disulfide: pdb=" SG CYS l 289 " - pdb=" SG CYS m 210 " distance=2.01 Simple disulfide: pdb=" SG CYS n 210 " - pdb=" SG CYS p 289 " distance=2.01 Simple disulfide: pdb=" SG CYS n 289 " - pdb=" SG CYS o 210 " distance=2.01 Simple disulfide: pdb=" SG CYS o 289 " - pdb=" SG CYS p 210 " distance=2.01 Simple disulfide: pdb=" SG CYS q 210 " - pdb=" SG CYS s 289 " distance=2.01 Simple disulfide: pdb=" SG CYS q 289 " - pdb=" SG CYS r 210 " distance=2.01 Simple disulfide: pdb=" SG CYS r 289 " - pdb=" SG CYS s 210 " distance=2.01 Simple disulfide: pdb=" SG CYS t 210 " - pdb=" SG CYS v 289 " distance=2.01 Simple disulfide: pdb=" SG CYS t 289 " - pdb=" SG CYS u 210 " distance=2.01 Simple disulfide: pdb=" SG CYS u 289 " - pdb=" SG CYS v 210 " distance=2.01 Simple disulfide: pdb=" SG CYS w 210 " - pdb=" SG CYS x 289 " distance=2.01 Simple disulfide: pdb=" SG CYS y 210 " - pdb=" SG CYS 6 289 " distance=2.01 Simple disulfide: pdb=" SG CYS y 289 " - pdb=" SG CYS z 210 " distance=2.01 Simple disulfide: pdb=" SG CYS z 289 " - pdb=" SG CYS 6 210 " distance=2.01 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amimo 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: 68.31 Conformation dependent library (CDL) restraints added in 23.2 seconds 63960 Ramachandran restraints generated. 31980 Oldfield and 0 Emsley and 31980 emsley8k. Adding C-beta torsion restraints... Number of C-beta restraints generated: 59400 Finding SS restraints... Secondary structure from input PDB file: 300 helices and 600 sheets defined 6.0% alpha, 28.7% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 9.77 Creating SS restraints... Processing helix chain 'A' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE A 97 " --> pdb=" O ARG A 94 " (cutoff:3.500A) Processing helix chain 'A' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP A 120 " --> pdb=" O CYS A 116 " (cutoff:3.500A) Processing helix chain 'A' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN A 128 " --> pdb=" O ALA A 124 " (cutoff:3.500A) Processing helix chain 'A' and resid 407 through 411 Processing helix chain 'A' and resid 541 through 545 Processing helix chain 'B' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE B 97 " --> pdb=" O ARG B 94 " (cutoff:3.500A) Processing helix chain 'B' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP B 120 " --> pdb=" O CYS B 116 " (cutoff:3.500A) Processing helix chain 'B' and resid 122 through 132 removed outlier: 4.057A pdb=" N GLN B 128 " --> pdb=" O ALA B 124 " (cutoff:3.500A) Processing helix chain 'B' and resid 407 through 411 Processing helix chain 'B' and resid 541 through 545 Processing helix chain 'C' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE C 97 " --> pdb=" O ARG C 94 " (cutoff:3.500A) Processing helix chain 'C' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP C 120 " --> pdb=" O CYS C 116 " (cutoff:3.500A) Processing helix chain 'C' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN C 128 " --> pdb=" O ALA C 124 " (cutoff:3.500A) Processing helix chain 'C' and resid 407 through 411 Processing helix chain 'C' and resid 541 through 545 Processing helix chain 'D' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE D 97 " --> pdb=" O ARG D 94 " (cutoff:3.500A) Processing helix chain 'D' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP D 120 " --> pdb=" O CYS D 116 " (cutoff:3.500A) Processing helix chain 'D' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN D 128 " --> pdb=" O ALA D 124 " (cutoff:3.500A) Processing helix chain 'D' and resid 407 through 411 Processing helix chain 'D' and resid 541 through 545 Processing helix chain 'E' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE E 97 " --> pdb=" O ARG E 94 " (cutoff:3.500A) Processing helix chain 'E' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP E 120 " --> pdb=" O CYS E 116 " (cutoff:3.500A) Processing helix chain 'E' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN E 128 " --> pdb=" O ALA E 124 " (cutoff:3.500A) Processing helix chain 'E' and resid 407 through 411 Processing helix chain 'E' and resid 541 through 545 Processing helix chain 'F' and resid 93 through 97 removed outlier: 4.384A pdb=" N ILE F 97 " --> pdb=" O ARG F 94 " (cutoff:3.500A) Processing helix chain 'F' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP F 120 " --> pdb=" O CYS F 116 " (cutoff:3.500A) Processing helix chain 'F' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN F 128 " --> pdb=" O ALA F 124 " (cutoff:3.500A) Processing helix chain 'F' and resid 407 through 411 Processing helix chain 'F' and resid 541 through 545 Processing helix chain 'G' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE G 97 " --> pdb=" O ARG G 94 " (cutoff:3.500A) Processing helix chain 'G' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP G 120 " --> pdb=" O CYS G 116 " (cutoff:3.500A) Processing helix chain 'G' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN G 128 " --> pdb=" O ALA G 124 " (cutoff:3.500A) Processing helix chain 'G' and resid 407 through 411 Processing helix chain 'G' and resid 541 through 545 Processing helix chain 'H' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE H 97 " --> pdb=" O ARG H 94 " (cutoff:3.500A) Processing helix chain 'H' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP H 120 " --> pdb=" O CYS H 116 " (cutoff:3.500A) Processing helix chain 'H' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN H 128 " --> pdb=" O ALA H 124 " (cutoff:3.500A) Processing helix chain 'H' and resid 407 through 411 Processing helix chain 'H' and resid 541 through 545 Processing helix chain 'I' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE I 97 " --> pdb=" O ARG I 94 " (cutoff:3.500A) Processing helix chain 'I' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP I 120 " --> pdb=" O CYS I 116 " (cutoff:3.500A) Processing helix chain 'I' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN I 128 " --> pdb=" O ALA I 124 " (cutoff:3.500A) Processing helix chain 'I' and resid 407 through 411 Processing helix chain 'I' and resid 541 through 545 Processing helix chain 'J' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE J 97 " --> pdb=" O ARG J 94 " (cutoff:3.500A) Processing helix chain 'J' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP J 120 " --> pdb=" O CYS J 116 " (cutoff:3.500A) Processing helix chain 'J' and resid 122 through 132 removed outlier: 4.057A pdb=" N GLN J 128 " --> pdb=" O ALA J 124 " (cutoff:3.500A) Processing helix chain 'J' and resid 407 through 411 Processing helix chain 'J' and resid 541 through 545 Processing helix chain 'K' and resid 93 through 97 removed outlier: 4.384A pdb=" N ILE K 97 " --> pdb=" O ARG K 94 " (cutoff:3.500A) Processing helix chain 'K' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP K 120 " --> pdb=" O CYS K 116 " (cutoff:3.500A) Processing helix chain 'K' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN K 128 " --> pdb=" O ALA K 124 " (cutoff:3.500A) Processing helix chain 'K' and resid 407 through 411 Processing helix chain 'K' and resid 541 through 545 Processing helix chain 'L' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE L 97 " --> pdb=" O ARG L 94 " (cutoff:3.500A) Processing helix chain 'L' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP L 120 " --> pdb=" O CYS L 116 " (cutoff:3.500A) Processing helix chain 'L' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN L 128 " --> pdb=" O ALA L 124 " (cutoff:3.500A) Processing helix chain 'L' and resid 407 through 411 Processing helix chain 'L' and resid 541 through 545 Processing helix chain 'M' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE M 97 " --> pdb=" O ARG M 94 " (cutoff:3.500A) Processing helix chain 'M' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP M 120 " --> pdb=" O CYS M 116 " (cutoff:3.500A) Processing helix chain 'M' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN M 128 " --> pdb=" O ALA M 124 " (cutoff:3.500A) Processing helix chain 'M' and resid 407 through 411 Processing helix chain 'M' and resid 541 through 545 Processing helix chain 'N' and resid 93 through 97 removed outlier: 4.384A pdb=" N ILE N 97 " --> pdb=" O ARG N 94 " (cutoff:3.500A) Processing helix chain 'N' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP N 120 " --> pdb=" O CYS N 116 " (cutoff:3.500A) Processing helix chain 'N' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN N 128 " --> pdb=" O ALA N 124 " (cutoff:3.500A) Processing helix chain 'N' and resid 407 through 411 Processing helix chain 'N' and resid 541 through 545 Processing helix chain 'O' and resid 93 through 97 removed outlier: 4.384A pdb=" N ILE O 97 " --> pdb=" O ARG O 94 " (cutoff:3.500A) Processing helix chain 'O' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP O 120 " --> pdb=" O CYS O 116 " (cutoff:3.500A) Processing helix chain 'O' and resid 122 through 132 removed outlier: 4.057A pdb=" N GLN O 128 " --> pdb=" O ALA O 124 " (cutoff:3.500A) Processing helix chain 'O' and resid 407 through 411 Processing helix chain 'O' and resid 541 through 545 Processing helix chain 'P' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE P 97 " --> pdb=" O ARG P 94 " (cutoff:3.500A) Processing helix chain 'P' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP P 120 " --> pdb=" O CYS P 116 " (cutoff:3.500A) Processing helix chain 'P' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN P 128 " --> pdb=" O ALA P 124 " (cutoff:3.500A) Processing helix chain 'P' and resid 407 through 411 Processing helix chain 'P' and resid 541 through 545 Processing helix chain 'Q' and resid 93 through 97 removed outlier: 4.384A pdb=" N ILE Q 97 " --> pdb=" O ARG Q 94 " (cutoff:3.500A) Processing helix chain 'Q' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP Q 120 " --> pdb=" O CYS Q 116 " (cutoff:3.500A) Processing helix chain 'Q' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN Q 128 " --> pdb=" O ALA Q 124 " (cutoff:3.500A) Processing helix chain 'Q' and resid 407 through 411 Processing helix chain 'Q' and resid 541 through 545 Processing helix chain 'R' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE R 97 " --> pdb=" O ARG R 94 " (cutoff:3.500A) Processing helix chain 'R' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP R 120 " --> pdb=" O CYS R 116 " (cutoff:3.500A) Processing helix chain 'R' and resid 122 through 132 removed outlier: 4.057A pdb=" N GLN R 128 " --> pdb=" O ALA R 124 " (cutoff:3.500A) Processing helix chain 'R' and resid 407 through 411 Processing helix chain 'R' and resid 541 through 545 Processing helix chain 'S' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE S 97 " --> pdb=" O ARG S 94 " (cutoff:3.500A) Processing helix chain 'S' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP S 120 " --> pdb=" O CYS S 116 " (cutoff:3.500A) Processing helix chain 'S' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN S 128 " --> pdb=" O ALA S 124 " (cutoff:3.500A) Processing helix chain 'S' and resid 407 through 411 Processing helix chain 'S' and resid 541 through 545 Processing helix chain 'T' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE T 97 " --> pdb=" O ARG T 94 " (cutoff:3.500A) Processing helix chain 'T' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP T 120 " --> pdb=" O CYS T 116 " (cutoff:3.500A) Processing helix chain 'T' and resid 122 through 132 removed outlier: 4.057A pdb=" N GLN T 128 " --> pdb=" O ALA T 124 " (cutoff:3.500A) Processing helix chain 'T' and resid 407 through 411 Processing helix chain 'T' and resid 541 through 545 Processing helix chain 'U' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE U 97 " --> pdb=" O ARG U 94 " (cutoff:3.500A) Processing helix chain 'U' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP U 120 " --> pdb=" O CYS U 116 " (cutoff:3.500A) Processing helix chain 'U' and resid 122 through 132 removed outlier: 4.057A pdb=" N GLN U 128 " --> pdb=" O ALA U 124 " (cutoff:3.500A) Processing helix chain 'U' and resid 407 through 411 Processing helix chain 'U' and resid 541 through 545 Processing helix chain 'V' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE V 97 " --> pdb=" O ARG V 94 " (cutoff:3.500A) Processing helix chain 'V' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP V 120 " --> pdb=" O CYS V 116 " (cutoff:3.500A) Processing helix chain 'V' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN V 128 " --> pdb=" O ALA V 124 " (cutoff:3.500A) Processing helix chain 'V' and resid 407 through 411 Processing helix chain 'V' and resid 541 through 545 Processing helix chain 'W' and resid 93 through 97 removed outlier: 4.384A pdb=" N ILE W 97 " --> pdb=" O ARG W 94 " (cutoff:3.500A) Processing helix chain 'W' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP W 120 " --> pdb=" O CYS W 116 " (cutoff:3.500A) Processing helix chain 'W' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN W 128 " --> pdb=" O ALA W 124 " (cutoff:3.500A) Processing helix chain 'W' and resid 407 through 411 Processing helix chain 'W' and resid 541 through 545 Processing helix chain 'X' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE X 97 " --> pdb=" O ARG X 94 " (cutoff:3.500A) Processing helix chain 'X' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP X 120 " --> pdb=" O CYS X 116 " (cutoff:3.500A) Processing helix chain 'X' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN X 128 " --> pdb=" O ALA X 124 " (cutoff:3.500A) Processing helix chain 'X' and resid 407 through 411 Processing helix chain 'X' and resid 541 through 545 Processing helix chain 'Y' and resid 93 through 97 removed outlier: 4.384A pdb=" N ILE Y 97 " --> pdb=" O ARG Y 94 " (cutoff:3.500A) Processing helix chain 'Y' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP Y 120 " --> pdb=" O CYS Y 116 " (cutoff:3.500A) Processing helix chain 'Y' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN Y 128 " --> pdb=" O ALA Y 124 " (cutoff:3.500A) Processing helix chain 'Y' and resid 407 through 411 Processing helix chain 'Y' and resid 541 through 545 Processing helix chain 'Z' and resid 93 through 97 removed outlier: 4.384A pdb=" N ILE Z 97 " --> pdb=" O ARG Z 94 " (cutoff:3.500A) Processing helix chain 'Z' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP Z 120 " --> pdb=" O CYS Z 116 " (cutoff:3.500A) Processing helix chain 'Z' and resid 122 through 132 removed outlier: 4.057A pdb=" N GLN Z 128 " --> pdb=" O ALA Z 124 " (cutoff:3.500A) Processing helix chain 'Z' and resid 407 through 411 Processing helix chain 'Z' and resid 541 through 545 Processing helix chain '0' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE 0 97 " --> pdb=" O ARG 0 94 " (cutoff:3.500A) Processing helix chain '0' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP 0 120 " --> pdb=" O CYS 0 116 " (cutoff:3.500A) Processing helix chain '0' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN 0 128 " --> pdb=" O ALA 0 124 " (cutoff:3.500A) Processing helix chain '0' and resid 407 through 411 Processing helix chain '0' and resid 541 through 545 Processing helix chain '1' and resid 93 through 97 removed outlier: 4.384A pdb=" N ILE 1 97 " --> pdb=" O ARG 1 94 " (cutoff:3.500A) Processing helix chain '1' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP 1 120 " --> pdb=" O CYS 1 116 " (cutoff:3.500A) Processing helix chain '1' and resid 122 through 132 removed outlier: 4.057A pdb=" N GLN 1 128 " --> pdb=" O ALA 1 124 " (cutoff:3.500A) Processing helix chain '1' and resid 407 through 411 Processing helix chain '1' and resid 541 through 545 Processing helix chain '2' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE 2 97 " --> pdb=" O ARG 2 94 " (cutoff:3.500A) Processing helix chain '2' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP 2 120 " --> pdb=" O CYS 2 116 " (cutoff:3.500A) Processing helix chain '2' and resid 122 through 132 removed outlier: 4.057A pdb=" N GLN 2 128 " --> pdb=" O ALA 2 124 " (cutoff:3.500A) Processing helix chain '2' and resid 407 through 411 Processing helix chain '2' and resid 541 through 545 Processing helix chain '3' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE 3 97 " --> pdb=" O ARG 3 94 " (cutoff:3.500A) Processing helix chain '3' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP 3 120 " --> pdb=" O CYS 3 116 " (cutoff:3.500A) Processing helix chain '3' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN 3 128 " --> pdb=" O ALA 3 124 " (cutoff:3.500A) Processing helix chain '3' and resid 407 through 411 Processing helix chain '3' and resid 541 through 545 Processing helix chain '4' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE 4 97 " --> pdb=" O ARG 4 94 " (cutoff:3.500A) Processing helix chain '4' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP 4 120 " --> pdb=" O CYS 4 116 " (cutoff:3.500A) Processing helix chain '4' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN 4 128 " --> pdb=" O ALA 4 124 " (cutoff:3.500A) Processing helix chain '4' and resid 407 through 411 Processing helix chain '4' and resid 541 through 545 Processing helix chain '5' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE 5 97 " --> pdb=" O ARG 5 94 " (cutoff:3.500A) Processing helix chain '5' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP 5 120 " --> pdb=" O CYS 5 116 " (cutoff:3.500A) Processing helix chain '5' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN 5 128 " --> pdb=" O ALA 5 124 " (cutoff:3.500A) Processing helix chain '5' and resid 407 through 411 Processing helix chain '5' and resid 541 through 545 Processing helix chain 'a' and resid 93 through 97 removed outlier: 4.384A pdb=" N ILE a 97 " --> pdb=" O ARG a 94 " (cutoff:3.500A) Processing helix chain 'a' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP a 120 " --> pdb=" O CYS a 116 " (cutoff:3.500A) Processing helix chain 'a' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN a 128 " --> pdb=" O ALA a 124 " (cutoff:3.500A) Processing helix chain 'a' and resid 407 through 411 Processing helix chain 'a' and resid 541 through 545 Processing helix chain 'b' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE b 97 " --> pdb=" O ARG b 94 " (cutoff:3.500A) Processing helix chain 'b' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP b 120 " --> pdb=" O CYS b 116 " (cutoff:3.500A) Processing helix chain 'b' and resid 122 through 132 removed outlier: 4.057A pdb=" N GLN b 128 " --> pdb=" O ALA b 124 " (cutoff:3.500A) Processing helix chain 'b' and resid 407 through 411 Processing helix chain 'b' and resid 541 through 545 Processing helix chain 'c' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE c 97 " --> pdb=" O ARG c 94 " (cutoff:3.500A) Processing helix chain 'c' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP c 120 " --> pdb=" O CYS c 116 " (cutoff:3.500A) Processing helix chain 'c' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN c 128 " --> pdb=" O ALA c 124 " (cutoff:3.500A) Processing helix chain 'c' and resid 407 through 411 Processing helix chain 'c' and resid 541 through 545 Processing helix chain 'd' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE d 97 " --> pdb=" O ARG d 94 " (cutoff:3.500A) Processing helix chain 'd' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP d 120 " --> pdb=" O CYS d 116 " (cutoff:3.500A) Processing helix chain 'd' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN d 128 " --> pdb=" O ALA d 124 " (cutoff:3.500A) Processing helix chain 'd' and resid 407 through 411 Processing helix chain 'd' and resid 541 through 545 Processing helix chain 'e' and resid 93 through 97 removed outlier: 4.384A pdb=" N ILE e 97 " --> pdb=" O ARG e 94 " (cutoff:3.500A) Processing helix chain 'e' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP e 120 " --> pdb=" O CYS e 116 " (cutoff:3.500A) Processing helix chain 'e' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN e 128 " --> pdb=" O ALA e 124 " (cutoff:3.500A) Processing helix chain 'e' and resid 407 through 411 Processing helix chain 'e' and resid 541 through 545 Processing helix chain 'f' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE f 97 " --> pdb=" O ARG f 94 " (cutoff:3.500A) Processing helix chain 'f' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP f 120 " --> pdb=" O CYS f 116 " (cutoff:3.500A) Processing helix chain 'f' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN f 128 " --> pdb=" O ALA f 124 " (cutoff:3.500A) Processing helix chain 'f' and resid 407 through 411 Processing helix chain 'f' and resid 541 through 545 Processing helix chain 'g' and resid 93 through 97 removed outlier: 4.384A pdb=" N ILE g 97 " --> pdb=" O ARG g 94 " (cutoff:3.500A) Processing helix chain 'g' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP g 120 " --> pdb=" O CYS g 116 " (cutoff:3.500A) Processing helix chain 'g' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN g 128 " --> pdb=" O ALA g 124 " (cutoff:3.500A) Processing helix chain 'g' and resid 407 through 411 Processing helix chain 'g' and resid 541 through 545 Processing helix chain 'h' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE h 97 " --> pdb=" O ARG h 94 " (cutoff:3.500A) Processing helix chain 'h' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP h 120 " --> pdb=" O CYS h 116 " (cutoff:3.500A) Processing helix chain 'h' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN h 128 " --> pdb=" O ALA h 124 " (cutoff:3.500A) Processing helix chain 'h' and resid 407 through 411 Processing helix chain 'h' and resid 541 through 545 Processing helix chain 'i' and resid 93 through 97 removed outlier: 4.384A pdb=" N ILE i 97 " --> pdb=" O ARG i 94 " (cutoff:3.500A) Processing helix chain 'i' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP i 120 " --> pdb=" O CYS i 116 " (cutoff:3.500A) Processing helix chain 'i' and resid 122 through 132 removed outlier: 4.057A pdb=" N GLN i 128 " --> pdb=" O ALA i 124 " (cutoff:3.500A) Processing helix chain 'i' and resid 407 through 411 Processing helix chain 'i' and resid 541 through 545 Processing helix chain 'j' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE j 97 " --> pdb=" O ARG j 94 " (cutoff:3.500A) Processing helix chain 'j' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP j 120 " --> pdb=" O CYS j 116 " (cutoff:3.500A) Processing helix chain 'j' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN j 128 " --> pdb=" O ALA j 124 " (cutoff:3.500A) Processing helix chain 'j' and resid 407 through 411 Processing helix chain 'j' and resid 541 through 545 Processing helix chain 'k' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE k 97 " --> pdb=" O ARG k 94 " (cutoff:3.500A) Processing helix chain 'k' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP k 120 " --> pdb=" O CYS k 116 " (cutoff:3.500A) Processing helix chain 'k' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN k 128 " --> pdb=" O ALA k 124 " (cutoff:3.500A) Processing helix chain 'k' and resid 407 through 411 Processing helix chain 'k' and resid 541 through 545 Processing helix chain 'l' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE l 97 " --> pdb=" O ARG l 94 " (cutoff:3.500A) Processing helix chain 'l' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP l 120 " --> pdb=" O CYS l 116 " (cutoff:3.500A) Processing helix chain 'l' and resid 122 through 132 removed outlier: 4.057A pdb=" N GLN l 128 " --> pdb=" O ALA l 124 " (cutoff:3.500A) Processing helix chain 'l' and resid 407 through 411 Processing helix chain 'l' and resid 541 through 545 Processing helix chain 'm' and resid 93 through 97 removed outlier: 4.384A pdb=" N ILE m 97 " --> pdb=" O ARG m 94 " (cutoff:3.500A) Processing helix chain 'm' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP m 120 " --> pdb=" O CYS m 116 " (cutoff:3.500A) Processing helix chain 'm' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN m 128 " --> pdb=" O ALA m 124 " (cutoff:3.500A) Processing helix chain 'm' and resid 407 through 411 Processing helix chain 'm' and resid 541 through 545 Processing helix chain 'n' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE n 97 " --> pdb=" O ARG n 94 " (cutoff:3.500A) Processing helix chain 'n' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP n 120 " --> pdb=" O CYS n 116 " (cutoff:3.500A) Processing helix chain 'n' and resid 122 through 132 removed outlier: 4.057A pdb=" N GLN n 128 " --> pdb=" O ALA n 124 " (cutoff:3.500A) Processing helix chain 'n' and resid 407 through 411 Processing helix chain 'n' and resid 541 through 545 Processing helix chain 'o' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE o 97 " --> pdb=" O ARG o 94 " (cutoff:3.500A) Processing helix chain 'o' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP o 120 " --> pdb=" O CYS o 116 " (cutoff:3.500A) Processing helix chain 'o' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN o 128 " --> pdb=" O ALA o 124 " (cutoff:3.500A) Processing helix chain 'o' and resid 407 through 411 Processing helix chain 'o' and resid 541 through 545 Processing helix chain 'p' and resid 93 through 97 removed outlier: 4.384A pdb=" N ILE p 97 " --> pdb=" O ARG p 94 " (cutoff:3.500A) Processing helix chain 'p' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP p 120 " --> pdb=" O CYS p 116 " (cutoff:3.500A) Processing helix chain 'p' and resid 122 through 132 removed outlier: 4.057A pdb=" N GLN p 128 " --> pdb=" O ALA p 124 " (cutoff:3.500A) Processing helix chain 'p' and resid 407 through 411 Processing helix chain 'p' and resid 541 through 545 Processing helix chain 'q' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE q 97 " --> pdb=" O ARG q 94 " (cutoff:3.500A) Processing helix chain 'q' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP q 120 " --> pdb=" O CYS q 116 " (cutoff:3.500A) Processing helix chain 'q' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN q 128 " --> pdb=" O ALA q 124 " (cutoff:3.500A) Processing helix chain 'q' and resid 407 through 411 Processing helix chain 'q' and resid 541 through 545 Processing helix chain 'r' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE r 97 " --> pdb=" O ARG r 94 " (cutoff:3.500A) Processing helix chain 'r' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP r 120 " --> pdb=" O CYS r 116 " (cutoff:3.500A) Processing helix chain 'r' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN r 128 " --> pdb=" O ALA r 124 " (cutoff:3.500A) Processing helix chain 'r' and resid 407 through 411 Processing helix chain 'r' and resid 541 through 545 Processing helix chain 's' and resid 93 through 97 removed outlier: 4.384A pdb=" N ILE s 97 " --> pdb=" O ARG s 94 " (cutoff:3.500A) Processing helix chain 's' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP s 120 " --> pdb=" O CYS s 116 " (cutoff:3.500A) Processing helix chain 's' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN s 128 " --> pdb=" O ALA s 124 " (cutoff:3.500A) Processing helix chain 's' and resid 407 through 411 Processing helix chain 's' and resid 541 through 545 Processing helix chain 't' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE t 97 " --> pdb=" O ARG t 94 " (cutoff:3.500A) Processing helix chain 't' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP t 120 " --> pdb=" O CYS t 116 " (cutoff:3.500A) Processing helix chain 't' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN t 128 " --> pdb=" O ALA t 124 " (cutoff:3.500A) Processing helix chain 't' and resid 407 through 411 Processing helix chain 't' and resid 541 through 545 Processing helix chain 'u' and resid 93 through 97 removed outlier: 4.384A pdb=" N ILE u 97 " --> pdb=" O ARG u 94 " (cutoff:3.500A) Processing helix chain 'u' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP u 120 " --> pdb=" O CYS u 116 " (cutoff:3.500A) Processing helix chain 'u' and resid 122 through 132 removed outlier: 4.057A pdb=" N GLN u 128 " --> pdb=" O ALA u 124 " (cutoff:3.500A) Processing helix chain 'u' and resid 407 through 411 Processing helix chain 'u' and resid 541 through 545 Processing helix chain 'v' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE v 97 " --> pdb=" O ARG v 94 " (cutoff:3.500A) Processing helix chain 'v' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP v 120 " --> pdb=" O CYS v 116 " (cutoff:3.500A) Processing helix chain 'v' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN v 128 " --> pdb=" O ALA v 124 " (cutoff:3.500A) Processing helix chain 'v' and resid 407 through 411 Processing helix chain 'v' and resid 541 through 545 Processing helix chain 'w' and resid 93 through 97 removed outlier: 4.384A pdb=" N ILE w 97 " --> pdb=" O ARG w 94 " (cutoff:3.500A) Processing helix chain 'w' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP w 120 " --> pdb=" O CYS w 116 " (cutoff:3.500A) Processing helix chain 'w' and resid 122 through 132 removed outlier: 4.057A pdb=" N GLN w 128 " --> pdb=" O ALA w 124 " (cutoff:3.500A) Processing helix chain 'w' and resid 407 through 411 Processing helix chain 'w' and resid 541 through 545 Processing helix chain 'x' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE x 97 " --> pdb=" O ARG x 94 " (cutoff:3.500A) Processing helix chain 'x' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP x 120 " --> pdb=" O CYS x 116 " (cutoff:3.500A) Processing helix chain 'x' and resid 122 through 132 removed outlier: 4.057A pdb=" N GLN x 128 " --> pdb=" O ALA x 124 " (cutoff:3.500A) Processing helix chain 'x' and resid 407 through 411 Processing helix chain 'x' and resid 541 through 545 Processing helix chain 'y' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE y 97 " --> pdb=" O ARG y 94 " (cutoff:3.500A) Processing helix chain 'y' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP y 120 " --> pdb=" O CYS y 116 " (cutoff:3.500A) Processing helix chain 'y' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN y 128 " --> pdb=" O ALA y 124 " (cutoff:3.500A) Processing helix chain 'y' and resid 407 through 411 Processing helix chain 'y' and resid 541 through 545 Processing helix chain 'z' and resid 93 through 97 removed outlier: 4.385A pdb=" N ILE z 97 " --> pdb=" O ARG z 94 " (cutoff:3.500A) Processing helix chain 'z' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP z 120 " --> pdb=" O CYS z 116 " (cutoff:3.500A) Processing helix chain 'z' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN z 128 " --> pdb=" O ALA z 124 " (cutoff:3.500A) Processing helix chain 'z' and resid 407 through 411 Processing helix chain 'z' and resid 541 through 545 Processing helix chain '6' and resid 93 through 97 removed outlier: 4.384A pdb=" N ILE 6 97 " --> pdb=" O ARG 6 94 " (cutoff:3.500A) Processing helix chain '6' and resid 116 through 121 removed outlier: 4.390A pdb=" N TRP 6 120 " --> pdb=" O CYS 6 116 " (cutoff:3.500A) Processing helix chain '6' and resid 122 through 132 removed outlier: 4.057A pdb=" N GLN 6 128 " --> pdb=" O ALA 6 124 " (cutoff:3.500A) Processing helix chain '6' and resid 407 through 411 Processing helix chain '6' and resid 541 through 545 Processing helix chain '7' and resid 93 through 97 removed outlier: 4.384A pdb=" N ILE 7 97 " --> pdb=" O ARG 7 94 " (cutoff:3.500A) Processing helix chain '7' and resid 116 through 121 removed outlier: 4.391A pdb=" N TRP 7 120 " --> pdb=" O CYS 7 116 " (cutoff:3.500A) Processing helix chain '7' and resid 122 through 132 removed outlier: 4.056A pdb=" N GLN 7 128 " --> pdb=" O ALA 7 124 " (cutoff:3.500A) Processing helix chain '7' and resid 407 through 411 Processing helix chain '7' and resid 541 through 545 Processing sheet with id=AA1, first strand: chain 'A' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU E 482 " --> pdb=" O LEU E 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU E 486 " --> pdb=" O PRO E 108 " (cutoff:3.500A) Processing sheet with id=AA2, first strand: chain 'A' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU E 482 " --> pdb=" O LEU E 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU E 486 " --> pdb=" O PRO E 108 " (cutoff:3.500A) removed outlier: 7.599A pdb=" N THR E 107 " --> pdb=" O TYR E 211 " (cutoff:3.500A) removed outlier: 8.001A pdb=" N TYR E 211 " --> pdb=" O THR E 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP E 109 " --> pdb=" O TYR E 209 " (cutoff:3.500A) Processing sheet with id=AA3, first strand: chain 'A' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP A 511 " --> pdb=" O ILE A 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE A 145 " --> pdb=" O TRP A 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER A 513 " --> pdb=" O GLN A 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN A 143 " --> pdb=" O SER A 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS A 515 " --> pdb=" O PHE A 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE A 141 " --> pdb=" O LYS A 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE A 517 " --> pdb=" O SER A 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU A 135 " --> pdb=" O LYS A 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER A 139 " --> pdb=" O ILE A 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE A 268 " --> pdb=" O SER A 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE A 141 " --> pdb=" O LYS A 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS A 266 " --> pdb=" O PHE A 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN A 143 " --> pdb=" O SER A 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER A 264 " --> pdb=" O GLN A 143 " (cutoff:3.500A) Processing sheet with id=AA4, first strand: chain 'A' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN A 167 " --> pdb=" O THR A 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP A 511 " --> pdb=" O ILE A 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE A 145 " --> pdb=" O TRP A 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER A 513 " --> pdb=" O GLN A 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN A 143 " --> pdb=" O SER A 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS A 515 " --> pdb=" O PHE A 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE A 141 " --> pdb=" O LYS A 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE A 517 " --> pdb=" O SER A 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU A 135 " --> pdb=" O LYS A 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE A 136 " --> pdb=" O ALA A 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA A 274 " --> pdb=" O ILE A 136 " (cutoff:3.500A) Processing sheet with id=AA5, first strand: chain 'A' and resid 75 through 78 removed outlier: 7.599A pdb=" N THR A 107 " --> pdb=" O TYR A 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR A 211 " --> pdb=" O THR A 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP A 109 " --> pdb=" O TYR A 209 " (cutoff:3.500A) Processing sheet with id=AA6, first strand: chain 'A' and resid 75 through 78 removed outlier: 6.448A pdb=" N LEU A 486 " --> pdb=" O PRO A 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEU A 482 " --> pdb=" O LEU A 112 " (cutoff:3.500A) Processing sheet with id=AA7, first strand: chain 'A' and resid 155 through 157 Processing sheet with id=AA8, first strand: chain 'A' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP A 220 " --> pdb=" O TRP A 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP A 230 " --> pdb=" O ASP A 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN A 222 " --> pdb=" O ASN A 228 " (cutoff:3.500A) Processing sheet with id=AA9, first strand: chain 'A' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR A 278 " --> pdb=" O ASN A 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AA9 Processing sheet with id=AB1, first strand: chain 'A' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS A 330 " --> pdb=" O ALA A 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=AB1 Processing sheet with id=AB2, first strand: chain 'A' and resid 348 through 349 removed outlier: 3.608A pdb=" N HIS I 413 " --> pdb=" O TRP I 428 " (cutoff:3.500A) Processing sheet with id=AB3, first strand: chain 'A' and resid 427 through 428 removed outlier: 3.607A pdb=" N HIS A 413 " --> pdb=" O TRP A 428 " (cutoff:3.500A) Processing sheet with id=AB4, first strand: chain 'A' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY A 456 " --> pdb=" O LEU A 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=AB4 Processing sheet with id=AB5, first strand: chain 'B' and resid 45 through 49 removed outlier: 6.811A pdb=" N TRP B 511 " --> pdb=" O ILE B 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE B 145 " --> pdb=" O TRP B 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER B 513 " --> pdb=" O GLN B 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN B 143 " --> pdb=" O SER B 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS B 515 " --> pdb=" O PHE B 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE B 141 " --> pdb=" O LYS B 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE B 517 " --> pdb=" O SER B 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU B 135 " --> pdb=" O LYS B 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER B 139 " --> pdb=" O ILE B 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE B 268 " --> pdb=" O SER B 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE B 141 " --> pdb=" O LYS B 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS B 266 " --> pdb=" O PHE B 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN B 143 " --> pdb=" O SER B 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER B 264 " --> pdb=" O GLN B 143 " (cutoff:3.500A) Processing sheet with id=AB6, first strand: chain 'B' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN B 167 " --> pdb=" O THR B 152 " (cutoff:3.500A) removed outlier: 6.811A pdb=" N TRP B 511 " --> pdb=" O ILE B 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE B 145 " --> pdb=" O TRP B 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER B 513 " --> pdb=" O GLN B 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN B 143 " --> pdb=" O SER B 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS B 515 " --> pdb=" O PHE B 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE B 141 " --> pdb=" O LYS B 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE B 517 " --> pdb=" O SER B 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU B 135 " --> pdb=" O LYS B 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE B 136 " --> pdb=" O ALA B 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA B 274 " --> pdb=" O ILE B 136 " (cutoff:3.500A) Processing sheet with id=AB7, first strand: chain 'B' and resid 75 through 78 removed outlier: 7.599A pdb=" N THR B 107 " --> pdb=" O TYR B 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR B 211 " --> pdb=" O THR B 107 " (cutoff:3.500A) removed outlier: 5.012A pdb=" N TRP B 109 " --> pdb=" O TYR B 209 " (cutoff:3.500A) Processing sheet with id=AB8, first strand: chain 'B' and resid 75 through 78 removed outlier: 6.447A pdb=" N LEU B 486 " --> pdb=" O PRO B 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEU B 482 " --> pdb=" O LEU B 112 " (cutoff:3.500A) Processing sheet with id=AB9, first strand: chain 'B' and resid 155 through 157 Processing sheet with id=AC1, first strand: chain 'B' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP B 220 " --> pdb=" O TRP B 230 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N TRP B 230 " --> pdb=" O ASP B 220 " (cutoff:3.500A) removed outlier: 6.224A pdb=" N ASN B 222 " --> pdb=" O ASN B 228 " (cutoff:3.500A) Processing sheet with id=AC2, first strand: chain 'B' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR B 278 " --> pdb=" O ASN B 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AC2 Processing sheet with id=AC3, first strand: chain 'B' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS B 330 " --> pdb=" O ALA B 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=AC3 Processing sheet with id=AC4, first strand: chain 'B' and resid 348 through 349 removed outlier: 3.608A pdb=" N HIS L 413 " --> pdb=" O TRP L 428 " (cutoff:3.500A) Processing sheet with id=AC5, first strand: chain 'B' and resid 427 through 428 removed outlier: 3.608A pdb=" N HIS B 413 " --> pdb=" O TRP B 428 " (cutoff:3.500A) Processing sheet with id=AC6, first strand: chain 'B' and resid 456 through 457 removed outlier: 7.071A pdb=" N GLY B 456 " --> pdb=" O LEU B 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=AC6 Processing sheet with id=AC7, first strand: chain 'C' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP C 511 " --> pdb=" O ILE C 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE C 145 " --> pdb=" O TRP C 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER C 513 " --> pdb=" O GLN C 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN C 143 " --> pdb=" O SER C 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS C 515 " --> pdb=" O PHE C 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE C 141 " --> pdb=" O LYS C 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE C 517 " --> pdb=" O SER C 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU C 135 " --> pdb=" O LYS C 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER C 139 " --> pdb=" O ILE C 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE C 268 " --> pdb=" O SER C 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE C 141 " --> pdb=" O LYS C 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS C 266 " --> pdb=" O PHE C 141 " (cutoff:3.500A) removed outlier: 4.692A pdb=" N GLN C 143 " --> pdb=" O SER C 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER C 264 " --> pdb=" O GLN C 143 " (cutoff:3.500A) Processing sheet with id=AC8, first strand: chain 'C' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN C 167 " --> pdb=" O THR C 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP C 511 " --> pdb=" O ILE C 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE C 145 " --> pdb=" O TRP C 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER C 513 " --> pdb=" O GLN C 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN C 143 " --> pdb=" O SER C 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS C 515 " --> pdb=" O PHE C 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE C 141 " --> pdb=" O LYS C 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE C 517 " --> pdb=" O SER C 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU C 135 " --> pdb=" O LYS C 521 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N ILE C 136 " --> pdb=" O ALA C 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA C 274 " --> pdb=" O ILE C 136 " (cutoff:3.500A) Processing sheet with id=AC9, first strand: chain 'C' and resid 75 through 78 removed outlier: 7.599A pdb=" N THR C 107 " --> pdb=" O TYR C 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR C 211 " --> pdb=" O THR C 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP C 109 " --> pdb=" O TYR C 209 " (cutoff:3.500A) Processing sheet with id=AD1, first strand: chain 'C' and resid 75 through 78 removed outlier: 6.448A pdb=" N LEU C 486 " --> pdb=" O PRO C 108 " (cutoff:3.500A) removed outlier: 4.248A pdb=" N LEU C 482 " --> pdb=" O LEU C 112 " (cutoff:3.500A) Processing sheet with id=AD2, first strand: chain 'C' and resid 155 through 157 Processing sheet with id=AD3, first strand: chain 'C' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP C 220 " --> pdb=" O TRP C 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP C 230 " --> pdb=" O ASP C 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN C 222 " --> pdb=" O ASN C 228 " (cutoff:3.500A) Processing sheet with id=AD4, first strand: chain 'C' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR C 278 " --> pdb=" O ASN C 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AD4 Processing sheet with id=AD5, first strand: chain 'C' and resid 330 through 331 removed outlier: 6.659A pdb=" N HIS C 330 " --> pdb=" O ALA C 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=AD5 Processing sheet with id=AD6, first strand: chain 'C' and resid 348 through 349 removed outlier: 3.607A pdb=" N HIS M 413 " --> pdb=" O TRP M 428 " (cutoff:3.500A) Processing sheet with id=AD7, first strand: chain 'C' and resid 427 through 428 removed outlier: 3.608A pdb=" N HIS C 413 " --> pdb=" O TRP C 428 " (cutoff:3.500A) Processing sheet with id=AD8, first strand: chain 'C' and resid 456 through 457 removed outlier: 7.071A pdb=" N GLY C 456 " --> pdb=" O LEU C 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=AD8 Processing sheet with id=AD9, first strand: chain 'D' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP D 511 " --> pdb=" O ILE D 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE D 145 " --> pdb=" O TRP D 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER D 513 " --> pdb=" O GLN D 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN D 143 " --> pdb=" O SER D 513 " (cutoff:3.500A) removed outlier: 6.640A pdb=" N LYS D 515 " --> pdb=" O PHE D 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE D 141 " --> pdb=" O LYS D 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE D 517 " --> pdb=" O SER D 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU D 135 " --> pdb=" O LYS D 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER D 139 " --> pdb=" O ILE D 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE D 268 " --> pdb=" O SER D 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE D 141 " --> pdb=" O LYS D 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS D 266 " --> pdb=" O PHE D 141 " (cutoff:3.500A) removed outlier: 4.692A pdb=" N GLN D 143 " --> pdb=" O SER D 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER D 264 " --> pdb=" O GLN D 143 " (cutoff:3.500A) Processing sheet with id=AE1, first strand: chain 'D' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN D 167 " --> pdb=" O THR D 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP D 511 " --> pdb=" O ILE D 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE D 145 " --> pdb=" O TRP D 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER D 513 " --> pdb=" O GLN D 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN D 143 " --> pdb=" O SER D 513 " (cutoff:3.500A) removed outlier: 6.640A pdb=" N LYS D 515 " --> pdb=" O PHE D 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE D 141 " --> pdb=" O LYS D 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE D 517 " --> pdb=" O SER D 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU D 135 " --> pdb=" O LYS D 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE D 136 " --> pdb=" O ALA D 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA D 274 " --> pdb=" O ILE D 136 " (cutoff:3.500A) Processing sheet with id=AE2, first strand: chain 'D' and resid 75 through 78 removed outlier: 7.599A pdb=" N THR D 107 " --> pdb=" O TYR D 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR D 211 " --> pdb=" O THR D 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP D 109 " --> pdb=" O TYR D 209 " (cutoff:3.500A) Processing sheet with id=AE3, first strand: chain 'D' and resid 75 through 78 removed outlier: 6.447A pdb=" N LEU D 486 " --> pdb=" O PRO D 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEU D 482 " --> pdb=" O LEU D 112 " (cutoff:3.500A) Processing sheet with id=AE4, first strand: chain 'D' and resid 155 through 157 Processing sheet with id=AE5, first strand: chain 'D' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP D 220 " --> pdb=" O TRP D 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP D 230 " --> pdb=" O ASP D 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN D 222 " --> pdb=" O ASN D 228 " (cutoff:3.500A) Processing sheet with id=AE6, first strand: chain 'D' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR D 278 " --> pdb=" O ASN D 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AE6 Processing sheet with id=AE7, first strand: chain 'D' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS D 330 " --> pdb=" O ALA D 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=AE7 Processing sheet with id=AE8, first strand: chain 'D' and resid 348 through 349 removed outlier: 3.608A pdb=" N HIS P 413 " --> pdb=" O TRP P 428 " (cutoff:3.500A) Processing sheet with id=AE9, first strand: chain 'D' and resid 427 through 428 removed outlier: 3.608A pdb=" N HIS D 413 " --> pdb=" O TRP D 428 " (cutoff:3.500A) Processing sheet with id=AF1, first strand: chain 'D' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY D 456 " --> pdb=" O LEU D 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=AF1 Processing sheet with id=AF2, first strand: chain 'E' and resid 45 through 49 removed outlier: 6.809A pdb=" N TRP E 511 " --> pdb=" O ILE E 145 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N ILE E 145 " --> pdb=" O TRP E 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER E 513 " --> pdb=" O GLN E 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN E 143 " --> pdb=" O SER E 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS E 515 " --> pdb=" O PHE E 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE E 141 " --> pdb=" O LYS E 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE E 517 " --> pdb=" O SER E 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU E 135 " --> pdb=" O LYS E 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER E 139 " --> pdb=" O ILE E 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE E 268 " --> pdb=" O SER E 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE E 141 " --> pdb=" O LYS E 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS E 266 " --> pdb=" O PHE E 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN E 143 " --> pdb=" O SER E 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER E 264 " --> pdb=" O GLN E 143 " (cutoff:3.500A) Processing sheet with id=AF3, first strand: chain 'E' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN E 167 " --> pdb=" O THR E 152 " (cutoff:3.500A) removed outlier: 6.809A pdb=" N TRP E 511 " --> pdb=" O ILE E 145 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N ILE E 145 " --> pdb=" O TRP E 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER E 513 " --> pdb=" O GLN E 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN E 143 " --> pdb=" O SER E 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS E 515 " --> pdb=" O PHE E 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE E 141 " --> pdb=" O LYS E 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE E 517 " --> pdb=" O SER E 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU E 135 " --> pdb=" O LYS E 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE E 136 " --> pdb=" O ALA E 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA E 274 " --> pdb=" O ILE E 136 " (cutoff:3.500A) Processing sheet with id=AF4, first strand: chain 'E' and resid 155 through 157 Processing sheet with id=AF5, first strand: chain 'E' and resid 219 through 223 removed outlier: 6.509A pdb=" N ASP E 220 " --> pdb=" O TRP E 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP E 230 " --> pdb=" O ASP E 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN E 222 " --> pdb=" O ASN E 228 " (cutoff:3.500A) Processing sheet with id=AF6, first strand: chain 'E' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR E 278 " --> pdb=" O ASN E 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AF6 Processing sheet with id=AF7, first strand: chain 'E' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS E 330 " --> pdb=" O ALA E 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=AF7 Processing sheet with id=AF8, first strand: chain 'E' and resid 348 through 349 removed outlier: 3.608A pdb=" N HIS F 413 " --> pdb=" O TRP F 428 " (cutoff:3.500A) Processing sheet with id=AF9, first strand: chain 'E' and resid 427 through 428 removed outlier: 3.608A pdb=" N HIS E 413 " --> pdb=" O TRP E 428 " (cutoff:3.500A) Processing sheet with id=AG1, first strand: chain 'E' and resid 456 through 457 removed outlier: 7.071A pdb=" N GLY E 456 " --> pdb=" O LEU E 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=AG1 Processing sheet with id=AG2, first strand: chain 'F' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU G 482 " --> pdb=" O LEU G 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU G 486 " --> pdb=" O PRO G 108 " (cutoff:3.500A) Processing sheet with id=AG3, first strand: chain 'F' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU G 482 " --> pdb=" O LEU G 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU G 486 " --> pdb=" O PRO G 108 " (cutoff:3.500A) removed outlier: 7.598A pdb=" N THR G 107 " --> pdb=" O TYR G 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR G 211 " --> pdb=" O THR G 107 " (cutoff:3.500A) removed outlier: 5.012A pdb=" N TRP G 109 " --> pdb=" O TYR G 209 " (cutoff:3.500A) Processing sheet with id=AG4, first strand: chain 'F' and resid 45 through 49 removed outlier: 6.811A pdb=" N TRP F 511 " --> pdb=" O ILE F 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE F 145 " --> pdb=" O TRP F 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER F 513 " --> pdb=" O GLN F 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN F 143 " --> pdb=" O SER F 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS F 515 " --> pdb=" O PHE F 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE F 141 " --> pdb=" O LYS F 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE F 517 " --> pdb=" O SER F 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU F 135 " --> pdb=" O LYS F 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER F 139 " --> pdb=" O ILE F 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE F 268 " --> pdb=" O SER F 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE F 141 " --> pdb=" O LYS F 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS F 266 " --> pdb=" O PHE F 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN F 143 " --> pdb=" O SER F 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER F 264 " --> pdb=" O GLN F 143 " (cutoff:3.500A) Processing sheet with id=AG5, first strand: chain 'F' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN F 167 " --> pdb=" O THR F 152 " (cutoff:3.500A) removed outlier: 6.811A pdb=" N TRP F 511 " --> pdb=" O ILE F 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE F 145 " --> pdb=" O TRP F 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER F 513 " --> pdb=" O GLN F 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN F 143 " --> pdb=" O SER F 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS F 515 " --> pdb=" O PHE F 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE F 141 " --> pdb=" O LYS F 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE F 517 " --> pdb=" O SER F 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU F 135 " --> pdb=" O LYS F 521 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N ILE F 136 " --> pdb=" O ALA F 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA F 274 " --> pdb=" O ILE F 136 " (cutoff:3.500A) Processing sheet with id=AG6, first strand: chain 'F' and resid 75 through 78 removed outlier: 7.599A pdb=" N THR F 107 " --> pdb=" O TYR F 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR F 211 " --> pdb=" O THR F 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP F 109 " --> pdb=" O TYR F 209 " (cutoff:3.500A) Processing sheet with id=AG7, first strand: chain 'F' and resid 75 through 78 removed outlier: 6.448A pdb=" N LEU F 486 " --> pdb=" O PRO F 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEU F 482 " --> pdb=" O LEU F 112 " (cutoff:3.500A) Processing sheet with id=AG8, first strand: chain 'F' and resid 155 through 157 Processing sheet with id=AG9, first strand: chain 'F' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP F 220 " --> pdb=" O TRP F 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP F 230 " --> pdb=" O ASP F 220 " (cutoff:3.500A) removed outlier: 6.222A pdb=" N ASN F 222 " --> pdb=" O ASN F 228 " (cutoff:3.500A) Processing sheet with id=AH1, first strand: chain 'F' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR F 278 " --> pdb=" O ASN F 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AH1 Processing sheet with id=AH2, first strand: chain 'F' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS F 330 " --> pdb=" O ALA F 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=AH2 Processing sheet with id=AH3, first strand: chain 'F' and resid 348 through 349 removed outlier: 3.608A pdb=" N HIS Q 413 " --> pdb=" O TRP Q 428 " (cutoff:3.500A) Processing sheet with id=AH4, first strand: chain 'F' and resid 456 through 457 removed outlier: 7.071A pdb=" N GLY F 456 " --> pdb=" O LEU F 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=AH4 Processing sheet with id=AH5, first strand: chain 'G' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU W 482 " --> pdb=" O LEU W 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU W 486 " --> pdb=" O PRO W 108 " (cutoff:3.500A) Processing sheet with id=AH6, first strand: chain 'G' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU W 482 " --> pdb=" O LEU W 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU W 486 " --> pdb=" O PRO W 108 " (cutoff:3.500A) removed outlier: 7.598A pdb=" N THR W 107 " --> pdb=" O TYR W 211 " (cutoff:3.500A) removed outlier: 8.001A pdb=" N TYR W 211 " --> pdb=" O THR W 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP W 109 " --> pdb=" O TYR W 209 " (cutoff:3.500A) Processing sheet with id=AH7, first strand: chain 'G' and resid 45 through 49 removed outlier: 6.811A pdb=" N TRP G 511 " --> pdb=" O ILE G 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE G 145 " --> pdb=" O TRP G 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER G 513 " --> pdb=" O GLN G 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN G 143 " --> pdb=" O SER G 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS G 515 " --> pdb=" O PHE G 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE G 141 " --> pdb=" O LYS G 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE G 517 " --> pdb=" O SER G 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU G 135 " --> pdb=" O LYS G 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER G 139 " --> pdb=" O ILE G 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE G 268 " --> pdb=" O SER G 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE G 141 " --> pdb=" O LYS G 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS G 266 " --> pdb=" O PHE G 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN G 143 " --> pdb=" O SER G 264 " (cutoff:3.500A) removed outlier: 4.661A pdb=" N SER G 264 " --> pdb=" O GLN G 143 " (cutoff:3.500A) Processing sheet with id=AH8, first strand: chain 'G' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN G 167 " --> pdb=" O THR G 152 " (cutoff:3.500A) removed outlier: 6.811A pdb=" N TRP G 511 " --> pdb=" O ILE G 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE G 145 " --> pdb=" O TRP G 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER G 513 " --> pdb=" O GLN G 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN G 143 " --> pdb=" O SER G 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS G 515 " --> pdb=" O PHE G 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE G 141 " --> pdb=" O LYS G 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE G 517 " --> pdb=" O SER G 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU G 135 " --> pdb=" O LYS G 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE G 136 " --> pdb=" O ALA G 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA G 274 " --> pdb=" O ILE G 136 " (cutoff:3.500A) Processing sheet with id=AH9, first strand: chain 'G' and resid 155 through 157 Processing sheet with id=AI1, first strand: chain 'G' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP G 220 " --> pdb=" O TRP G 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP G 230 " --> pdb=" O ASP G 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN G 222 " --> pdb=" O ASN G 228 " (cutoff:3.500A) Processing sheet with id=AI2, first strand: chain 'G' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR G 278 " --> pdb=" O ASN G 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AI2 Processing sheet with id=AI3, first strand: chain 'G' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS G 330 " --> pdb=" O ALA G 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=AI3 Processing sheet with id=AI4, first strand: chain 'G' and resid 427 through 428 removed outlier: 3.608A pdb=" N HIS G 413 " --> pdb=" O TRP G 428 " (cutoff:3.500A) Processing sheet with id=AI5, first strand: chain 'G' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY G 456 " --> pdb=" O LEU G 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=AI5 Processing sheet with id=AI6, first strand: chain 'H' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU I 482 " --> pdb=" O LEU I 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU I 486 " --> pdb=" O PRO I 108 " (cutoff:3.500A) Processing sheet with id=AI7, first strand: chain 'H' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU I 482 " --> pdb=" O LEU I 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU I 486 " --> pdb=" O PRO I 108 " (cutoff:3.500A) removed outlier: 7.599A pdb=" N THR I 107 " --> pdb=" O TYR I 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR I 211 " --> pdb=" O THR I 107 " (cutoff:3.500A) removed outlier: 5.012A pdb=" N TRP I 109 " --> pdb=" O TYR I 209 " (cutoff:3.500A) Processing sheet with id=AI8, first strand: chain 'H' and resid 45 through 49 removed outlier: 6.811A pdb=" N TRP H 511 " --> pdb=" O ILE H 145 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N ILE H 145 " --> pdb=" O TRP H 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER H 513 " --> pdb=" O GLN H 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN H 143 " --> pdb=" O SER H 513 " (cutoff:3.500A) removed outlier: 6.640A pdb=" N LYS H 515 " --> pdb=" O PHE H 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE H 141 " --> pdb=" O LYS H 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE H 517 " --> pdb=" O SER H 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU H 135 " --> pdb=" O LYS H 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER H 139 " --> pdb=" O ILE H 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE H 268 " --> pdb=" O SER H 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE H 141 " --> pdb=" O LYS H 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS H 266 " --> pdb=" O PHE H 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN H 143 " --> pdb=" O SER H 264 " (cutoff:3.500A) removed outlier: 4.661A pdb=" N SER H 264 " --> pdb=" O GLN H 143 " (cutoff:3.500A) Processing sheet with id=AI9, first strand: chain 'H' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN H 167 " --> pdb=" O THR H 152 " (cutoff:3.500A) removed outlier: 6.811A pdb=" N TRP H 511 " --> pdb=" O ILE H 145 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N ILE H 145 " --> pdb=" O TRP H 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER H 513 " --> pdb=" O GLN H 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN H 143 " --> pdb=" O SER H 513 " (cutoff:3.500A) removed outlier: 6.640A pdb=" N LYS H 515 " --> pdb=" O PHE H 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE H 141 " --> pdb=" O LYS H 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE H 517 " --> pdb=" O SER H 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU H 135 " --> pdb=" O LYS H 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE H 136 " --> pdb=" O ALA H 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA H 274 " --> pdb=" O ILE H 136 " (cutoff:3.500A) Processing sheet with id=AJ1, first strand: chain 'H' and resid 75 through 78 removed outlier: 7.598A pdb=" N THR H 107 " --> pdb=" O TYR H 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR H 211 " --> pdb=" O THR H 107 " (cutoff:3.500A) removed outlier: 5.014A pdb=" N TRP H 109 " --> pdb=" O TYR H 209 " (cutoff:3.500A) Processing sheet with id=AJ2, first strand: chain 'H' and resid 75 through 78 removed outlier: 6.449A pdb=" N LEU H 486 " --> pdb=" O PRO H 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEU H 482 " --> pdb=" O LEU H 112 " (cutoff:3.500A) Processing sheet with id=AJ3, first strand: chain 'H' and resid 155 through 157 Processing sheet with id=AJ4, first strand: chain 'H' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP H 220 " --> pdb=" O TRP H 230 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N TRP H 230 " --> pdb=" O ASP H 220 " (cutoff:3.500A) removed outlier: 6.222A pdb=" N ASN H 222 " --> pdb=" O ASN H 228 " (cutoff:3.500A) Processing sheet with id=AJ5, first strand: chain 'H' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR H 278 " --> pdb=" O ASN H 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AJ5 Processing sheet with id=AJ6, first strand: chain 'H' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS H 330 " --> pdb=" O ALA H 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=AJ6 Processing sheet with id=AJ7, first strand: chain 'H' and resid 348 through 349 removed outlier: 3.608A pdb=" N HIS Y 413 " --> pdb=" O TRP Y 428 " (cutoff:3.500A) Processing sheet with id=AJ8, first strand: chain 'H' and resid 427 through 428 removed outlier: 3.608A pdb=" N HIS H 413 " --> pdb=" O TRP H 428 " (cutoff:3.500A) Processing sheet with id=AJ9, first strand: chain 'H' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY H 456 " --> pdb=" O LEU H 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=AJ9 Processing sheet with id=AK1, first strand: chain 'I' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU J 482 " --> pdb=" O LEU J 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU J 486 " --> pdb=" O PRO J 108 " (cutoff:3.500A) Processing sheet with id=AK2, first strand: chain 'I' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU J 482 " --> pdb=" O LEU J 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU J 486 " --> pdb=" O PRO J 108 " (cutoff:3.500A) removed outlier: 7.599A pdb=" N THR J 107 " --> pdb=" O TYR J 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR J 211 " --> pdb=" O THR J 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP J 109 " --> pdb=" O TYR J 209 " (cutoff:3.500A) Processing sheet with id=AK3, first strand: chain 'I' and resid 45 through 49 removed outlier: 6.809A pdb=" N TRP I 511 " --> pdb=" O ILE I 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE I 145 " --> pdb=" O TRP I 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER I 513 " --> pdb=" O GLN I 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN I 143 " --> pdb=" O SER I 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS I 515 " --> pdb=" O PHE I 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE I 141 " --> pdb=" O LYS I 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE I 517 " --> pdb=" O SER I 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU I 135 " --> pdb=" O LYS I 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER I 139 " --> pdb=" O ILE I 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE I 268 " --> pdb=" O SER I 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE I 141 " --> pdb=" O LYS I 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS I 266 " --> pdb=" O PHE I 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN I 143 " --> pdb=" O SER I 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER I 264 " --> pdb=" O GLN I 143 " (cutoff:3.500A) Processing sheet with id=AK4, first strand: chain 'I' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN I 167 " --> pdb=" O THR I 152 " (cutoff:3.500A) removed outlier: 6.809A pdb=" N TRP I 511 " --> pdb=" O ILE I 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE I 145 " --> pdb=" O TRP I 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER I 513 " --> pdb=" O GLN I 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN I 143 " --> pdb=" O SER I 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS I 515 " --> pdb=" O PHE I 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE I 141 " --> pdb=" O LYS I 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE I 517 " --> pdb=" O SER I 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU I 135 " --> pdb=" O LYS I 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE I 136 " --> pdb=" O ALA I 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA I 274 " --> pdb=" O ILE I 136 " (cutoff:3.500A) Processing sheet with id=AK5, first strand: chain 'I' and resid 155 through 157 Processing sheet with id=AK6, first strand: chain 'I' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP I 220 " --> pdb=" O TRP I 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP I 230 " --> pdb=" O ASP I 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN I 222 " --> pdb=" O ASN I 228 " (cutoff:3.500A) Processing sheet with id=AK7, first strand: chain 'I' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR I 278 " --> pdb=" O ASN I 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AK7 Processing sheet with id=AK8, first strand: chain 'I' and resid 330 through 331 removed outlier: 6.659A pdb=" N HIS I 330 " --> pdb=" O ALA I 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=AK8 Processing sheet with id=AK9, first strand: chain 'I' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY I 456 " --> pdb=" O LEU I 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=AK9 Processing sheet with id=AL1, first strand: chain 'J' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU 0 482 " --> pdb=" O LEU 0 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU 0 486 " --> pdb=" O PRO 0 108 " (cutoff:3.500A) Processing sheet with id=AL2, first strand: chain 'J' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU 0 482 " --> pdb=" O LEU 0 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU 0 486 " --> pdb=" O PRO 0 108 " (cutoff:3.500A) removed outlier: 7.598A pdb=" N THR 0 107 " --> pdb=" O TYR 0 211 " (cutoff:3.500A) removed outlier: 8.001A pdb=" N TYR 0 211 " --> pdb=" O THR 0 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP 0 109 " --> pdb=" O TYR 0 209 " (cutoff:3.500A) Processing sheet with id=AL3, first strand: chain 'J' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP J 511 " --> pdb=" O ILE J 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE J 145 " --> pdb=" O TRP J 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER J 513 " --> pdb=" O GLN J 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN J 143 " --> pdb=" O SER J 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS J 515 " --> pdb=" O PHE J 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE J 141 " --> pdb=" O LYS J 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE J 517 " --> pdb=" O SER J 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU J 135 " --> pdb=" O LYS J 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER J 139 " --> pdb=" O ILE J 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE J 268 " --> pdb=" O SER J 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE J 141 " --> pdb=" O LYS J 266 " (cutoff:3.500A) removed outlier: 4.840A pdb=" N LYS J 266 " --> pdb=" O PHE J 141 " (cutoff:3.500A) removed outlier: 4.690A pdb=" N GLN J 143 " --> pdb=" O SER J 264 " (cutoff:3.500A) removed outlier: 4.661A pdb=" N SER J 264 " --> pdb=" O GLN J 143 " (cutoff:3.500A) Processing sheet with id=AL4, first strand: chain 'J' and resid 167 through 168 removed outlier: 3.519A pdb=" N ASN J 167 " --> pdb=" O THR J 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP J 511 " --> pdb=" O ILE J 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE J 145 " --> pdb=" O TRP J 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER J 513 " --> pdb=" O GLN J 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN J 143 " --> pdb=" O SER J 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS J 515 " --> pdb=" O PHE J 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE J 141 " --> pdb=" O LYS J 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE J 517 " --> pdb=" O SER J 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU J 135 " --> pdb=" O LYS J 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE J 136 " --> pdb=" O ALA J 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA J 274 " --> pdb=" O ILE J 136 " (cutoff:3.500A) Processing sheet with id=AL5, first strand: chain 'J' and resid 155 through 157 Processing sheet with id=AL6, first strand: chain 'J' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP J 220 " --> pdb=" O TRP J 230 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N TRP J 230 " --> pdb=" O ASP J 220 " (cutoff:3.500A) removed outlier: 6.222A pdb=" N ASN J 222 " --> pdb=" O ASN J 228 " (cutoff:3.500A) Processing sheet with id=AL7, first strand: chain 'J' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR J 278 " --> pdb=" O ASN J 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AL7 Processing sheet with id=AL8, first strand: chain 'J' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS J 330 " --> pdb=" O ALA J 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=AL8 Processing sheet with id=AL9, first strand: chain 'J' and resid 427 through 428 removed outlier: 3.607A pdb=" N HIS J 413 " --> pdb=" O TRP J 428 " (cutoff:3.500A) Processing sheet with id=AM1, first strand: chain 'J' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY J 456 " --> pdb=" O LEU J 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=AM1 Processing sheet with id=AM2, first strand: chain 'K' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU L 482 " --> pdb=" O LEU L 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU L 486 " --> pdb=" O PRO L 108 " (cutoff:3.500A) Processing sheet with id=AM3, first strand: chain 'K' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU L 482 " --> pdb=" O LEU L 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU L 486 " --> pdb=" O PRO L 108 " (cutoff:3.500A) removed outlier: 7.599A pdb=" N THR L 107 " --> pdb=" O TYR L 211 " (cutoff:3.500A) removed outlier: 8.001A pdb=" N TYR L 211 " --> pdb=" O THR L 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP L 109 " --> pdb=" O TYR L 209 " (cutoff:3.500A) Processing sheet with id=AM4, first strand: chain 'K' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP K 511 " --> pdb=" O ILE K 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE K 145 " --> pdb=" O TRP K 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER K 513 " --> pdb=" O GLN K 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN K 143 " --> pdb=" O SER K 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS K 515 " --> pdb=" O PHE K 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE K 141 " --> pdb=" O LYS K 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE K 517 " --> pdb=" O SER K 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU K 135 " --> pdb=" O LYS K 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER K 139 " --> pdb=" O ILE K 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE K 268 " --> pdb=" O SER K 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE K 141 " --> pdb=" O LYS K 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS K 266 " --> pdb=" O PHE K 141 " (cutoff:3.500A) removed outlier: 4.692A pdb=" N GLN K 143 " --> pdb=" O SER K 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER K 264 " --> pdb=" O GLN K 143 " (cutoff:3.500A) Processing sheet with id=AM5, first strand: chain 'K' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN K 167 " --> pdb=" O THR K 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP K 511 " --> pdb=" O ILE K 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE K 145 " --> pdb=" O TRP K 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER K 513 " --> pdb=" O GLN K 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN K 143 " --> pdb=" O SER K 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS K 515 " --> pdb=" O PHE K 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE K 141 " --> pdb=" O LYS K 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE K 517 " --> pdb=" O SER K 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU K 135 " --> pdb=" O LYS K 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE K 136 " --> pdb=" O ALA K 274 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N ALA K 274 " --> pdb=" O ILE K 136 " (cutoff:3.500A) Processing sheet with id=AM6, first strand: chain 'K' and resid 75 through 78 removed outlier: 7.598A pdb=" N THR K 107 " --> pdb=" O TYR K 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR K 211 " --> pdb=" O THR K 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP K 109 " --> pdb=" O TYR K 209 " (cutoff:3.500A) Processing sheet with id=AM7, first strand: chain 'K' and resid 75 through 78 removed outlier: 6.447A pdb=" N LEU K 486 " --> pdb=" O PRO K 108 " (cutoff:3.500A) removed outlier: 4.248A pdb=" N LEU K 482 " --> pdb=" O LEU K 112 " (cutoff:3.500A) Processing sheet with id=AM8, first strand: chain 'K' and resid 155 through 157 Processing sheet with id=AM9, first strand: chain 'K' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP K 220 " --> pdb=" O TRP K 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP K 230 " --> pdb=" O ASP K 220 " (cutoff:3.500A) removed outlier: 6.222A pdb=" N ASN K 222 " --> pdb=" O ASN K 228 " (cutoff:3.500A) Processing sheet with id=AN1, first strand: chain 'K' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR K 278 " --> pdb=" O ASN K 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AN1 Processing sheet with id=AN2, first strand: chain 'K' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS K 330 " --> pdb=" O ALA K 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=AN2 Processing sheet with id=AN3, first strand: chain 'K' and resid 348 through 349 removed outlier: 3.608A pdb=" N HIS 7 413 " --> pdb=" O TRP 7 428 " (cutoff:3.500A) Processing sheet with id=AN4, first strand: chain 'K' and resid 427 through 428 removed outlier: 3.608A pdb=" N HIS K 413 " --> pdb=" O TRP K 428 " (cutoff:3.500A) Processing sheet with id=AN5, first strand: chain 'K' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY K 456 " --> pdb=" O LEU K 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=AN5 Processing sheet with id=AN6, first strand: chain 'L' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU 1 482 " --> pdb=" O LEU 1 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU 1 486 " --> pdb=" O PRO 1 108 " (cutoff:3.500A) Processing sheet with id=AN7, first strand: chain 'L' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU 1 482 " --> pdb=" O LEU 1 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU 1 486 " --> pdb=" O PRO 1 108 " (cutoff:3.500A) removed outlier: 7.598A pdb=" N THR 1 107 " --> pdb=" O TYR 1 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR 1 211 " --> pdb=" O THR 1 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP 1 109 " --> pdb=" O TYR 1 209 " (cutoff:3.500A) Processing sheet with id=AN8, first strand: chain 'L' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP L 511 " --> pdb=" O ILE L 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE L 145 " --> pdb=" O TRP L 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER L 513 " --> pdb=" O GLN L 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN L 143 " --> pdb=" O SER L 513 " (cutoff:3.500A) removed outlier: 6.640A pdb=" N LYS L 515 " --> pdb=" O PHE L 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE L 141 " --> pdb=" O LYS L 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE L 517 " --> pdb=" O SER L 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU L 135 " --> pdb=" O LYS L 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER L 139 " --> pdb=" O ILE L 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE L 268 " --> pdb=" O SER L 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE L 141 " --> pdb=" O LYS L 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS L 266 " --> pdb=" O PHE L 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN L 143 " --> pdb=" O SER L 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER L 264 " --> pdb=" O GLN L 143 " (cutoff:3.500A) Processing sheet with id=AN9, first strand: chain 'L' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN L 167 " --> pdb=" O THR L 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP L 511 " --> pdb=" O ILE L 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE L 145 " --> pdb=" O TRP L 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER L 513 " --> pdb=" O GLN L 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN L 143 " --> pdb=" O SER L 513 " (cutoff:3.500A) removed outlier: 6.640A pdb=" N LYS L 515 " --> pdb=" O PHE L 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE L 141 " --> pdb=" O LYS L 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE L 517 " --> pdb=" O SER L 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU L 135 " --> pdb=" O LYS L 521 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N ILE L 136 " --> pdb=" O ALA L 274 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N ALA L 274 " --> pdb=" O ILE L 136 " (cutoff:3.500A) Processing sheet with id=AO1, first strand: chain 'L' and resid 155 through 157 Processing sheet with id=AO2, first strand: chain 'L' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP L 220 " --> pdb=" O TRP L 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP L 230 " --> pdb=" O ASP L 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN L 222 " --> pdb=" O ASN L 228 " (cutoff:3.500A) Processing sheet with id=AO3, first strand: chain 'L' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR L 278 " --> pdb=" O ASN L 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AO3 Processing sheet with id=AO4, first strand: chain 'L' and resid 330 through 331 removed outlier: 6.659A pdb=" N HIS L 330 " --> pdb=" O ALA L 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=AO4 Processing sheet with id=AO5, first strand: chain 'L' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY L 456 " --> pdb=" O LEU L 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=AO5 Processing sheet with id=AO6, first strand: chain 'M' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU N 482 " --> pdb=" O LEU N 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU N 486 " --> pdb=" O PRO N 108 " (cutoff:3.500A) Processing sheet with id=AO7, first strand: chain 'M' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU N 482 " --> pdb=" O LEU N 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU N 486 " --> pdb=" O PRO N 108 " (cutoff:3.500A) removed outlier: 7.599A pdb=" N THR N 107 " --> pdb=" O TYR N 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR N 211 " --> pdb=" O THR N 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP N 109 " --> pdb=" O TYR N 209 " (cutoff:3.500A) Processing sheet with id=AO8, first strand: chain 'M' and resid 45 through 49 removed outlier: 6.811A pdb=" N TRP M 511 " --> pdb=" O ILE M 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE M 145 " --> pdb=" O TRP M 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER M 513 " --> pdb=" O GLN M 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN M 143 " --> pdb=" O SER M 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS M 515 " --> pdb=" O PHE M 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE M 141 " --> pdb=" O LYS M 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE M 517 " --> pdb=" O SER M 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU M 135 " --> pdb=" O LYS M 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER M 139 " --> pdb=" O ILE M 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE M 268 " --> pdb=" O SER M 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE M 141 " --> pdb=" O LYS M 266 " (cutoff:3.500A) removed outlier: 4.840A pdb=" N LYS M 266 " --> pdb=" O PHE M 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN M 143 " --> pdb=" O SER M 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER M 264 " --> pdb=" O GLN M 143 " (cutoff:3.500A) Processing sheet with id=AO9, first strand: chain 'M' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN M 167 " --> pdb=" O THR M 152 " (cutoff:3.500A) removed outlier: 6.811A pdb=" N TRP M 511 " --> pdb=" O ILE M 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE M 145 " --> pdb=" O TRP M 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER M 513 " --> pdb=" O GLN M 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN M 143 " --> pdb=" O SER M 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS M 515 " --> pdb=" O PHE M 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE M 141 " --> pdb=" O LYS M 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE M 517 " --> pdb=" O SER M 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU M 135 " --> pdb=" O LYS M 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE M 136 " --> pdb=" O ALA M 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA M 274 " --> pdb=" O ILE M 136 " (cutoff:3.500A) Processing sheet with id=AP1, first strand: chain 'M' and resid 75 through 78 removed outlier: 7.599A pdb=" N THR M 107 " --> pdb=" O TYR M 211 " (cutoff:3.500A) removed outlier: 8.001A pdb=" N TYR M 211 " --> pdb=" O THR M 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP M 109 " --> pdb=" O TYR M 209 " (cutoff:3.500A) Processing sheet with id=AP2, first strand: chain 'M' and resid 75 through 78 removed outlier: 6.448A pdb=" N LEU M 486 " --> pdb=" O PRO M 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEU M 482 " --> pdb=" O LEU M 112 " (cutoff:3.500A) Processing sheet with id=AP3, first strand: chain 'M' and resid 155 through 157 Processing sheet with id=AP4, first strand: chain 'M' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP M 220 " --> pdb=" O TRP M 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP M 230 " --> pdb=" O ASP M 220 " (cutoff:3.500A) removed outlier: 6.222A pdb=" N ASN M 222 " --> pdb=" O ASN M 228 " (cutoff:3.500A) Processing sheet with id=AP5, first strand: chain 'M' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR M 278 " --> pdb=" O ASN M 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AP5 Processing sheet with id=AP6, first strand: chain 'M' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS M 330 " --> pdb=" O ALA M 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=AP6 Processing sheet with id=AP7, first strand: chain 'M' and resid 348 through 349 removed outlier: 3.608A pdb=" N HIS 1 413 " --> pdb=" O TRP 1 428 " (cutoff:3.500A) Processing sheet with id=AP8, first strand: chain 'M' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY M 456 " --> pdb=" O LEU M 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=AP8 Processing sheet with id=AP9, first strand: chain 'N' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU g 482 " --> pdb=" O LEU g 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU g 486 " --> pdb=" O PRO g 108 " (cutoff:3.500A) Processing sheet with id=AQ1, first strand: chain 'N' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU g 482 " --> pdb=" O LEU g 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU g 486 " --> pdb=" O PRO g 108 " (cutoff:3.500A) removed outlier: 7.598A pdb=" N THR g 107 " --> pdb=" O TYR g 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR g 211 " --> pdb=" O THR g 107 " (cutoff:3.500A) removed outlier: 5.014A pdb=" N TRP g 109 " --> pdb=" O TYR g 209 " (cutoff:3.500A) Processing sheet with id=AQ2, first strand: chain 'N' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP N 511 " --> pdb=" O ILE N 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE N 145 " --> pdb=" O TRP N 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER N 513 " --> pdb=" O GLN N 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN N 143 " --> pdb=" O SER N 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS N 515 " --> pdb=" O PHE N 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE N 141 " --> pdb=" O LYS N 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE N 517 " --> pdb=" O SER N 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU N 135 " --> pdb=" O LYS N 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER N 139 " --> pdb=" O ILE N 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE N 268 " --> pdb=" O SER N 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE N 141 " --> pdb=" O LYS N 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS N 266 " --> pdb=" O PHE N 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN N 143 " --> pdb=" O SER N 264 " (cutoff:3.500A) removed outlier: 4.661A pdb=" N SER N 264 " --> pdb=" O GLN N 143 " (cutoff:3.500A) Processing sheet with id=AQ3, first strand: chain 'N' and resid 167 through 168 removed outlier: 3.519A pdb=" N ASN N 167 " --> pdb=" O THR N 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP N 511 " --> pdb=" O ILE N 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE N 145 " --> pdb=" O TRP N 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER N 513 " --> pdb=" O GLN N 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN N 143 " --> pdb=" O SER N 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS N 515 " --> pdb=" O PHE N 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE N 141 " --> pdb=" O LYS N 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE N 517 " --> pdb=" O SER N 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU N 135 " --> pdb=" O LYS N 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE N 136 " --> pdb=" O ALA N 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA N 274 " --> pdb=" O ILE N 136 " (cutoff:3.500A) Processing sheet with id=AQ4, first strand: chain 'N' and resid 155 through 157 Processing sheet with id=AQ5, first strand: chain 'N' and resid 219 through 223 removed outlier: 6.509A pdb=" N ASP N 220 " --> pdb=" O TRP N 230 " (cutoff:3.500A) removed outlier: 4.308A pdb=" N TRP N 230 " --> pdb=" O ASP N 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN N 222 " --> pdb=" O ASN N 228 " (cutoff:3.500A) Processing sheet with id=AQ6, first strand: chain 'N' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR N 278 " --> pdb=" O ASN N 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AQ6 Processing sheet with id=AQ7, first strand: chain 'N' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS N 330 " --> pdb=" O ALA N 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=AQ7 Processing sheet with id=AQ8, first strand: chain 'N' and resid 427 through 428 removed outlier: 3.607A pdb=" N HIS N 413 " --> pdb=" O TRP N 428 " (cutoff:3.500A) Processing sheet with id=AQ9, first strand: chain 'N' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY N 456 " --> pdb=" O LEU N 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=AQ9 Processing sheet with id=AR1, first strand: chain 'O' and resid 40 through 41 removed outlier: 4.248A pdb=" N LEU P 482 " --> pdb=" O LEU P 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU P 486 " --> pdb=" O PRO P 108 " (cutoff:3.500A) Processing sheet with id=AR2, first strand: chain 'O' and resid 40 through 41 removed outlier: 4.248A pdb=" N LEU P 482 " --> pdb=" O LEU P 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU P 486 " --> pdb=" O PRO P 108 " (cutoff:3.500A) removed outlier: 7.599A pdb=" N THR P 107 " --> pdb=" O TYR P 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR P 211 " --> pdb=" O THR P 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP P 109 " --> pdb=" O TYR P 209 " (cutoff:3.500A) Processing sheet with id=AR3, first strand: chain 'O' and resid 45 through 49 removed outlier: 6.811A pdb=" N TRP O 511 " --> pdb=" O ILE O 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE O 145 " --> pdb=" O TRP O 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER O 513 " --> pdb=" O GLN O 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN O 143 " --> pdb=" O SER O 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS O 515 " --> pdb=" O PHE O 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE O 141 " --> pdb=" O LYS O 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE O 517 " --> pdb=" O SER O 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU O 135 " --> pdb=" O LYS O 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER O 139 " --> pdb=" O ILE O 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE O 268 " --> pdb=" O SER O 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE O 141 " --> pdb=" O LYS O 266 " (cutoff:3.500A) removed outlier: 4.840A pdb=" N LYS O 266 " --> pdb=" O PHE O 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN O 143 " --> pdb=" O SER O 264 " (cutoff:3.500A) removed outlier: 4.661A pdb=" N SER O 264 " --> pdb=" O GLN O 143 " (cutoff:3.500A) Processing sheet with id=AR4, first strand: chain 'O' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN O 167 " --> pdb=" O THR O 152 " (cutoff:3.500A) removed outlier: 6.811A pdb=" N TRP O 511 " --> pdb=" O ILE O 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE O 145 " --> pdb=" O TRP O 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER O 513 " --> pdb=" O GLN O 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN O 143 " --> pdb=" O SER O 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS O 515 " --> pdb=" O PHE O 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE O 141 " --> pdb=" O LYS O 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE O 517 " --> pdb=" O SER O 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU O 135 " --> pdb=" O LYS O 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE O 136 " --> pdb=" O ALA O 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA O 274 " --> pdb=" O ILE O 136 " (cutoff:3.500A) Processing sheet with id=AR5, first strand: chain 'O' and resid 75 through 78 removed outlier: 7.598A pdb=" N THR O 107 " --> pdb=" O TYR O 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR O 211 " --> pdb=" O THR O 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP O 109 " --> pdb=" O TYR O 209 " (cutoff:3.500A) Processing sheet with id=AR6, first strand: chain 'O' and resid 75 through 78 removed outlier: 6.448A pdb=" N LEU O 486 " --> pdb=" O PRO O 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEU O 482 " --> pdb=" O LEU O 112 " (cutoff:3.500A) Processing sheet with id=AR7, first strand: chain 'O' and resid 155 through 157 Processing sheet with id=AR8, first strand: chain 'O' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP O 220 " --> pdb=" O TRP O 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP O 230 " --> pdb=" O ASP O 220 " (cutoff:3.500A) removed outlier: 6.222A pdb=" N ASN O 222 " --> pdb=" O ASN O 228 " (cutoff:3.500A) Processing sheet with id=AR9, first strand: chain 'O' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR O 278 " --> pdb=" O ASN O 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AR9 Processing sheet with id=AS1, first strand: chain 'O' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS O 330 " --> pdb=" O ALA O 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=AS1 Processing sheet with id=AS2, first strand: chain 'O' and resid 348 through 349 removed outlier: 3.607A pdb=" N HIS h 413 " --> pdb=" O TRP h 428 " (cutoff:3.500A) Processing sheet with id=AS3, first strand: chain 'O' and resid 427 through 428 removed outlier: 3.607A pdb=" N HIS O 413 " --> pdb=" O TRP O 428 " (cutoff:3.500A) Processing sheet with id=AS4, first strand: chain 'O' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY O 456 " --> pdb=" O LEU O 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=AS4 Processing sheet with id=AS5, first strand: chain 'P' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU Q 482 " --> pdb=" O LEU Q 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU Q 486 " --> pdb=" O PRO Q 108 " (cutoff:3.500A) Processing sheet with id=AS6, first strand: chain 'P' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU Q 482 " --> pdb=" O LEU Q 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU Q 486 " --> pdb=" O PRO Q 108 " (cutoff:3.500A) removed outlier: 7.599A pdb=" N THR Q 107 " --> pdb=" O TYR Q 211 " (cutoff:3.500A) removed outlier: 8.001A pdb=" N TYR Q 211 " --> pdb=" O THR Q 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP Q 109 " --> pdb=" O TYR Q 209 " (cutoff:3.500A) Processing sheet with id=AS7, first strand: chain 'P' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP P 511 " --> pdb=" O ILE P 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE P 145 " --> pdb=" O TRP P 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER P 513 " --> pdb=" O GLN P 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN P 143 " --> pdb=" O SER P 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS P 515 " --> pdb=" O PHE P 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE P 141 " --> pdb=" O LYS P 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE P 517 " --> pdb=" O SER P 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU P 135 " --> pdb=" O LYS P 521 " (cutoff:3.500A) removed outlier: 7.457A pdb=" N SER P 139 " --> pdb=" O ILE P 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE P 268 " --> pdb=" O SER P 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE P 141 " --> pdb=" O LYS P 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS P 266 " --> pdb=" O PHE P 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN P 143 " --> pdb=" O SER P 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER P 264 " --> pdb=" O GLN P 143 " (cutoff:3.500A) Processing sheet with id=AS8, first strand: chain 'P' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN P 167 " --> pdb=" O THR P 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP P 511 " --> pdb=" O ILE P 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE P 145 " --> pdb=" O TRP P 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER P 513 " --> pdb=" O GLN P 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN P 143 " --> pdb=" O SER P 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS P 515 " --> pdb=" O PHE P 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE P 141 " --> pdb=" O LYS P 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE P 517 " --> pdb=" O SER P 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU P 135 " --> pdb=" O LYS P 521 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N ILE P 136 " --> pdb=" O ALA P 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA P 274 " --> pdb=" O ILE P 136 " (cutoff:3.500A) Processing sheet with id=AS9, first strand: chain 'P' and resid 155 through 157 Processing sheet with id=AT1, first strand: chain 'P' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP P 220 " --> pdb=" O TRP P 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP P 230 " --> pdb=" O ASP P 220 " (cutoff:3.500A) removed outlier: 6.222A pdb=" N ASN P 222 " --> pdb=" O ASN P 228 " (cutoff:3.500A) Processing sheet with id=AT2, first strand: chain 'P' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR P 278 " --> pdb=" O ASN P 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AT2 Processing sheet with id=AT3, first strand: chain 'P' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS P 330 " --> pdb=" O ALA P 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=AT3 Processing sheet with id=AT4, first strand: chain 'P' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY P 456 " --> pdb=" O LEU P 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=AT4 Processing sheet with id=AT5, first strand: chain 'Q' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU S 482 " --> pdb=" O LEU S 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU S 486 " --> pdb=" O PRO S 108 " (cutoff:3.500A) Processing sheet with id=AT6, first strand: chain 'Q' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU S 482 " --> pdb=" O LEU S 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU S 486 " --> pdb=" O PRO S 108 " (cutoff:3.500A) removed outlier: 7.598A pdb=" N THR S 107 " --> pdb=" O TYR S 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR S 211 " --> pdb=" O THR S 107 " (cutoff:3.500A) removed outlier: 5.012A pdb=" N TRP S 109 " --> pdb=" O TYR S 209 " (cutoff:3.500A) Processing sheet with id=AT7, first strand: chain 'Q' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP Q 511 " --> pdb=" O ILE Q 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE Q 145 " --> pdb=" O TRP Q 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER Q 513 " --> pdb=" O GLN Q 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN Q 143 " --> pdb=" O SER Q 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS Q 515 " --> pdb=" O PHE Q 141 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N PHE Q 141 " --> pdb=" O LYS Q 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE Q 517 " --> pdb=" O SER Q 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU Q 135 " --> pdb=" O LYS Q 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER Q 139 " --> pdb=" O ILE Q 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE Q 268 " --> pdb=" O SER Q 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE Q 141 " --> pdb=" O LYS Q 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS Q 266 " --> pdb=" O PHE Q 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN Q 143 " --> pdb=" O SER Q 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER Q 264 " --> pdb=" O GLN Q 143 " (cutoff:3.500A) Processing sheet with id=AT8, first strand: chain 'Q' and resid 167 through 168 removed outlier: 3.519A pdb=" N ASN Q 167 " --> pdb=" O THR Q 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP Q 511 " --> pdb=" O ILE Q 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE Q 145 " --> pdb=" O TRP Q 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER Q 513 " --> pdb=" O GLN Q 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN Q 143 " --> pdb=" O SER Q 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS Q 515 " --> pdb=" O PHE Q 141 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N PHE Q 141 " --> pdb=" O LYS Q 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE Q 517 " --> pdb=" O SER Q 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU Q 135 " --> pdb=" O LYS Q 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE Q 136 " --> pdb=" O ALA Q 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA Q 274 " --> pdb=" O ILE Q 136 " (cutoff:3.500A) Processing sheet with id=AT9, first strand: chain 'Q' and resid 155 through 157 Processing sheet with id=AU1, first strand: chain 'Q' and resid 219 through 223 removed outlier: 6.511A pdb=" N ASP Q 220 " --> pdb=" O TRP Q 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP Q 230 " --> pdb=" O ASP Q 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN Q 222 " --> pdb=" O ASN Q 228 " (cutoff:3.500A) Processing sheet with id=AU2, first strand: chain 'Q' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR Q 278 " --> pdb=" O ASN Q 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AU2 Processing sheet with id=AU3, first strand: chain 'Q' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS Q 330 " --> pdb=" O ALA Q 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=AU3 Processing sheet with id=AU4, first strand: chain 'Q' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY Q 456 " --> pdb=" O LEU Q 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=AU4 Processing sheet with id=AU5, first strand: chain 'R' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP R 511 " --> pdb=" O ILE R 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE R 145 " --> pdb=" O TRP R 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER R 513 " --> pdb=" O GLN R 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN R 143 " --> pdb=" O SER R 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS R 515 " --> pdb=" O PHE R 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE R 141 " --> pdb=" O LYS R 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE R 517 " --> pdb=" O SER R 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU R 135 " --> pdb=" O LYS R 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER R 139 " --> pdb=" O ILE R 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE R 268 " --> pdb=" O SER R 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE R 141 " --> pdb=" O LYS R 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS R 266 " --> pdb=" O PHE R 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN R 143 " --> pdb=" O SER R 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER R 264 " --> pdb=" O GLN R 143 " (cutoff:3.500A) Processing sheet with id=AU6, first strand: chain 'R' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN R 167 " --> pdb=" O THR R 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP R 511 " --> pdb=" O ILE R 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE R 145 " --> pdb=" O TRP R 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER R 513 " --> pdb=" O GLN R 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN R 143 " --> pdb=" O SER R 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS R 515 " --> pdb=" O PHE R 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE R 141 " --> pdb=" O LYS R 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE R 517 " --> pdb=" O SER R 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU R 135 " --> pdb=" O LYS R 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE R 136 " --> pdb=" O ALA R 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA R 274 " --> pdb=" O ILE R 136 " (cutoff:3.500A) Processing sheet with id=AU7, first strand: chain 'R' and resid 75 through 78 removed outlier: 7.599A pdb=" N THR R 107 " --> pdb=" O TYR R 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR R 211 " --> pdb=" O THR R 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP R 109 " --> pdb=" O TYR R 209 " (cutoff:3.500A) Processing sheet with id=AU8, first strand: chain 'R' and resid 75 through 78 removed outlier: 6.449A pdb=" N LEU R 486 " --> pdb=" O PRO R 108 " (cutoff:3.500A) removed outlier: 4.248A pdb=" N LEU R 482 " --> pdb=" O LEU R 112 " (cutoff:3.500A) Processing sheet with id=AU9, first strand: chain 'R' and resid 155 through 157 Processing sheet with id=AV1, first strand: chain 'R' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP R 220 " --> pdb=" O TRP R 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP R 230 " --> pdb=" O ASP R 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN R 222 " --> pdb=" O ASN R 228 " (cutoff:3.500A) Processing sheet with id=AV2, first strand: chain 'R' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR R 278 " --> pdb=" O ASN R 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AV2 Processing sheet with id=AV3, first strand: chain 'R' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS R 330 " --> pdb=" O ALA R 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=AV3 Processing sheet with id=AV4, first strand: chain 'R' and resid 348 through 349 removed outlier: 3.608A pdb=" N HIS U 413 " --> pdb=" O TRP U 428 " (cutoff:3.500A) Processing sheet with id=AV5, first strand: chain 'R' and resid 427 through 428 removed outlier: 3.607A pdb=" N HIS R 413 " --> pdb=" O TRP R 428 " (cutoff:3.500A) Processing sheet with id=AV6, first strand: chain 'R' and resid 456 through 457 removed outlier: 7.071A pdb=" N GLY R 456 " --> pdb=" O LEU R 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=AV6 Processing sheet with id=AV7, first strand: chain 'S' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU 3 482 " --> pdb=" O LEU 3 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU 3 486 " --> pdb=" O PRO 3 108 " (cutoff:3.500A) Processing sheet with id=AV8, first strand: chain 'S' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU 3 482 " --> pdb=" O LEU 3 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU 3 486 " --> pdb=" O PRO 3 108 " (cutoff:3.500A) removed outlier: 7.598A pdb=" N THR 3 107 " --> pdb=" O TYR 3 211 " (cutoff:3.500A) removed outlier: 8.001A pdb=" N TYR 3 211 " --> pdb=" O THR 3 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP 3 109 " --> pdb=" O TYR 3 209 " (cutoff:3.500A) Processing sheet with id=AV9, first strand: chain 'S' and resid 45 through 49 removed outlier: 6.809A pdb=" N TRP S 511 " --> pdb=" O ILE S 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE S 145 " --> pdb=" O TRP S 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER S 513 " --> pdb=" O GLN S 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN S 143 " --> pdb=" O SER S 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS S 515 " --> pdb=" O PHE S 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE S 141 " --> pdb=" O LYS S 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE S 517 " --> pdb=" O SER S 139 " (cutoff:3.500A) removed outlier: 4.072A pdb=" N GLU S 135 " --> pdb=" O LYS S 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER S 139 " --> pdb=" O ILE S 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE S 268 " --> pdb=" O SER S 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE S 141 " --> pdb=" O LYS S 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS S 266 " --> pdb=" O PHE S 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN S 143 " --> pdb=" O SER S 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER S 264 " --> pdb=" O GLN S 143 " (cutoff:3.500A) Processing sheet with id=AW1, first strand: chain 'S' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN S 167 " --> pdb=" O THR S 152 " (cutoff:3.500A) removed outlier: 6.809A pdb=" N TRP S 511 " --> pdb=" O ILE S 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE S 145 " --> pdb=" O TRP S 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER S 513 " --> pdb=" O GLN S 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN S 143 " --> pdb=" O SER S 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS S 515 " --> pdb=" O PHE S 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE S 141 " --> pdb=" O LYS S 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE S 517 " --> pdb=" O SER S 139 " (cutoff:3.500A) removed outlier: 4.072A pdb=" N GLU S 135 " --> pdb=" O LYS S 521 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N ILE S 136 " --> pdb=" O ALA S 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA S 274 " --> pdb=" O ILE S 136 " (cutoff:3.500A) Processing sheet with id=AW2, first strand: chain 'S' and resid 155 through 157 Processing sheet with id=AW3, first strand: chain 'S' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP S 220 " --> pdb=" O TRP S 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP S 230 " --> pdb=" O ASP S 220 " (cutoff:3.500A) removed outlier: 6.222A pdb=" N ASN S 222 " --> pdb=" O ASN S 228 " (cutoff:3.500A) Processing sheet with id=AW4, first strand: chain 'S' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR S 278 " --> pdb=" O ASN S 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AW4 Processing sheet with id=AW5, first strand: chain 'S' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS S 330 " --> pdb=" O ALA S 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=AW5 Processing sheet with id=AW6, first strand: chain 'S' and resid 427 through 428 removed outlier: 3.607A pdb=" N HIS S 413 " --> pdb=" O TRP S 428 " (cutoff:3.500A) Processing sheet with id=AW7, first strand: chain 'S' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY S 456 " --> pdb=" O LEU S 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=AW7 Processing sheet with id=AW8, first strand: chain 'T' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU U 482 " --> pdb=" O LEU U 112 " (cutoff:3.500A) removed outlier: 6.447A pdb=" N LEU U 486 " --> pdb=" O PRO U 108 " (cutoff:3.500A) Processing sheet with id=AW9, first strand: chain 'T' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU U 482 " --> pdb=" O LEU U 112 " (cutoff:3.500A) removed outlier: 6.447A pdb=" N LEU U 486 " --> pdb=" O PRO U 108 " (cutoff:3.500A) removed outlier: 7.599A pdb=" N THR U 107 " --> pdb=" O TYR U 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR U 211 " --> pdb=" O THR U 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP U 109 " --> pdb=" O TYR U 209 " (cutoff:3.500A) Processing sheet with id=AX1, first strand: chain 'T' and resid 45 through 49 removed outlier: 6.811A pdb=" N TRP T 511 " --> pdb=" O ILE T 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE T 145 " --> pdb=" O TRP T 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER T 513 " --> pdb=" O GLN T 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN T 143 " --> pdb=" O SER T 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS T 515 " --> pdb=" O PHE T 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE T 141 " --> pdb=" O LYS T 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE T 517 " --> pdb=" O SER T 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU T 135 " --> pdb=" O LYS T 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER T 139 " --> pdb=" O ILE T 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE T 268 " --> pdb=" O SER T 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE T 141 " --> pdb=" O LYS T 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS T 266 " --> pdb=" O PHE T 141 " (cutoff:3.500A) removed outlier: 4.692A pdb=" N GLN T 143 " --> pdb=" O SER T 264 " (cutoff:3.500A) removed outlier: 4.661A pdb=" N SER T 264 " --> pdb=" O GLN T 143 " (cutoff:3.500A) Processing sheet with id=AX2, first strand: chain 'T' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN T 167 " --> pdb=" O THR T 152 " (cutoff:3.500A) removed outlier: 6.811A pdb=" N TRP T 511 " --> pdb=" O ILE T 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE T 145 " --> pdb=" O TRP T 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER T 513 " --> pdb=" O GLN T 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN T 143 " --> pdb=" O SER T 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS T 515 " --> pdb=" O PHE T 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE T 141 " --> pdb=" O LYS T 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE T 517 " --> pdb=" O SER T 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU T 135 " --> pdb=" O LYS T 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE T 136 " --> pdb=" O ALA T 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA T 274 " --> pdb=" O ILE T 136 " (cutoff:3.500A) Processing sheet with id=AX3, first strand: chain 'T' and resid 75 through 78 removed outlier: 7.598A pdb=" N THR T 107 " --> pdb=" O TYR T 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR T 211 " --> pdb=" O THR T 107 " (cutoff:3.500A) removed outlier: 5.012A pdb=" N TRP T 109 " --> pdb=" O TYR T 209 " (cutoff:3.500A) Processing sheet with id=AX4, first strand: chain 'T' and resid 75 through 78 removed outlier: 6.448A pdb=" N LEU T 486 " --> pdb=" O PRO T 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEU T 482 " --> pdb=" O LEU T 112 " (cutoff:3.500A) Processing sheet with id=AX5, first strand: chain 'T' and resid 155 through 157 Processing sheet with id=AX6, first strand: chain 'T' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP T 220 " --> pdb=" O TRP T 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP T 230 " --> pdb=" O ASP T 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN T 222 " --> pdb=" O ASN T 228 " (cutoff:3.500A) Processing sheet with id=AX7, first strand: chain 'T' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR T 278 " --> pdb=" O ASN T 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AX7 Processing sheet with id=AX8, first strand: chain 'T' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS T 330 " --> pdb=" O ALA T 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=AX8 Processing sheet with id=AX9, first strand: chain 'T' and resid 348 through 349 removed outlier: 3.607A pdb=" N HIS f 413 " --> pdb=" O TRP f 428 " (cutoff:3.500A) Processing sheet with id=AY1, first strand: chain 'T' and resid 427 through 428 removed outlier: 3.607A pdb=" N HIS T 413 " --> pdb=" O TRP T 428 " (cutoff:3.500A) Processing sheet with id=AY2, first strand: chain 'T' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY T 456 " --> pdb=" O LEU T 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=AY2 Processing sheet with id=AY3, first strand: chain 'U' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU 4 482 " --> pdb=" O LEU 4 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU 4 486 " --> pdb=" O PRO 4 108 " (cutoff:3.500A) Processing sheet with id=AY4, first strand: chain 'U' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU 4 482 " --> pdb=" O LEU 4 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU 4 486 " --> pdb=" O PRO 4 108 " (cutoff:3.500A) removed outlier: 7.598A pdb=" N THR 4 107 " --> pdb=" O TYR 4 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR 4 211 " --> pdb=" O THR 4 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP 4 109 " --> pdb=" O TYR 4 209 " (cutoff:3.500A) Processing sheet with id=AY5, first strand: chain 'U' and resid 45 through 49 removed outlier: 6.809A pdb=" N TRP U 511 " --> pdb=" O ILE U 145 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N ILE U 145 " --> pdb=" O TRP U 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER U 513 " --> pdb=" O GLN U 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN U 143 " --> pdb=" O SER U 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS U 515 " --> pdb=" O PHE U 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE U 141 " --> pdb=" O LYS U 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE U 517 " --> pdb=" O SER U 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU U 135 " --> pdb=" O LYS U 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER U 139 " --> pdb=" O ILE U 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE U 268 " --> pdb=" O SER U 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE U 141 " --> pdb=" O LYS U 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS U 266 " --> pdb=" O PHE U 141 " (cutoff:3.500A) removed outlier: 4.692A pdb=" N GLN U 143 " --> pdb=" O SER U 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER U 264 " --> pdb=" O GLN U 143 " (cutoff:3.500A) Processing sheet with id=AY6, first strand: chain 'U' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN U 167 " --> pdb=" O THR U 152 " (cutoff:3.500A) removed outlier: 6.809A pdb=" N TRP U 511 " --> pdb=" O ILE U 145 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N ILE U 145 " --> pdb=" O TRP U 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER U 513 " --> pdb=" O GLN U 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN U 143 " --> pdb=" O SER U 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS U 515 " --> pdb=" O PHE U 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE U 141 " --> pdb=" O LYS U 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE U 517 " --> pdb=" O SER U 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU U 135 " --> pdb=" O LYS U 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE U 136 " --> pdb=" O ALA U 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA U 274 " --> pdb=" O ILE U 136 " (cutoff:3.500A) Processing sheet with id=AY7, first strand: chain 'U' and resid 155 through 157 Processing sheet with id=AY8, first strand: chain 'U' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP U 220 " --> pdb=" O TRP U 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP U 230 " --> pdb=" O ASP U 220 " (cutoff:3.500A) removed outlier: 6.222A pdb=" N ASN U 222 " --> pdb=" O ASN U 228 " (cutoff:3.500A) Processing sheet with id=AY9, first strand: chain 'U' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR U 278 " --> pdb=" O ASN U 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AY9 Processing sheet with id=AZ1, first strand: chain 'U' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS U 330 " --> pdb=" O ALA U 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=AZ1 Processing sheet with id=AZ2, first strand: chain 'U' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY U 456 " --> pdb=" O LEU U 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=AZ2 Processing sheet with id=AZ3, first strand: chain 'V' and resid 45 through 49 removed outlier: 6.809A pdb=" N TRP V 511 " --> pdb=" O ILE V 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE V 145 " --> pdb=" O TRP V 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER V 513 " --> pdb=" O GLN V 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN V 143 " --> pdb=" O SER V 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS V 515 " --> pdb=" O PHE V 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE V 141 " --> pdb=" O LYS V 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE V 517 " --> pdb=" O SER V 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU V 135 " --> pdb=" O LYS V 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER V 139 " --> pdb=" O ILE V 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE V 268 " --> pdb=" O SER V 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE V 141 " --> pdb=" O LYS V 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS V 266 " --> pdb=" O PHE V 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN V 143 " --> pdb=" O SER V 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER V 264 " --> pdb=" O GLN V 143 " (cutoff:3.500A) Processing sheet with id=AZ4, first strand: chain 'V' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN V 167 " --> pdb=" O THR V 152 " (cutoff:3.500A) removed outlier: 6.809A pdb=" N TRP V 511 " --> pdb=" O ILE V 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE V 145 " --> pdb=" O TRP V 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER V 513 " --> pdb=" O GLN V 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN V 143 " --> pdb=" O SER V 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS V 515 " --> pdb=" O PHE V 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE V 141 " --> pdb=" O LYS V 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE V 517 " --> pdb=" O SER V 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU V 135 " --> pdb=" O LYS V 521 " (cutoff:3.500A) removed outlier: 3.633A pdb=" N ILE V 136 " --> pdb=" O ALA V 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA V 274 " --> pdb=" O ILE V 136 " (cutoff:3.500A) Processing sheet with id=AZ5, first strand: chain 'V' and resid 75 through 78 removed outlier: 7.599A pdb=" N THR V 107 " --> pdb=" O TYR V 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR V 211 " --> pdb=" O THR V 107 " (cutoff:3.500A) removed outlier: 5.014A pdb=" N TRP V 109 " --> pdb=" O TYR V 209 " (cutoff:3.500A) Processing sheet with id=AZ6, first strand: chain 'V' and resid 75 through 78 removed outlier: 6.448A pdb=" N LEU V 486 " --> pdb=" O PRO V 108 " (cutoff:3.500A) removed outlier: 4.248A pdb=" N LEU V 482 " --> pdb=" O LEU V 112 " (cutoff:3.500A) Processing sheet with id=AZ7, first strand: chain 'V' and resid 155 through 157 Processing sheet with id=AZ8, first strand: chain 'V' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP V 220 " --> pdb=" O TRP V 230 " (cutoff:3.500A) removed outlier: 4.308A pdb=" N TRP V 230 " --> pdb=" O ASP V 220 " (cutoff:3.500A) removed outlier: 6.222A pdb=" N ASN V 222 " --> pdb=" O ASN V 228 " (cutoff:3.500A) Processing sheet with id=AZ9, first strand: chain 'V' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR V 278 " --> pdb=" O ASN V 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=AZ9 Processing sheet with id=BA1, first strand: chain 'V' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS V 330 " --> pdb=" O ALA V 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BA1 Processing sheet with id=BA2, first strand: chain 'V' and resid 348 through 349 removed outlier: 3.608A pdb=" N HIS X 413 " --> pdb=" O TRP X 428 " (cutoff:3.500A) Processing sheet with id=BA3, first strand: chain 'V' and resid 427 through 428 removed outlier: 3.607A pdb=" N HIS V 413 " --> pdb=" O TRP V 428 " (cutoff:3.500A) Processing sheet with id=BA4, first strand: chain 'V' and resid 456 through 457 removed outlier: 7.071A pdb=" N GLY V 456 " --> pdb=" O LEU V 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BA4 Processing sheet with id=BA5, first strand: chain 'W' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP W 511 " --> pdb=" O ILE W 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE W 145 " --> pdb=" O TRP W 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER W 513 " --> pdb=" O GLN W 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN W 143 " --> pdb=" O SER W 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS W 515 " --> pdb=" O PHE W 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE W 141 " --> pdb=" O LYS W 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE W 517 " --> pdb=" O SER W 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU W 135 " --> pdb=" O LYS W 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER W 139 " --> pdb=" O ILE W 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE W 268 " --> pdb=" O SER W 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE W 141 " --> pdb=" O LYS W 266 " (cutoff:3.500A) removed outlier: 4.840A pdb=" N LYS W 266 " --> pdb=" O PHE W 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN W 143 " --> pdb=" O SER W 264 " (cutoff:3.500A) removed outlier: 4.661A pdb=" N SER W 264 " --> pdb=" O GLN W 143 " (cutoff:3.500A) Processing sheet with id=BA6, first strand: chain 'W' and resid 167 through 168 removed outlier: 3.519A pdb=" N ASN W 167 " --> pdb=" O THR W 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP W 511 " --> pdb=" O ILE W 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE W 145 " --> pdb=" O TRP W 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER W 513 " --> pdb=" O GLN W 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN W 143 " --> pdb=" O SER W 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS W 515 " --> pdb=" O PHE W 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE W 141 " --> pdb=" O LYS W 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE W 517 " --> pdb=" O SER W 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU W 135 " --> pdb=" O LYS W 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE W 136 " --> pdb=" O ALA W 274 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N ALA W 274 " --> pdb=" O ILE W 136 " (cutoff:3.500A) Processing sheet with id=BA7, first strand: chain 'W' and resid 155 through 157 Processing sheet with id=BA8, first strand: chain 'W' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP W 220 " --> pdb=" O TRP W 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP W 230 " --> pdb=" O ASP W 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN W 222 " --> pdb=" O ASN W 228 " (cutoff:3.500A) Processing sheet with id=BA9, first strand: chain 'W' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR W 278 " --> pdb=" O ASN W 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BA9 Processing sheet with id=BB1, first strand: chain 'W' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS W 330 " --> pdb=" O ALA W 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BB1 Processing sheet with id=BB2, first strand: chain 'W' and resid 427 through 428 removed outlier: 3.607A pdb=" N HIS W 413 " --> pdb=" O TRP W 428 " (cutoff:3.500A) Processing sheet with id=BB3, first strand: chain 'W' and resid 456 through 457 removed outlier: 7.069A pdb=" N GLY W 456 " --> pdb=" O LEU W 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BB3 Processing sheet with id=BB4, first strand: chain 'X' and resid 40 through 41 removed outlier: 4.248A pdb=" N LEU Y 482 " --> pdb=" O LEU Y 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU Y 486 " --> pdb=" O PRO Y 108 " (cutoff:3.500A) Processing sheet with id=BB5, first strand: chain 'X' and resid 40 through 41 removed outlier: 4.248A pdb=" N LEU Y 482 " --> pdb=" O LEU Y 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU Y 486 " --> pdb=" O PRO Y 108 " (cutoff:3.500A) removed outlier: 7.599A pdb=" N THR Y 107 " --> pdb=" O TYR Y 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR Y 211 " --> pdb=" O THR Y 107 " (cutoff:3.500A) removed outlier: 5.014A pdb=" N TRP Y 109 " --> pdb=" O TYR Y 209 " (cutoff:3.500A) Processing sheet with id=BB6, first strand: chain 'X' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP X 511 " --> pdb=" O ILE X 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE X 145 " --> pdb=" O TRP X 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER X 513 " --> pdb=" O GLN X 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN X 143 " --> pdb=" O SER X 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS X 515 " --> pdb=" O PHE X 141 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N PHE X 141 " --> pdb=" O LYS X 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE X 517 " --> pdb=" O SER X 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU X 135 " --> pdb=" O LYS X 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER X 139 " --> pdb=" O ILE X 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE X 268 " --> pdb=" O SER X 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE X 141 " --> pdb=" O LYS X 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS X 266 " --> pdb=" O PHE X 141 " (cutoff:3.500A) removed outlier: 4.692A pdb=" N GLN X 143 " --> pdb=" O SER X 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER X 264 " --> pdb=" O GLN X 143 " (cutoff:3.500A) Processing sheet with id=BB7, first strand: chain 'X' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN X 167 " --> pdb=" O THR X 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP X 511 " --> pdb=" O ILE X 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE X 145 " --> pdb=" O TRP X 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER X 513 " --> pdb=" O GLN X 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN X 143 " --> pdb=" O SER X 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS X 515 " --> pdb=" O PHE X 141 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N PHE X 141 " --> pdb=" O LYS X 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE X 517 " --> pdb=" O SER X 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU X 135 " --> pdb=" O LYS X 521 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N ILE X 136 " --> pdb=" O ALA X 274 " (cutoff:3.500A) removed outlier: 3.947A pdb=" N ALA X 274 " --> pdb=" O ILE X 136 " (cutoff:3.500A) Processing sheet with id=BB8, first strand: chain 'X' and resid 75 through 78 removed outlier: 7.599A pdb=" N THR X 107 " --> pdb=" O TYR X 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR X 211 " --> pdb=" O THR X 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP X 109 " --> pdb=" O TYR X 209 " (cutoff:3.500A) Processing sheet with id=BB9, first strand: chain 'X' and resid 75 through 78 removed outlier: 6.448A pdb=" N LEU X 486 " --> pdb=" O PRO X 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEU X 482 " --> pdb=" O LEU X 112 " (cutoff:3.500A) Processing sheet with id=BC1, first strand: chain 'X' and resid 155 through 157 Processing sheet with id=BC2, first strand: chain 'X' and resid 219 through 223 removed outlier: 6.509A pdb=" N ASP X 220 " --> pdb=" O TRP X 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP X 230 " --> pdb=" O ASP X 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN X 222 " --> pdb=" O ASN X 228 " (cutoff:3.500A) Processing sheet with id=BC3, first strand: chain 'X' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR X 278 " --> pdb=" O ASN X 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BC3 Processing sheet with id=BC4, first strand: chain 'X' and resid 330 through 331 removed outlier: 6.657A pdb=" N HIS X 330 " --> pdb=" O ALA X 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BC4 Processing sheet with id=BC5, first strand: chain 'X' and resid 348 through 349 removed outlier: 3.608A pdb=" N HIS 4 413 " --> pdb=" O TRP 4 428 " (cutoff:3.500A) Processing sheet with id=BC6, first strand: chain 'X' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY X 456 " --> pdb=" O LEU X 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BC6 Processing sheet with id=BC7, first strand: chain 'Y' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU x 482 " --> pdb=" O LEU x 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU x 486 " --> pdb=" O PRO x 108 " (cutoff:3.500A) Processing sheet with id=BC8, first strand: chain 'Y' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU x 482 " --> pdb=" O LEU x 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU x 486 " --> pdb=" O PRO x 108 " (cutoff:3.500A) removed outlier: 7.599A pdb=" N THR x 107 " --> pdb=" O TYR x 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR x 211 " --> pdb=" O THR x 107 " (cutoff:3.500A) removed outlier: 5.012A pdb=" N TRP x 109 " --> pdb=" O TYR x 209 " (cutoff:3.500A) Processing sheet with id=BC9, first strand: chain 'Y' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP Y 511 " --> pdb=" O ILE Y 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE Y 145 " --> pdb=" O TRP Y 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER Y 513 " --> pdb=" O GLN Y 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN Y 143 " --> pdb=" O SER Y 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS Y 515 " --> pdb=" O PHE Y 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE Y 141 " --> pdb=" O LYS Y 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE Y 517 " --> pdb=" O SER Y 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU Y 135 " --> pdb=" O LYS Y 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER Y 139 " --> pdb=" O ILE Y 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE Y 268 " --> pdb=" O SER Y 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE Y 141 " --> pdb=" O LYS Y 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS Y 266 " --> pdb=" O PHE Y 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN Y 143 " --> pdb=" O SER Y 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER Y 264 " --> pdb=" O GLN Y 143 " (cutoff:3.500A) Processing sheet with id=BD1, first strand: chain 'Y' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN Y 167 " --> pdb=" O THR Y 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP Y 511 " --> pdb=" O ILE Y 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE Y 145 " --> pdb=" O TRP Y 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER Y 513 " --> pdb=" O GLN Y 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN Y 143 " --> pdb=" O SER Y 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS Y 515 " --> pdb=" O PHE Y 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE Y 141 " --> pdb=" O LYS Y 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE Y 517 " --> pdb=" O SER Y 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU Y 135 " --> pdb=" O LYS Y 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE Y 136 " --> pdb=" O ALA Y 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA Y 274 " --> pdb=" O ILE Y 136 " (cutoff:3.500A) Processing sheet with id=BD2, first strand: chain 'Y' and resid 155 through 157 Processing sheet with id=BD3, first strand: chain 'Y' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP Y 220 " --> pdb=" O TRP Y 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP Y 230 " --> pdb=" O ASP Y 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN Y 222 " --> pdb=" O ASN Y 228 " (cutoff:3.500A) Processing sheet with id=BD4, first strand: chain 'Y' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR Y 278 " --> pdb=" O ASN Y 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BD4 Processing sheet with id=BD5, first strand: chain 'Y' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS Y 330 " --> pdb=" O ALA Y 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BD5 Processing sheet with id=BD6, first strand: chain 'Y' and resid 456 through 457 removed outlier: 7.071A pdb=" N GLY Y 456 " --> pdb=" O LEU Y 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BD6 Processing sheet with id=BD7, first strand: chain 'Z' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP Z 511 " --> pdb=" O ILE Z 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE Z 145 " --> pdb=" O TRP Z 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER Z 513 " --> pdb=" O GLN Z 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN Z 143 " --> pdb=" O SER Z 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS Z 515 " --> pdb=" O PHE Z 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE Z 141 " --> pdb=" O LYS Z 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE Z 517 " --> pdb=" O SER Z 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU Z 135 " --> pdb=" O LYS Z 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER Z 139 " --> pdb=" O ILE Z 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE Z 268 " --> pdb=" O SER Z 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE Z 141 " --> pdb=" O LYS Z 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS Z 266 " --> pdb=" O PHE Z 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN Z 143 " --> pdb=" O SER Z 264 " (cutoff:3.500A) removed outlier: 4.661A pdb=" N SER Z 264 " --> pdb=" O GLN Z 143 " (cutoff:3.500A) Processing sheet with id=BD8, first strand: chain 'Z' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN Z 167 " --> pdb=" O THR Z 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP Z 511 " --> pdb=" O ILE Z 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE Z 145 " --> pdb=" O TRP Z 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER Z 513 " --> pdb=" O GLN Z 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN Z 143 " --> pdb=" O SER Z 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS Z 515 " --> pdb=" O PHE Z 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE Z 141 " --> pdb=" O LYS Z 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE Z 517 " --> pdb=" O SER Z 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU Z 135 " --> pdb=" O LYS Z 521 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N ILE Z 136 " --> pdb=" O ALA Z 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA Z 274 " --> pdb=" O ILE Z 136 " (cutoff:3.500A) Processing sheet with id=BD9, first strand: chain 'Z' and resid 75 through 78 removed outlier: 7.599A pdb=" N THR Z 107 " --> pdb=" O TYR Z 211 " (cutoff:3.500A) removed outlier: 8.001A pdb=" N TYR Z 211 " --> pdb=" O THR Z 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP Z 109 " --> pdb=" O TYR Z 209 " (cutoff:3.500A) Processing sheet with id=BE1, first strand: chain 'Z' and resid 75 through 78 removed outlier: 6.448A pdb=" N LEU Z 486 " --> pdb=" O PRO Z 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEU Z 482 " --> pdb=" O LEU Z 112 " (cutoff:3.500A) Processing sheet with id=BE2, first strand: chain 'Z' and resid 155 through 157 Processing sheet with id=BE3, first strand: chain 'Z' and resid 219 through 223 removed outlier: 6.511A pdb=" N ASP Z 220 " --> pdb=" O TRP Z 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP Z 230 " --> pdb=" O ASP Z 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN Z 222 " --> pdb=" O ASN Z 228 " (cutoff:3.500A) Processing sheet with id=BE4, first strand: chain 'Z' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR Z 278 " --> pdb=" O ASN Z 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BE4 Processing sheet with id=BE5, first strand: chain 'Z' and resid 330 through 331 removed outlier: 6.659A pdb=" N HIS Z 330 " --> pdb=" O ALA Z 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BE5 Processing sheet with id=BE6, first strand: chain 'Z' and resid 348 through 349 removed outlier: 3.608A pdb=" N HIS w 413 " --> pdb=" O TRP w 428 " (cutoff:3.500A) Processing sheet with id=BE7, first strand: chain 'Z' and resid 427 through 428 removed outlier: 3.607A pdb=" N HIS Z 413 " --> pdb=" O TRP Z 428 " (cutoff:3.500A) Processing sheet with id=BE8, first strand: chain 'Z' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY Z 456 " --> pdb=" O LEU Z 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BE8 Processing sheet with id=BE9, first strand: chain '0' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP 0 511 " --> pdb=" O ILE 0 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE 0 145 " --> pdb=" O TRP 0 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER 0 513 " --> pdb=" O GLN 0 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN 0 143 " --> pdb=" O SER 0 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS 0 515 " --> pdb=" O PHE 0 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE 0 141 " --> pdb=" O LYS 0 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE 0 517 " --> pdb=" O SER 0 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU 0 135 " --> pdb=" O LYS 0 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER 0 139 " --> pdb=" O ILE 0 268 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N ILE 0 268 " --> pdb=" O SER 0 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE 0 141 " --> pdb=" O LYS 0 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS 0 266 " --> pdb=" O PHE 0 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN 0 143 " --> pdb=" O SER 0 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER 0 264 " --> pdb=" O GLN 0 143 " (cutoff:3.500A) Processing sheet with id=BF1, first strand: chain '0' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN 0 167 " --> pdb=" O THR 0 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP 0 511 " --> pdb=" O ILE 0 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE 0 145 " --> pdb=" O TRP 0 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER 0 513 " --> pdb=" O GLN 0 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN 0 143 " --> pdb=" O SER 0 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS 0 515 " --> pdb=" O PHE 0 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE 0 141 " --> pdb=" O LYS 0 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE 0 517 " --> pdb=" O SER 0 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU 0 135 " --> pdb=" O LYS 0 521 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N ILE 0 136 " --> pdb=" O ALA 0 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA 0 274 " --> pdb=" O ILE 0 136 " (cutoff:3.500A) Processing sheet with id=BF2, first strand: chain '0' and resid 155 through 157 Processing sheet with id=BF3, first strand: chain '0' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP 0 220 " --> pdb=" O TRP 0 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP 0 230 " --> pdb=" O ASP 0 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN 0 222 " --> pdb=" O ASN 0 228 " (cutoff:3.500A) Processing sheet with id=BF4, first strand: chain '0' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR 0 278 " --> pdb=" O ASN 0 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BF4 Processing sheet with id=BF5, first strand: chain '0' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS 0 330 " --> pdb=" O ALA 0 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BF5 Processing sheet with id=BF6, first strand: chain '0' and resid 427 through 428 removed outlier: 3.608A pdb=" N HIS 0 413 " --> pdb=" O TRP 0 428 " (cutoff:3.500A) Processing sheet with id=BF7, first strand: chain '0' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY 0 456 " --> pdb=" O LEU 0 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BF7 Processing sheet with id=BF8, first strand: chain '1' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU i 482 " --> pdb=" O LEU i 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU i 486 " --> pdb=" O PRO i 108 " (cutoff:3.500A) Processing sheet with id=BF9, first strand: chain '1' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU i 482 " --> pdb=" O LEU i 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU i 486 " --> pdb=" O PRO i 108 " (cutoff:3.500A) removed outlier: 7.599A pdb=" N THR i 107 " --> pdb=" O TYR i 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR i 211 " --> pdb=" O THR i 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP i 109 " --> pdb=" O TYR i 209 " (cutoff:3.500A) Processing sheet with id=BG1, first strand: chain '1' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP 1 511 " --> pdb=" O ILE 1 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE 1 145 " --> pdb=" O TRP 1 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER 1 513 " --> pdb=" O GLN 1 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN 1 143 " --> pdb=" O SER 1 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS 1 515 " --> pdb=" O PHE 1 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE 1 141 " --> pdb=" O LYS 1 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE 1 517 " --> pdb=" O SER 1 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU 1 135 " --> pdb=" O LYS 1 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER 1 139 " --> pdb=" O ILE 1 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE 1 268 " --> pdb=" O SER 1 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE 1 141 " --> pdb=" O LYS 1 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS 1 266 " --> pdb=" O PHE 1 141 " (cutoff:3.500A) removed outlier: 4.692A pdb=" N GLN 1 143 " --> pdb=" O SER 1 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER 1 264 " --> pdb=" O GLN 1 143 " (cutoff:3.500A) Processing sheet with id=BG2, first strand: chain '1' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN 1 167 " --> pdb=" O THR 1 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP 1 511 " --> pdb=" O ILE 1 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE 1 145 " --> pdb=" O TRP 1 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER 1 513 " --> pdb=" O GLN 1 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN 1 143 " --> pdb=" O SER 1 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS 1 515 " --> pdb=" O PHE 1 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE 1 141 " --> pdb=" O LYS 1 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE 1 517 " --> pdb=" O SER 1 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU 1 135 " --> pdb=" O LYS 1 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE 1 136 " --> pdb=" O ALA 1 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA 1 274 " --> pdb=" O ILE 1 136 " (cutoff:3.500A) Processing sheet with id=BG3, first strand: chain '1' and resid 155 through 157 Processing sheet with id=BG4, first strand: chain '1' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP 1 220 " --> pdb=" O TRP 1 230 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N TRP 1 230 " --> pdb=" O ASP 1 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN 1 222 " --> pdb=" O ASN 1 228 " (cutoff:3.500A) Processing sheet with id=BG5, first strand: chain '1' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR 1 278 " --> pdb=" O ASN 1 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BG5 Processing sheet with id=BG6, first strand: chain '1' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS 1 330 " --> pdb=" O ALA 1 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BG6 Processing sheet with id=BG7, first strand: chain '1' and resid 456 through 457 removed outlier: 7.071A pdb=" N GLY 1 456 " --> pdb=" O LEU 1 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BG7 Processing sheet with id=BG8, first strand: chain '2' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP 2 511 " --> pdb=" O ILE 2 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE 2 145 " --> pdb=" O TRP 2 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER 2 513 " --> pdb=" O GLN 2 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN 2 143 " --> pdb=" O SER 2 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS 2 515 " --> pdb=" O PHE 2 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE 2 141 " --> pdb=" O LYS 2 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE 2 517 " --> pdb=" O SER 2 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU 2 135 " --> pdb=" O LYS 2 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER 2 139 " --> pdb=" O ILE 2 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE 2 268 " --> pdb=" O SER 2 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE 2 141 " --> pdb=" O LYS 2 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS 2 266 " --> pdb=" O PHE 2 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN 2 143 " --> pdb=" O SER 2 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER 2 264 " --> pdb=" O GLN 2 143 " (cutoff:3.500A) Processing sheet with id=BG9, first strand: chain '2' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN 2 167 " --> pdb=" O THR 2 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP 2 511 " --> pdb=" O ILE 2 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE 2 145 " --> pdb=" O TRP 2 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER 2 513 " --> pdb=" O GLN 2 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN 2 143 " --> pdb=" O SER 2 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS 2 515 " --> pdb=" O PHE 2 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE 2 141 " --> pdb=" O LYS 2 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE 2 517 " --> pdb=" O SER 2 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU 2 135 " --> pdb=" O LYS 2 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE 2 136 " --> pdb=" O ALA 2 274 " (cutoff:3.500A) removed outlier: 3.947A pdb=" N ALA 2 274 " --> pdb=" O ILE 2 136 " (cutoff:3.500A) Processing sheet with id=BH1, first strand: chain '2' and resid 75 through 78 removed outlier: 7.598A pdb=" N THR 2 107 " --> pdb=" O TYR 2 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR 2 211 " --> pdb=" O THR 2 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP 2 109 " --> pdb=" O TYR 2 209 " (cutoff:3.500A) Processing sheet with id=BH2, first strand: chain '2' and resid 75 through 78 removed outlier: 6.448A pdb=" N LEU 2 486 " --> pdb=" O PRO 2 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEU 2 482 " --> pdb=" O LEU 2 112 " (cutoff:3.500A) Processing sheet with id=BH3, first strand: chain '2' and resid 155 through 157 Processing sheet with id=BH4, first strand: chain '2' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP 2 220 " --> pdb=" O TRP 2 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP 2 230 " --> pdb=" O ASP 2 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN 2 222 " --> pdb=" O ASN 2 228 " (cutoff:3.500A) Processing sheet with id=BH5, first strand: chain '2' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR 2 278 " --> pdb=" O ASN 2 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BH5 Processing sheet with id=BH6, first strand: chain '2' and resid 330 through 331 removed outlier: 6.659A pdb=" N HIS 2 330 " --> pdb=" O ALA 2 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BH6 Processing sheet with id=BH7, first strand: chain '2' and resid 348 through 349 removed outlier: 3.608A pdb=" N HIS j 413 " --> pdb=" O TRP j 428 " (cutoff:3.500A) Processing sheet with id=BH8, first strand: chain '2' and resid 427 through 428 removed outlier: 3.607A pdb=" N HIS 2 413 " --> pdb=" O TRP 2 428 " (cutoff:3.500A) Processing sheet with id=BH9, first strand: chain '2' and resid 456 through 457 removed outlier: 7.071A pdb=" N GLY 2 456 " --> pdb=" O LEU 2 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BH9 Processing sheet with id=BI1, first strand: chain '3' and resid 45 through 49 removed outlier: 6.811A pdb=" N TRP 3 511 " --> pdb=" O ILE 3 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE 3 145 " --> pdb=" O TRP 3 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER 3 513 " --> pdb=" O GLN 3 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN 3 143 " --> pdb=" O SER 3 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS 3 515 " --> pdb=" O PHE 3 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE 3 141 " --> pdb=" O LYS 3 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE 3 517 " --> pdb=" O SER 3 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU 3 135 " --> pdb=" O LYS 3 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER 3 139 " --> pdb=" O ILE 3 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE 3 268 " --> pdb=" O SER 3 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE 3 141 " --> pdb=" O LYS 3 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS 3 266 " --> pdb=" O PHE 3 141 " (cutoff:3.500A) removed outlier: 4.692A pdb=" N GLN 3 143 " --> pdb=" O SER 3 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER 3 264 " --> pdb=" O GLN 3 143 " (cutoff:3.500A) Processing sheet with id=BI2, first strand: chain '3' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN 3 167 " --> pdb=" O THR 3 152 " (cutoff:3.500A) removed outlier: 6.811A pdb=" N TRP 3 511 " --> pdb=" O ILE 3 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE 3 145 " --> pdb=" O TRP 3 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER 3 513 " --> pdb=" O GLN 3 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN 3 143 " --> pdb=" O SER 3 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS 3 515 " --> pdb=" O PHE 3 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE 3 141 " --> pdb=" O LYS 3 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE 3 517 " --> pdb=" O SER 3 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU 3 135 " --> pdb=" O LYS 3 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE 3 136 " --> pdb=" O ALA 3 274 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N ALA 3 274 " --> pdb=" O ILE 3 136 " (cutoff:3.500A) Processing sheet with id=BI3, first strand: chain '3' and resid 155 through 157 Processing sheet with id=BI4, first strand: chain '3' and resid 219 through 223 removed outlier: 6.511A pdb=" N ASP 3 220 " --> pdb=" O TRP 3 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP 3 230 " --> pdb=" O ASP 3 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN 3 222 " --> pdb=" O ASN 3 228 " (cutoff:3.500A) Processing sheet with id=BI5, first strand: chain '3' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR 3 278 " --> pdb=" O ASN 3 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BI5 Processing sheet with id=BI6, first strand: chain '3' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS 3 330 " --> pdb=" O ALA 3 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BI6 Processing sheet with id=BI7, first strand: chain '3' and resid 427 through 428 removed outlier: 3.607A pdb=" N HIS 3 413 " --> pdb=" O TRP 3 428 " (cutoff:3.500A) Processing sheet with id=BI8, first strand: chain '3' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY 3 456 " --> pdb=" O LEU 3 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BI8 Processing sheet with id=BI9, first strand: chain '4' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU b 482 " --> pdb=" O LEU b 112 " (cutoff:3.500A) removed outlier: 6.449A pdb=" N LEU b 486 " --> pdb=" O PRO b 108 " (cutoff:3.500A) Processing sheet with id=BJ1, first strand: chain '4' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU b 482 " --> pdb=" O LEU b 112 " (cutoff:3.500A) removed outlier: 6.449A pdb=" N LEU b 486 " --> pdb=" O PRO b 108 " (cutoff:3.500A) removed outlier: 7.598A pdb=" N THR b 107 " --> pdb=" O TYR b 211 " (cutoff:3.500A) removed outlier: 8.001A pdb=" N TYR b 211 " --> pdb=" O THR b 107 " (cutoff:3.500A) removed outlier: 5.014A pdb=" N TRP b 109 " --> pdb=" O TYR b 209 " (cutoff:3.500A) Processing sheet with id=BJ2, first strand: chain '4' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP 4 511 " --> pdb=" O ILE 4 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE 4 145 " --> pdb=" O TRP 4 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER 4 513 " --> pdb=" O GLN 4 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN 4 143 " --> pdb=" O SER 4 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS 4 515 " --> pdb=" O PHE 4 141 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N PHE 4 141 " --> pdb=" O LYS 4 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE 4 517 " --> pdb=" O SER 4 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU 4 135 " --> pdb=" O LYS 4 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER 4 139 " --> pdb=" O ILE 4 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE 4 268 " --> pdb=" O SER 4 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE 4 141 " --> pdb=" O LYS 4 266 " (cutoff:3.500A) removed outlier: 4.838A pdb=" N LYS 4 266 " --> pdb=" O PHE 4 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN 4 143 " --> pdb=" O SER 4 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER 4 264 " --> pdb=" O GLN 4 143 " (cutoff:3.500A) Processing sheet with id=BJ3, first strand: chain '4' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN 4 167 " --> pdb=" O THR 4 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP 4 511 " --> pdb=" O ILE 4 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE 4 145 " --> pdb=" O TRP 4 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER 4 513 " --> pdb=" O GLN 4 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN 4 143 " --> pdb=" O SER 4 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS 4 515 " --> pdb=" O PHE 4 141 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N PHE 4 141 " --> pdb=" O LYS 4 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE 4 517 " --> pdb=" O SER 4 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU 4 135 " --> pdb=" O LYS 4 521 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N ILE 4 136 " --> pdb=" O ALA 4 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA 4 274 " --> pdb=" O ILE 4 136 " (cutoff:3.500A) Processing sheet with id=BJ4, first strand: chain '4' and resid 155 through 157 Processing sheet with id=BJ5, first strand: chain '4' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP 4 220 " --> pdb=" O TRP 4 230 " (cutoff:3.500A) removed outlier: 4.308A pdb=" N TRP 4 230 " --> pdb=" O ASP 4 220 " (cutoff:3.500A) removed outlier: 6.222A pdb=" N ASN 4 222 " --> pdb=" O ASN 4 228 " (cutoff:3.500A) Processing sheet with id=BJ6, first strand: chain '4' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR 4 278 " --> pdb=" O ASN 4 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BJ6 Processing sheet with id=BJ7, first strand: chain '4' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS 4 330 " --> pdb=" O ALA 4 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BJ7 Processing sheet with id=BJ8, first strand: chain '4' and resid 456 through 457 removed outlier: 7.071A pdb=" N GLY 4 456 " --> pdb=" O LEU 4 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BJ8 Processing sheet with id=BJ9, first strand: chain '5' and resid 45 through 49 removed outlier: 6.809A pdb=" N TRP 5 511 " --> pdb=" O ILE 5 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE 5 145 " --> pdb=" O TRP 5 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER 5 513 " --> pdb=" O GLN 5 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN 5 143 " --> pdb=" O SER 5 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS 5 515 " --> pdb=" O PHE 5 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE 5 141 " --> pdb=" O LYS 5 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE 5 517 " --> pdb=" O SER 5 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU 5 135 " --> pdb=" O LYS 5 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER 5 139 " --> pdb=" O ILE 5 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE 5 268 " --> pdb=" O SER 5 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE 5 141 " --> pdb=" O LYS 5 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS 5 266 " --> pdb=" O PHE 5 141 " (cutoff:3.500A) removed outlier: 4.692A pdb=" N GLN 5 143 " --> pdb=" O SER 5 264 " (cutoff:3.500A) removed outlier: 4.661A pdb=" N SER 5 264 " --> pdb=" O GLN 5 143 " (cutoff:3.500A) Processing sheet with id=BK1, first strand: chain '5' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN 5 167 " --> pdb=" O THR 5 152 " (cutoff:3.500A) removed outlier: 6.809A pdb=" N TRP 5 511 " --> pdb=" O ILE 5 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE 5 145 " --> pdb=" O TRP 5 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER 5 513 " --> pdb=" O GLN 5 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN 5 143 " --> pdb=" O SER 5 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS 5 515 " --> pdb=" O PHE 5 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE 5 141 " --> pdb=" O LYS 5 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE 5 517 " --> pdb=" O SER 5 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU 5 135 " --> pdb=" O LYS 5 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE 5 136 " --> pdb=" O ALA 5 274 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N ALA 5 274 " --> pdb=" O ILE 5 136 " (cutoff:3.500A) Processing sheet with id=BK2, first strand: chain '5' and resid 75 through 78 removed outlier: 7.598A pdb=" N THR 5 107 " --> pdb=" O TYR 5 211 " (cutoff:3.500A) removed outlier: 8.001A pdb=" N TYR 5 211 " --> pdb=" O THR 5 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP 5 109 " --> pdb=" O TYR 5 209 " (cutoff:3.500A) Processing sheet with id=BK3, first strand: chain '5' and resid 75 through 78 removed outlier: 6.448A pdb=" N LEU 5 486 " --> pdb=" O PRO 5 108 " (cutoff:3.500A) removed outlier: 4.248A pdb=" N LEU 5 482 " --> pdb=" O LEU 5 112 " (cutoff:3.500A) Processing sheet with id=BK4, first strand: chain '5' and resid 155 through 157 Processing sheet with id=BK5, first strand: chain '5' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP 5 220 " --> pdb=" O TRP 5 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP 5 230 " --> pdb=" O ASP 5 220 " (cutoff:3.500A) removed outlier: 6.222A pdb=" N ASN 5 222 " --> pdb=" O ASN 5 228 " (cutoff:3.500A) Processing sheet with id=BK6, first strand: chain '5' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR 5 278 " --> pdb=" O ASN 5 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BK6 Processing sheet with id=BK7, first strand: chain '5' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS 5 330 " --> pdb=" O ALA 5 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BK7 Processing sheet with id=BK8, first strand: chain '5' and resid 348 through 349 removed outlier: 3.608A pdb=" N HIS a 413 " --> pdb=" O TRP a 428 " (cutoff:3.500A) Processing sheet with id=BK9, first strand: chain '5' and resid 427 through 428 removed outlier: 3.608A pdb=" N HIS 5 413 " --> pdb=" O TRP 5 428 " (cutoff:3.500A) Processing sheet with id=BL1, first strand: chain '5' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY 5 456 " --> pdb=" O LEU 5 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BL1 Processing sheet with id=BL2, first strand: chain 'a' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU u 482 " --> pdb=" O LEU u 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU u 486 " --> pdb=" O PRO u 108 " (cutoff:3.500A) Processing sheet with id=BL3, first strand: chain 'a' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU u 482 " --> pdb=" O LEU u 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU u 486 " --> pdb=" O PRO u 108 " (cutoff:3.500A) removed outlier: 7.599A pdb=" N THR u 107 " --> pdb=" O TYR u 211 " (cutoff:3.500A) removed outlier: 8.001A pdb=" N TYR u 211 " --> pdb=" O THR u 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP u 109 " --> pdb=" O TYR u 209 " (cutoff:3.500A) Processing sheet with id=BL4, first strand: chain 'a' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP a 511 " --> pdb=" O ILE a 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE a 145 " --> pdb=" O TRP a 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER a 513 " --> pdb=" O GLN a 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN a 143 " --> pdb=" O SER a 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS a 515 " --> pdb=" O PHE a 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE a 141 " --> pdb=" O LYS a 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE a 517 " --> pdb=" O SER a 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU a 135 " --> pdb=" O LYS a 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER a 139 " --> pdb=" O ILE a 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE a 268 " --> pdb=" O SER a 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE a 141 " --> pdb=" O LYS a 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS a 266 " --> pdb=" O PHE a 141 " (cutoff:3.500A) removed outlier: 4.692A pdb=" N GLN a 143 " --> pdb=" O SER a 264 " (cutoff:3.500A) removed outlier: 4.661A pdb=" N SER a 264 " --> pdb=" O GLN a 143 " (cutoff:3.500A) Processing sheet with id=BL5, first strand: chain 'a' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN a 167 " --> pdb=" O THR a 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP a 511 " --> pdb=" O ILE a 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE a 145 " --> pdb=" O TRP a 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER a 513 " --> pdb=" O GLN a 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN a 143 " --> pdb=" O SER a 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS a 515 " --> pdb=" O PHE a 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE a 141 " --> pdb=" O LYS a 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE a 517 " --> pdb=" O SER a 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU a 135 " --> pdb=" O LYS a 521 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N ILE a 136 " --> pdb=" O ALA a 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA a 274 " --> pdb=" O ILE a 136 " (cutoff:3.500A) Processing sheet with id=BL6, first strand: chain 'a' and resid 75 through 78 removed outlier: 7.598A pdb=" N THR a 107 " --> pdb=" O TYR a 211 " (cutoff:3.500A) removed outlier: 8.001A pdb=" N TYR a 211 " --> pdb=" O THR a 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP a 109 " --> pdb=" O TYR a 209 " (cutoff:3.500A) Processing sheet with id=BL7, first strand: chain 'a' and resid 75 through 78 removed outlier: 6.448A pdb=" N LEU a 486 " --> pdb=" O PRO a 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEU a 482 " --> pdb=" O LEU a 112 " (cutoff:3.500A) Processing sheet with id=BL8, first strand: chain 'a' and resid 155 through 157 Processing sheet with id=BL9, first strand: chain 'a' and resid 219 through 223 removed outlier: 6.509A pdb=" N ASP a 220 " --> pdb=" O TRP a 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP a 230 " --> pdb=" O ASP a 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN a 222 " --> pdb=" O ASN a 228 " (cutoff:3.500A) Processing sheet with id=BM1, first strand: chain 'a' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR a 278 " --> pdb=" O ASN a 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BM1 Processing sheet with id=BM2, first strand: chain 'a' and resid 330 through 331 removed outlier: 6.657A pdb=" N HIS a 330 " --> pdb=" O ALA a 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BM2 Processing sheet with id=BM3, first strand: chain 'a' and resid 348 through 349 removed outlier: 3.608A pdb=" N HIS b 413 " --> pdb=" O TRP b 428 " (cutoff:3.500A) Processing sheet with id=BM4, first strand: chain 'a' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY a 456 " --> pdb=" O LEU a 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BM4 Processing sheet with id=BM5, first strand: chain 'b' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU c 482 " --> pdb=" O LEU c 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU c 486 " --> pdb=" O PRO c 108 " (cutoff:3.500A) Processing sheet with id=BM6, first strand: chain 'b' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU c 482 " --> pdb=" O LEU c 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU c 486 " --> pdb=" O PRO c 108 " (cutoff:3.500A) removed outlier: 7.599A pdb=" N THR c 107 " --> pdb=" O TYR c 211 " (cutoff:3.500A) removed outlier: 8.001A pdb=" N TYR c 211 " --> pdb=" O THR c 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP c 109 " --> pdb=" O TYR c 209 " (cutoff:3.500A) Processing sheet with id=BM7, first strand: chain 'b' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP b 511 " --> pdb=" O ILE b 145 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N ILE b 145 " --> pdb=" O TRP b 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER b 513 " --> pdb=" O GLN b 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN b 143 " --> pdb=" O SER b 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS b 515 " --> pdb=" O PHE b 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE b 141 " --> pdb=" O LYS b 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE b 517 " --> pdb=" O SER b 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU b 135 " --> pdb=" O LYS b 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER b 139 " --> pdb=" O ILE b 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE b 268 " --> pdb=" O SER b 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE b 141 " --> pdb=" O LYS b 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS b 266 " --> pdb=" O PHE b 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN b 143 " --> pdb=" O SER b 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER b 264 " --> pdb=" O GLN b 143 " (cutoff:3.500A) Processing sheet with id=BM8, first strand: chain 'b' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN b 167 " --> pdb=" O THR b 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP b 511 " --> pdb=" O ILE b 145 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N ILE b 145 " --> pdb=" O TRP b 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER b 513 " --> pdb=" O GLN b 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN b 143 " --> pdb=" O SER b 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS b 515 " --> pdb=" O PHE b 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE b 141 " --> pdb=" O LYS b 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE b 517 " --> pdb=" O SER b 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU b 135 " --> pdb=" O LYS b 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE b 136 " --> pdb=" O ALA b 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA b 274 " --> pdb=" O ILE b 136 " (cutoff:3.500A) Processing sheet with id=BM9, first strand: chain 'b' and resid 155 through 157 Processing sheet with id=BN1, first strand: chain 'b' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP b 220 " --> pdb=" O TRP b 230 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N TRP b 230 " --> pdb=" O ASP b 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN b 222 " --> pdb=" O ASN b 228 " (cutoff:3.500A) Processing sheet with id=BN2, first strand: chain 'b' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR b 278 " --> pdb=" O ASN b 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BN2 Processing sheet with id=BN3, first strand: chain 'b' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS b 330 " --> pdb=" O ALA b 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BN3 Processing sheet with id=BN4, first strand: chain 'b' and resid 456 through 457 removed outlier: 7.071A pdb=" N GLY b 456 " --> pdb=" O LEU b 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BN4 Processing sheet with id=BN5, first strand: chain 'c' and resid 45 through 49 removed outlier: 6.811A pdb=" N TRP c 511 " --> pdb=" O ILE c 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE c 145 " --> pdb=" O TRP c 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER c 513 " --> pdb=" O GLN c 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN c 143 " --> pdb=" O SER c 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS c 515 " --> pdb=" O PHE c 141 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N PHE c 141 " --> pdb=" O LYS c 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE c 517 " --> pdb=" O SER c 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU c 135 " --> pdb=" O LYS c 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER c 139 " --> pdb=" O ILE c 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE c 268 " --> pdb=" O SER c 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE c 141 " --> pdb=" O LYS c 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS c 266 " --> pdb=" O PHE c 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN c 143 " --> pdb=" O SER c 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER c 264 " --> pdb=" O GLN c 143 " (cutoff:3.500A) Processing sheet with id=BN6, first strand: chain 'c' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN c 167 " --> pdb=" O THR c 152 " (cutoff:3.500A) removed outlier: 6.811A pdb=" N TRP c 511 " --> pdb=" O ILE c 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE c 145 " --> pdb=" O TRP c 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER c 513 " --> pdb=" O GLN c 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN c 143 " --> pdb=" O SER c 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS c 515 " --> pdb=" O PHE c 141 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N PHE c 141 " --> pdb=" O LYS c 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE c 517 " --> pdb=" O SER c 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU c 135 " --> pdb=" O LYS c 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE c 136 " --> pdb=" O ALA c 274 " (cutoff:3.500A) removed outlier: 3.947A pdb=" N ALA c 274 " --> pdb=" O ILE c 136 " (cutoff:3.500A) Processing sheet with id=BN7, first strand: chain 'c' and resid 155 through 157 Processing sheet with id=BN8, first strand: chain 'c' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP c 220 " --> pdb=" O TRP c 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP c 230 " --> pdb=" O ASP c 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN c 222 " --> pdb=" O ASN c 228 " (cutoff:3.500A) Processing sheet with id=BN9, first strand: chain 'c' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR c 278 " --> pdb=" O ASN c 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BN9 Processing sheet with id=BO1, first strand: chain 'c' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS c 330 " --> pdb=" O ALA c 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BO1 Processing sheet with id=BO2, first strand: chain 'c' and resid 348 through 349 removed outlier: 3.608A pdb=" N HIS e 413 " --> pdb=" O TRP e 428 " (cutoff:3.500A) Processing sheet with id=BO3, first strand: chain 'c' and resid 427 through 428 removed outlier: 3.607A pdb=" N HIS c 413 " --> pdb=" O TRP c 428 " (cutoff:3.500A) Processing sheet with id=BO4, first strand: chain 'c' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY c 456 " --> pdb=" O LEU c 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BO4 Processing sheet with id=BO5, first strand: chain 'd' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU r 482 " --> pdb=" O LEU r 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU r 486 " --> pdb=" O PRO r 108 " (cutoff:3.500A) Processing sheet with id=BO6, first strand: chain 'd' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU r 482 " --> pdb=" O LEU r 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU r 486 " --> pdb=" O PRO r 108 " (cutoff:3.500A) removed outlier: 7.598A pdb=" N THR r 107 " --> pdb=" O TYR r 211 " (cutoff:3.500A) removed outlier: 8.001A pdb=" N TYR r 211 " --> pdb=" O THR r 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP r 109 " --> pdb=" O TYR r 209 " (cutoff:3.500A) Processing sheet with id=BO7, first strand: chain 'd' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP d 511 " --> pdb=" O ILE d 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE d 145 " --> pdb=" O TRP d 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER d 513 " --> pdb=" O GLN d 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN d 143 " --> pdb=" O SER d 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS d 515 " --> pdb=" O PHE d 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE d 141 " --> pdb=" O LYS d 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE d 517 " --> pdb=" O SER d 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU d 135 " --> pdb=" O LYS d 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER d 139 " --> pdb=" O ILE d 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE d 268 " --> pdb=" O SER d 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE d 141 " --> pdb=" O LYS d 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS d 266 " --> pdb=" O PHE d 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN d 143 " --> pdb=" O SER d 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER d 264 " --> pdb=" O GLN d 143 " (cutoff:3.500A) Processing sheet with id=BO8, first strand: chain 'd' and resid 167 through 168 removed outlier: 3.519A pdb=" N ASN d 167 " --> pdb=" O THR d 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP d 511 " --> pdb=" O ILE d 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE d 145 " --> pdb=" O TRP d 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER d 513 " --> pdb=" O GLN d 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN d 143 " --> pdb=" O SER d 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS d 515 " --> pdb=" O PHE d 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE d 141 " --> pdb=" O LYS d 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE d 517 " --> pdb=" O SER d 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU d 135 " --> pdb=" O LYS d 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE d 136 " --> pdb=" O ALA d 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA d 274 " --> pdb=" O ILE d 136 " (cutoff:3.500A) Processing sheet with id=BO9, first strand: chain 'd' and resid 75 through 78 removed outlier: 7.598A pdb=" N THR d 107 " --> pdb=" O TYR d 211 " (cutoff:3.500A) removed outlier: 8.003A pdb=" N TYR d 211 " --> pdb=" O THR d 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP d 109 " --> pdb=" O TYR d 209 " (cutoff:3.500A) Processing sheet with id=BP1, first strand: chain 'd' and resid 75 through 78 removed outlier: 6.448A pdb=" N LEU d 486 " --> pdb=" O PRO d 108 " (cutoff:3.500A) removed outlier: 4.248A pdb=" N LEU d 482 " --> pdb=" O LEU d 112 " (cutoff:3.500A) Processing sheet with id=BP2, first strand: chain 'd' and resid 155 through 157 Processing sheet with id=BP3, first strand: chain 'd' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP d 220 " --> pdb=" O TRP d 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP d 230 " --> pdb=" O ASP d 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN d 222 " --> pdb=" O ASN d 228 " (cutoff:3.500A) Processing sheet with id=BP4, first strand: chain 'd' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR d 278 " --> pdb=" O ASN d 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BP4 Processing sheet with id=BP5, first strand: chain 'd' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS d 330 " --> pdb=" O ALA d 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BP5 Processing sheet with id=BP6, first strand: chain 'd' and resid 427 through 428 removed outlier: 3.608A pdb=" N HIS d 413 " --> pdb=" O TRP d 428 " (cutoff:3.500A) Processing sheet with id=BP7, first strand: chain 'd' and resid 456 through 457 removed outlier: 7.071A pdb=" N GLY d 456 " --> pdb=" O LEU d 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BP7 Processing sheet with id=BP8, first strand: chain 'e' and resid 45 through 49 removed outlier: 6.811A pdb=" N TRP e 511 " --> pdb=" O ILE e 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE e 145 " --> pdb=" O TRP e 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER e 513 " --> pdb=" O GLN e 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN e 143 " --> pdb=" O SER e 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS e 515 " --> pdb=" O PHE e 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE e 141 " --> pdb=" O LYS e 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE e 517 " --> pdb=" O SER e 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU e 135 " --> pdb=" O LYS e 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER e 139 " --> pdb=" O ILE e 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE e 268 " --> pdb=" O SER e 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE e 141 " --> pdb=" O LYS e 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS e 266 " --> pdb=" O PHE e 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN e 143 " --> pdb=" O SER e 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER e 264 " --> pdb=" O GLN e 143 " (cutoff:3.500A) Processing sheet with id=BP9, first strand: chain 'e' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN e 167 " --> pdb=" O THR e 152 " (cutoff:3.500A) removed outlier: 6.811A pdb=" N TRP e 511 " --> pdb=" O ILE e 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE e 145 " --> pdb=" O TRP e 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER e 513 " --> pdb=" O GLN e 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN e 143 " --> pdb=" O SER e 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS e 515 " --> pdb=" O PHE e 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE e 141 " --> pdb=" O LYS e 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE e 517 " --> pdb=" O SER e 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU e 135 " --> pdb=" O LYS e 521 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N ILE e 136 " --> pdb=" O ALA e 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA e 274 " --> pdb=" O ILE e 136 " (cutoff:3.500A) Processing sheet with id=BQ1, first strand: chain 'e' and resid 75 through 78 removed outlier: 7.599A pdb=" N THR e 107 " --> pdb=" O TYR e 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR e 211 " --> pdb=" O THR e 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP e 109 " --> pdb=" O TYR e 209 " (cutoff:3.500A) Processing sheet with id=BQ2, first strand: chain 'e' and resid 75 through 78 removed outlier: 6.449A pdb=" N LEU e 486 " --> pdb=" O PRO e 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEU e 482 " --> pdb=" O LEU e 112 " (cutoff:3.500A) Processing sheet with id=BQ3, first strand: chain 'e' and resid 155 through 157 Processing sheet with id=BQ4, first strand: chain 'e' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP e 220 " --> pdb=" O TRP e 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP e 230 " --> pdb=" O ASP e 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN e 222 " --> pdb=" O ASN e 228 " (cutoff:3.500A) Processing sheet with id=BQ5, first strand: chain 'e' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR e 278 " --> pdb=" O ASN e 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BQ5 Processing sheet with id=BQ6, first strand: chain 'e' and resid 330 through 331 removed outlier: 6.659A pdb=" N HIS e 330 " --> pdb=" O ALA e 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BQ6 Processing sheet with id=BQ7, first strand: chain 'e' and resid 456 through 457 removed outlier: 7.069A pdb=" N GLY e 456 " --> pdb=" O LEU e 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BQ7 Processing sheet with id=BQ8, first strand: chain 'f' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP f 511 " --> pdb=" O ILE f 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE f 145 " --> pdb=" O TRP f 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER f 513 " --> pdb=" O GLN f 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN f 143 " --> pdb=" O SER f 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS f 515 " --> pdb=" O PHE f 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE f 141 " --> pdb=" O LYS f 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE f 517 " --> pdb=" O SER f 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU f 135 " --> pdb=" O LYS f 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER f 139 " --> pdb=" O ILE f 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE f 268 " --> pdb=" O SER f 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE f 141 " --> pdb=" O LYS f 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS f 266 " --> pdb=" O PHE f 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN f 143 " --> pdb=" O SER f 264 " (cutoff:3.500A) removed outlier: 4.661A pdb=" N SER f 264 " --> pdb=" O GLN f 143 " (cutoff:3.500A) Processing sheet with id=BQ9, first strand: chain 'f' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN f 167 " --> pdb=" O THR f 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP f 511 " --> pdb=" O ILE f 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE f 145 " --> pdb=" O TRP f 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER f 513 " --> pdb=" O GLN f 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN f 143 " --> pdb=" O SER f 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS f 515 " --> pdb=" O PHE f 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE f 141 " --> pdb=" O LYS f 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE f 517 " --> pdb=" O SER f 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU f 135 " --> pdb=" O LYS f 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE f 136 " --> pdb=" O ALA f 274 " (cutoff:3.500A) removed outlier: 3.947A pdb=" N ALA f 274 " --> pdb=" O ILE f 136 " (cutoff:3.500A) Processing sheet with id=BR1, first strand: chain 'f' and resid 75 through 78 removed outlier: 7.598A pdb=" N THR f 107 " --> pdb=" O TYR f 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR f 211 " --> pdb=" O THR f 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP f 109 " --> pdb=" O TYR f 209 " (cutoff:3.500A) Processing sheet with id=BR2, first strand: chain 'f' and resid 75 through 78 removed outlier: 6.447A pdb=" N LEU f 486 " --> pdb=" O PRO f 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEU f 482 " --> pdb=" O LEU f 112 " (cutoff:3.500A) Processing sheet with id=BR3, first strand: chain 'f' and resid 155 through 157 Processing sheet with id=BR4, first strand: chain 'f' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP f 220 " --> pdb=" O TRP f 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP f 230 " --> pdb=" O ASP f 220 " (cutoff:3.500A) removed outlier: 6.222A pdb=" N ASN f 222 " --> pdb=" O ASN f 228 " (cutoff:3.500A) Processing sheet with id=BR5, first strand: chain 'f' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR f 278 " --> pdb=" O ASN f 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BR5 Processing sheet with id=BR6, first strand: chain 'f' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS f 330 " --> pdb=" O ALA f 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BR6 Processing sheet with id=BR7, first strand: chain 'f' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY f 456 " --> pdb=" O LEU f 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BR7 Processing sheet with id=BR8, first strand: chain 'g' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU m 482 " --> pdb=" O LEU m 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU m 486 " --> pdb=" O PRO m 108 " (cutoff:3.500A) Processing sheet with id=BR9, first strand: chain 'g' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU m 482 " --> pdb=" O LEU m 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU m 486 " --> pdb=" O PRO m 108 " (cutoff:3.500A) removed outlier: 7.598A pdb=" N THR m 107 " --> pdb=" O TYR m 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR m 211 " --> pdb=" O THR m 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP m 109 " --> pdb=" O TYR m 209 " (cutoff:3.500A) Processing sheet with id=BS1, first strand: chain 'g' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP g 511 " --> pdb=" O ILE g 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE g 145 " --> pdb=" O TRP g 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER g 513 " --> pdb=" O GLN g 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN g 143 " --> pdb=" O SER g 513 " (cutoff:3.500A) removed outlier: 6.640A pdb=" N LYS g 515 " --> pdb=" O PHE g 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE g 141 " --> pdb=" O LYS g 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE g 517 " --> pdb=" O SER g 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU g 135 " --> pdb=" O LYS g 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER g 139 " --> pdb=" O ILE g 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE g 268 " --> pdb=" O SER g 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE g 141 " --> pdb=" O LYS g 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS g 266 " --> pdb=" O PHE g 141 " (cutoff:3.500A) removed outlier: 4.690A pdb=" N GLN g 143 " --> pdb=" O SER g 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER g 264 " --> pdb=" O GLN g 143 " (cutoff:3.500A) Processing sheet with id=BS2, first strand: chain 'g' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN g 167 " --> pdb=" O THR g 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP g 511 " --> pdb=" O ILE g 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE g 145 " --> pdb=" O TRP g 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER g 513 " --> pdb=" O GLN g 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN g 143 " --> pdb=" O SER g 513 " (cutoff:3.500A) removed outlier: 6.640A pdb=" N LYS g 515 " --> pdb=" O PHE g 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE g 141 " --> pdb=" O LYS g 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE g 517 " --> pdb=" O SER g 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU g 135 " --> pdb=" O LYS g 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE g 136 " --> pdb=" O ALA g 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA g 274 " --> pdb=" O ILE g 136 " (cutoff:3.500A) Processing sheet with id=BS3, first strand: chain 'g' and resid 155 through 157 Processing sheet with id=BS4, first strand: chain 'g' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP g 220 " --> pdb=" O TRP g 230 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N TRP g 230 " --> pdb=" O ASP g 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN g 222 " --> pdb=" O ASN g 228 " (cutoff:3.500A) Processing sheet with id=BS5, first strand: chain 'g' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR g 278 " --> pdb=" O ASN g 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BS5 Processing sheet with id=BS6, first strand: chain 'g' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS g 330 " --> pdb=" O ALA g 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BS6 Processing sheet with id=BS7, first strand: chain 'g' and resid 427 through 428 removed outlier: 3.608A pdb=" N HIS g 413 " --> pdb=" O TRP g 428 " (cutoff:3.500A) Processing sheet with id=BS8, first strand: chain 'g' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY g 456 " --> pdb=" O LEU g 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BS8 Processing sheet with id=BS9, first strand: chain 'h' and resid 45 through 49 removed outlier: 6.811A pdb=" N TRP h 511 " --> pdb=" O ILE h 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE h 145 " --> pdb=" O TRP h 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER h 513 " --> pdb=" O GLN h 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN h 143 " --> pdb=" O SER h 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS h 515 " --> pdb=" O PHE h 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE h 141 " --> pdb=" O LYS h 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE h 517 " --> pdb=" O SER h 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU h 135 " --> pdb=" O LYS h 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER h 139 " --> pdb=" O ILE h 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE h 268 " --> pdb=" O SER h 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE h 141 " --> pdb=" O LYS h 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS h 266 " --> pdb=" O PHE h 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN h 143 " --> pdb=" O SER h 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER h 264 " --> pdb=" O GLN h 143 " (cutoff:3.500A) Processing sheet with id=BT1, first strand: chain 'h' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN h 167 " --> pdb=" O THR h 152 " (cutoff:3.500A) removed outlier: 6.811A pdb=" N TRP h 511 " --> pdb=" O ILE h 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE h 145 " --> pdb=" O TRP h 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER h 513 " --> pdb=" O GLN h 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN h 143 " --> pdb=" O SER h 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS h 515 " --> pdb=" O PHE h 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE h 141 " --> pdb=" O LYS h 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE h 517 " --> pdb=" O SER h 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU h 135 " --> pdb=" O LYS h 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE h 136 " --> pdb=" O ALA h 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA h 274 " --> pdb=" O ILE h 136 " (cutoff:3.500A) Processing sheet with id=BT2, first strand: chain 'h' and resid 75 through 78 removed outlier: 7.599A pdb=" N THR h 107 " --> pdb=" O TYR h 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR h 211 " --> pdb=" O THR h 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP h 109 " --> pdb=" O TYR h 209 " (cutoff:3.500A) Processing sheet with id=BT3, first strand: chain 'h' and resid 75 through 78 removed outlier: 6.447A pdb=" N LEU h 486 " --> pdb=" O PRO h 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEU h 482 " --> pdb=" O LEU h 112 " (cutoff:3.500A) Processing sheet with id=BT4, first strand: chain 'h' and resid 155 through 157 Processing sheet with id=BT5, first strand: chain 'h' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP h 220 " --> pdb=" O TRP h 230 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N TRP h 230 " --> pdb=" O ASP h 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN h 222 " --> pdb=" O ASN h 228 " (cutoff:3.500A) Processing sheet with id=BT6, first strand: chain 'h' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR h 278 " --> pdb=" O ASN h 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BT6 Processing sheet with id=BT7, first strand: chain 'h' and resid 330 through 331 removed outlier: 6.657A pdb=" N HIS h 330 " --> pdb=" O ALA h 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BT7 Processing sheet with id=BT8, first strand: chain 'h' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY h 456 " --> pdb=" O LEU h 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BT8 Processing sheet with id=BT9, first strand: chain 'i' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU 6 482 " --> pdb=" O LEU 6 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU 6 486 " --> pdb=" O PRO 6 108 " (cutoff:3.500A) Processing sheet with id=BU1, first strand: chain 'i' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU 6 482 " --> pdb=" O LEU 6 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU 6 486 " --> pdb=" O PRO 6 108 " (cutoff:3.500A) removed outlier: 7.598A pdb=" N THR 6 107 " --> pdb=" O TYR 6 211 " (cutoff:3.500A) removed outlier: 8.001A pdb=" N TYR 6 211 " --> pdb=" O THR 6 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP 6 109 " --> pdb=" O TYR 6 209 " (cutoff:3.500A) Processing sheet with id=BU2, first strand: chain 'i' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP i 511 " --> pdb=" O ILE i 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE i 145 " --> pdb=" O TRP i 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER i 513 " --> pdb=" O GLN i 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN i 143 " --> pdb=" O SER i 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS i 515 " --> pdb=" O PHE i 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE i 141 " --> pdb=" O LYS i 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE i 517 " --> pdb=" O SER i 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU i 135 " --> pdb=" O LYS i 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER i 139 " --> pdb=" O ILE i 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE i 268 " --> pdb=" O SER i 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE i 141 " --> pdb=" O LYS i 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS i 266 " --> pdb=" O PHE i 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN i 143 " --> pdb=" O SER i 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER i 264 " --> pdb=" O GLN i 143 " (cutoff:3.500A) Processing sheet with id=BU3, first strand: chain 'i' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN i 167 " --> pdb=" O THR i 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP i 511 " --> pdb=" O ILE i 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE i 145 " --> pdb=" O TRP i 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER i 513 " --> pdb=" O GLN i 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN i 143 " --> pdb=" O SER i 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS i 515 " --> pdb=" O PHE i 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE i 141 " --> pdb=" O LYS i 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE i 517 " --> pdb=" O SER i 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU i 135 " --> pdb=" O LYS i 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE i 136 " --> pdb=" O ALA i 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA i 274 " --> pdb=" O ILE i 136 " (cutoff:3.500A) Processing sheet with id=BU4, first strand: chain 'i' and resid 155 through 157 Processing sheet with id=BU5, first strand: chain 'i' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP i 220 " --> pdb=" O TRP i 230 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N TRP i 230 " --> pdb=" O ASP i 220 " (cutoff:3.500A) removed outlier: 6.222A pdb=" N ASN i 222 " --> pdb=" O ASN i 228 " (cutoff:3.500A) Processing sheet with id=BU6, first strand: chain 'i' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR i 278 " --> pdb=" O ASN i 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BU6 Processing sheet with id=BU7, first strand: chain 'i' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS i 330 " --> pdb=" O ALA i 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BU7 Processing sheet with id=BU8, first strand: chain 'i' and resid 427 through 428 removed outlier: 3.608A pdb=" N HIS i 413 " --> pdb=" O TRP i 428 " (cutoff:3.500A) Processing sheet with id=BU9, first strand: chain 'i' and resid 456 through 457 removed outlier: 7.071A pdb=" N GLY i 456 " --> pdb=" O LEU i 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BU9 Processing sheet with id=BV1, first strand: chain 'j' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU k 482 " --> pdb=" O LEU k 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU k 486 " --> pdb=" O PRO k 108 " (cutoff:3.500A) Processing sheet with id=BV2, first strand: chain 'j' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU k 482 " --> pdb=" O LEU k 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU k 486 " --> pdb=" O PRO k 108 " (cutoff:3.500A) removed outlier: 7.599A pdb=" N THR k 107 " --> pdb=" O TYR k 211 " (cutoff:3.500A) removed outlier: 8.001A pdb=" N TYR k 211 " --> pdb=" O THR k 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP k 109 " --> pdb=" O TYR k 209 " (cutoff:3.500A) Processing sheet with id=BV3, first strand: chain 'j' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP j 511 " --> pdb=" O ILE j 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE j 145 " --> pdb=" O TRP j 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER j 513 " --> pdb=" O GLN j 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN j 143 " --> pdb=" O SER j 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS j 515 " --> pdb=" O PHE j 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE j 141 " --> pdb=" O LYS j 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE j 517 " --> pdb=" O SER j 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU j 135 " --> pdb=" O LYS j 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER j 139 " --> pdb=" O ILE j 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE j 268 " --> pdb=" O SER j 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE j 141 " --> pdb=" O LYS j 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS j 266 " --> pdb=" O PHE j 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN j 143 " --> pdb=" O SER j 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER j 264 " --> pdb=" O GLN j 143 " (cutoff:3.500A) Processing sheet with id=BV4, first strand: chain 'j' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN j 167 " --> pdb=" O THR j 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP j 511 " --> pdb=" O ILE j 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE j 145 " --> pdb=" O TRP j 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER j 513 " --> pdb=" O GLN j 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN j 143 " --> pdb=" O SER j 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS j 515 " --> pdb=" O PHE j 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE j 141 " --> pdb=" O LYS j 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE j 517 " --> pdb=" O SER j 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU j 135 " --> pdb=" O LYS j 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE j 136 " --> pdb=" O ALA j 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA j 274 " --> pdb=" O ILE j 136 " (cutoff:3.500A) Processing sheet with id=BV5, first strand: chain 'j' and resid 75 through 78 removed outlier: 7.599A pdb=" N THR j 107 " --> pdb=" O TYR j 211 " (cutoff:3.500A) removed outlier: 8.001A pdb=" N TYR j 211 " --> pdb=" O THR j 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP j 109 " --> pdb=" O TYR j 209 " (cutoff:3.500A) Processing sheet with id=BV6, first strand: chain 'j' and resid 75 through 78 removed outlier: 6.448A pdb=" N LEU j 486 " --> pdb=" O PRO j 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEU j 482 " --> pdb=" O LEU j 112 " (cutoff:3.500A) Processing sheet with id=BV7, first strand: chain 'j' and resid 155 through 157 Processing sheet with id=BV8, first strand: chain 'j' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP j 220 " --> pdb=" O TRP j 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP j 230 " --> pdb=" O ASP j 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN j 222 " --> pdb=" O ASN j 228 " (cutoff:3.500A) Processing sheet with id=BV9, first strand: chain 'j' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR j 278 " --> pdb=" O ASN j 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BV9 Processing sheet with id=BW1, first strand: chain 'j' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS j 330 " --> pdb=" O ALA j 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BW1 Processing sheet with id=BW2, first strand: chain 'j' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY j 456 " --> pdb=" O LEU j 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BW2 Processing sheet with id=BW3, first strand: chain 'k' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU s 482 " --> pdb=" O LEU s 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU s 486 " --> pdb=" O PRO s 108 " (cutoff:3.500A) Processing sheet with id=BW4, first strand: chain 'k' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU s 482 " --> pdb=" O LEU s 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU s 486 " --> pdb=" O PRO s 108 " (cutoff:3.500A) removed outlier: 7.599A pdb=" N THR s 107 " --> pdb=" O TYR s 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR s 211 " --> pdb=" O THR s 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP s 109 " --> pdb=" O TYR s 209 " (cutoff:3.500A) Processing sheet with id=BW5, first strand: chain 'k' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP k 511 " --> pdb=" O ILE k 145 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N ILE k 145 " --> pdb=" O TRP k 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER k 513 " --> pdb=" O GLN k 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN k 143 " --> pdb=" O SER k 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS k 515 " --> pdb=" O PHE k 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE k 141 " --> pdb=" O LYS k 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE k 517 " --> pdb=" O SER k 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU k 135 " --> pdb=" O LYS k 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER k 139 " --> pdb=" O ILE k 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE k 268 " --> pdb=" O SER k 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE k 141 " --> pdb=" O LYS k 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS k 266 " --> pdb=" O PHE k 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN k 143 " --> pdb=" O SER k 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER k 264 " --> pdb=" O GLN k 143 " (cutoff:3.500A) Processing sheet with id=BW6, first strand: chain 'k' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN k 167 " --> pdb=" O THR k 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP k 511 " --> pdb=" O ILE k 145 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N ILE k 145 " --> pdb=" O TRP k 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER k 513 " --> pdb=" O GLN k 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN k 143 " --> pdb=" O SER k 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS k 515 " --> pdb=" O PHE k 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE k 141 " --> pdb=" O LYS k 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE k 517 " --> pdb=" O SER k 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU k 135 " --> pdb=" O LYS k 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE k 136 " --> pdb=" O ALA k 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA k 274 " --> pdb=" O ILE k 136 " (cutoff:3.500A) Processing sheet with id=BW7, first strand: chain 'k' and resid 155 through 157 Processing sheet with id=BW8, first strand: chain 'k' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP k 220 " --> pdb=" O TRP k 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP k 230 " --> pdb=" O ASP k 220 " (cutoff:3.500A) removed outlier: 6.222A pdb=" N ASN k 222 " --> pdb=" O ASN k 228 " (cutoff:3.500A) Processing sheet with id=BW9, first strand: chain 'k' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR k 278 " --> pdb=" O ASN k 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BW9 Processing sheet with id=BX1, first strand: chain 'k' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS k 330 " --> pdb=" O ALA k 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BX1 Processing sheet with id=BX2, first strand: chain 'k' and resid 348 through 349 removed outlier: 3.608A pdb=" N HIS m 413 " --> pdb=" O TRP m 428 " (cutoff:3.500A) Processing sheet with id=BX3, first strand: chain 'k' and resid 427 through 428 removed outlier: 3.607A pdb=" N HIS k 413 " --> pdb=" O TRP k 428 " (cutoff:3.500A) Processing sheet with id=BX4, first strand: chain 'k' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY k 456 " --> pdb=" O LEU k 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BX4 Processing sheet with id=BX5, first strand: chain 'l' and resid 45 through 49 removed outlier: 6.809A pdb=" N TRP l 511 " --> pdb=" O ILE l 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE l 145 " --> pdb=" O TRP l 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER l 513 " --> pdb=" O GLN l 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN l 143 " --> pdb=" O SER l 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS l 515 " --> pdb=" O PHE l 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE l 141 " --> pdb=" O LYS l 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE l 517 " --> pdb=" O SER l 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU l 135 " --> pdb=" O LYS l 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER l 139 " --> pdb=" O ILE l 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE l 268 " --> pdb=" O SER l 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE l 141 " --> pdb=" O LYS l 266 " (cutoff:3.500A) removed outlier: 4.840A pdb=" N LYS l 266 " --> pdb=" O PHE l 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN l 143 " --> pdb=" O SER l 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER l 264 " --> pdb=" O GLN l 143 " (cutoff:3.500A) Processing sheet with id=BX6, first strand: chain 'l' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN l 167 " --> pdb=" O THR l 152 " (cutoff:3.500A) removed outlier: 6.809A pdb=" N TRP l 511 " --> pdb=" O ILE l 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE l 145 " --> pdb=" O TRP l 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER l 513 " --> pdb=" O GLN l 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN l 143 " --> pdb=" O SER l 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS l 515 " --> pdb=" O PHE l 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE l 141 " --> pdb=" O LYS l 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE l 517 " --> pdb=" O SER l 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU l 135 " --> pdb=" O LYS l 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE l 136 " --> pdb=" O ALA l 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA l 274 " --> pdb=" O ILE l 136 " (cutoff:3.500A) Processing sheet with id=BX7, first strand: chain 'l' and resid 75 through 78 removed outlier: 7.599A pdb=" N THR l 107 " --> pdb=" O TYR l 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR l 211 " --> pdb=" O THR l 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP l 109 " --> pdb=" O TYR l 209 " (cutoff:3.500A) Processing sheet with id=BX8, first strand: chain 'l' and resid 75 through 78 removed outlier: 6.448A pdb=" N LEU l 486 " --> pdb=" O PRO l 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEU l 482 " --> pdb=" O LEU l 112 " (cutoff:3.500A) Processing sheet with id=BX9, first strand: chain 'l' and resid 155 through 157 Processing sheet with id=BY1, first strand: chain 'l' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP l 220 " --> pdb=" O TRP l 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP l 230 " --> pdb=" O ASP l 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN l 222 " --> pdb=" O ASN l 228 " (cutoff:3.500A) Processing sheet with id=BY2, first strand: chain 'l' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR l 278 " --> pdb=" O ASN l 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BY2 Processing sheet with id=BY3, first strand: chain 'l' and resid 330 through 331 removed outlier: 6.659A pdb=" N HIS l 330 " --> pdb=" O ALA l 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BY3 Processing sheet with id=BY4, first strand: chain 'l' and resid 427 through 428 removed outlier: 3.608A pdb=" N HIS l 413 " --> pdb=" O TRP l 428 " (cutoff:3.500A) Processing sheet with id=BY5, first strand: chain 'l' and resid 456 through 457 removed outlier: 7.071A pdb=" N GLY l 456 " --> pdb=" O LEU l 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BY5 Processing sheet with id=BY6, first strand: chain 'm' and resid 45 through 49 removed outlier: 6.811A pdb=" N TRP m 511 " --> pdb=" O ILE m 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE m 145 " --> pdb=" O TRP m 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER m 513 " --> pdb=" O GLN m 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN m 143 " --> pdb=" O SER m 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS m 515 " --> pdb=" O PHE m 141 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N PHE m 141 " --> pdb=" O LYS m 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE m 517 " --> pdb=" O SER m 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU m 135 " --> pdb=" O LYS m 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER m 139 " --> pdb=" O ILE m 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE m 268 " --> pdb=" O SER m 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE m 141 " --> pdb=" O LYS m 266 " (cutoff:3.500A) removed outlier: 4.838A pdb=" N LYS m 266 " --> pdb=" O PHE m 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN m 143 " --> pdb=" O SER m 264 " (cutoff:3.500A) removed outlier: 4.661A pdb=" N SER m 264 " --> pdb=" O GLN m 143 " (cutoff:3.500A) Processing sheet with id=BY7, first strand: chain 'm' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN m 167 " --> pdb=" O THR m 152 " (cutoff:3.500A) removed outlier: 6.811A pdb=" N TRP m 511 " --> pdb=" O ILE m 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE m 145 " --> pdb=" O TRP m 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER m 513 " --> pdb=" O GLN m 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN m 143 " --> pdb=" O SER m 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS m 515 " --> pdb=" O PHE m 141 " (cutoff:3.500A) removed outlier: 4.397A pdb=" N PHE m 141 " --> pdb=" O LYS m 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE m 517 " --> pdb=" O SER m 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU m 135 " --> pdb=" O LYS m 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE m 136 " --> pdb=" O ALA m 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA m 274 " --> pdb=" O ILE m 136 " (cutoff:3.500A) Processing sheet with id=BY8, first strand: chain 'm' and resid 155 through 157 Processing sheet with id=BY9, first strand: chain 'm' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP m 220 " --> pdb=" O TRP m 230 " (cutoff:3.500A) removed outlier: 4.308A pdb=" N TRP m 230 " --> pdb=" O ASP m 220 " (cutoff:3.500A) removed outlier: 6.224A pdb=" N ASN m 222 " --> pdb=" O ASN m 228 " (cutoff:3.500A) Processing sheet with id=BZ1, first strand: chain 'm' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR m 278 " --> pdb=" O ASN m 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=BZ1 Processing sheet with id=BZ2, first strand: chain 'm' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS m 330 " --> pdb=" O ALA m 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=BZ2 Processing sheet with id=BZ3, first strand: chain 'm' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY m 456 " --> pdb=" O LEU m 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=BZ3 Processing sheet with id=BZ4, first strand: chain 'n' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU z 482 " --> pdb=" O LEU z 112 " (cutoff:3.500A) removed outlier: 6.449A pdb=" N LEU z 486 " --> pdb=" O PRO z 108 " (cutoff:3.500A) Processing sheet with id=BZ5, first strand: chain 'n' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU z 482 " --> pdb=" O LEU z 112 " (cutoff:3.500A) removed outlier: 6.449A pdb=" N LEU z 486 " --> pdb=" O PRO z 108 " (cutoff:3.500A) removed outlier: 7.599A pdb=" N THR z 107 " --> pdb=" O TYR z 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR z 211 " --> pdb=" O THR z 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP z 109 " --> pdb=" O TYR z 209 " (cutoff:3.500A) Processing sheet with id=BZ6, first strand: chain 'n' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP n 511 " --> pdb=" O ILE n 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE n 145 " --> pdb=" O TRP n 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER n 513 " --> pdb=" O GLN n 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN n 143 " --> pdb=" O SER n 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS n 515 " --> pdb=" O PHE n 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE n 141 " --> pdb=" O LYS n 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE n 517 " --> pdb=" O SER n 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU n 135 " --> pdb=" O LYS n 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER n 139 " --> pdb=" O ILE n 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE n 268 " --> pdb=" O SER n 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE n 141 " --> pdb=" O LYS n 266 " (cutoff:3.500A) removed outlier: 4.840A pdb=" N LYS n 266 " --> pdb=" O PHE n 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN n 143 " --> pdb=" O SER n 264 " (cutoff:3.500A) removed outlier: 4.661A pdb=" N SER n 264 " --> pdb=" O GLN n 143 " (cutoff:3.500A) Processing sheet with id=BZ7, first strand: chain 'n' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN n 167 " --> pdb=" O THR n 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP n 511 " --> pdb=" O ILE n 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE n 145 " --> pdb=" O TRP n 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER n 513 " --> pdb=" O GLN n 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN n 143 " --> pdb=" O SER n 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS n 515 " --> pdb=" O PHE n 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE n 141 " --> pdb=" O LYS n 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE n 517 " --> pdb=" O SER n 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU n 135 " --> pdb=" O LYS n 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE n 136 " --> pdb=" O ALA n 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA n 274 " --> pdb=" O ILE n 136 " (cutoff:3.500A) Processing sheet with id=BZ8, first strand: chain 'n' and resid 75 through 78 removed outlier: 7.599A pdb=" N THR n 107 " --> pdb=" O TYR n 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR n 211 " --> pdb=" O THR n 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP n 109 " --> pdb=" O TYR n 209 " (cutoff:3.500A) Processing sheet with id=BZ9, first strand: chain 'n' and resid 75 through 78 removed outlier: 6.449A pdb=" N LEU n 486 " --> pdb=" O PRO n 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEU n 482 " --> pdb=" O LEU n 112 " (cutoff:3.500A) Processing sheet with id=CA1, first strand: chain 'n' and resid 155 through 157 Processing sheet with id=CA2, first strand: chain 'n' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP n 220 " --> pdb=" O TRP n 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP n 230 " --> pdb=" O ASP n 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN n 222 " --> pdb=" O ASN n 228 " (cutoff:3.500A) Processing sheet with id=CA3, first strand: chain 'n' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR n 278 " --> pdb=" O ASN n 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=CA3 Processing sheet with id=CA4, first strand: chain 'n' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS n 330 " --> pdb=" O ALA n 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=CA4 Processing sheet with id=CA5, first strand: chain 'n' and resid 348 through 349 removed outlier: 3.608A pdb=" N HIS p 413 " --> pdb=" O TRP p 428 " (cutoff:3.500A) Processing sheet with id=CA6, first strand: chain 'n' and resid 427 through 428 removed outlier: 3.608A pdb=" N HIS n 413 " --> pdb=" O TRP n 428 " (cutoff:3.500A) Processing sheet with id=CA7, first strand: chain 'n' and resid 456 through 457 removed outlier: 7.071A pdb=" N GLY n 456 " --> pdb=" O LEU n 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=CA7 Processing sheet with id=CA8, first strand: chain 'o' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU v 482 " --> pdb=" O LEU v 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU v 486 " --> pdb=" O PRO v 108 " (cutoff:3.500A) Processing sheet with id=CA9, first strand: chain 'o' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU v 482 " --> pdb=" O LEU v 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU v 486 " --> pdb=" O PRO v 108 " (cutoff:3.500A) removed outlier: 7.599A pdb=" N THR v 107 " --> pdb=" O TYR v 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR v 211 " --> pdb=" O THR v 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP v 109 " --> pdb=" O TYR v 209 " (cutoff:3.500A) Processing sheet with id=CB1, first strand: chain 'o' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP o 511 " --> pdb=" O ILE o 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE o 145 " --> pdb=" O TRP o 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER o 513 " --> pdb=" O GLN o 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN o 143 " --> pdb=" O SER o 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS o 515 " --> pdb=" O PHE o 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE o 141 " --> pdb=" O LYS o 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE o 517 " --> pdb=" O SER o 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU o 135 " --> pdb=" O LYS o 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER o 139 " --> pdb=" O ILE o 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE o 268 " --> pdb=" O SER o 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE o 141 " --> pdb=" O LYS o 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS o 266 " --> pdb=" O PHE o 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN o 143 " --> pdb=" O SER o 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER o 264 " --> pdb=" O GLN o 143 " (cutoff:3.500A) Processing sheet with id=CB2, first strand: chain 'o' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN o 167 " --> pdb=" O THR o 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP o 511 " --> pdb=" O ILE o 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE o 145 " --> pdb=" O TRP o 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER o 513 " --> pdb=" O GLN o 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN o 143 " --> pdb=" O SER o 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS o 515 " --> pdb=" O PHE o 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE o 141 " --> pdb=" O LYS o 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE o 517 " --> pdb=" O SER o 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU o 135 " --> pdb=" O LYS o 521 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N ILE o 136 " --> pdb=" O ALA o 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA o 274 " --> pdb=" O ILE o 136 " (cutoff:3.500A) Processing sheet with id=CB3, first strand: chain 'o' and resid 75 through 78 removed outlier: 7.598A pdb=" N THR o 107 " --> pdb=" O TYR o 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR o 211 " --> pdb=" O THR o 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP o 109 " --> pdb=" O TYR o 209 " (cutoff:3.500A) Processing sheet with id=CB4, first strand: chain 'o' and resid 75 through 78 removed outlier: 6.449A pdb=" N LEU o 486 " --> pdb=" O PRO o 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEU o 482 " --> pdb=" O LEU o 112 " (cutoff:3.500A) Processing sheet with id=CB5, first strand: chain 'o' and resid 155 through 157 Processing sheet with id=CB6, first strand: chain 'o' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP o 220 " --> pdb=" O TRP o 230 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N TRP o 230 " --> pdb=" O ASP o 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN o 222 " --> pdb=" O ASN o 228 " (cutoff:3.500A) Processing sheet with id=CB7, first strand: chain 'o' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR o 278 " --> pdb=" O ASN o 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=CB7 Processing sheet with id=CB8, first strand: chain 'o' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS o 330 " --> pdb=" O ALA o 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=CB8 Processing sheet with id=CB9, first strand: chain 'o' and resid 427 through 428 removed outlier: 3.608A pdb=" N HIS o 413 " --> pdb=" O TRP o 428 " (cutoff:3.500A) Processing sheet with id=CC1, first strand: chain 'o' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY o 456 " --> pdb=" O LEU o 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=CC1 Processing sheet with id=CC2, first strand: chain 'p' and resid 40 through 41 removed outlier: 4.248A pdb=" N LEU q 482 " --> pdb=" O LEU q 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU q 486 " --> pdb=" O PRO q 108 " (cutoff:3.500A) Processing sheet with id=CC3, first strand: chain 'p' and resid 40 through 41 removed outlier: 4.248A pdb=" N LEU q 482 " --> pdb=" O LEU q 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU q 486 " --> pdb=" O PRO q 108 " (cutoff:3.500A) removed outlier: 7.598A pdb=" N THR q 107 " --> pdb=" O TYR q 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR q 211 " --> pdb=" O THR q 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP q 109 " --> pdb=" O TYR q 209 " (cutoff:3.500A) Processing sheet with id=CC4, first strand: chain 'p' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP p 511 " --> pdb=" O ILE p 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE p 145 " --> pdb=" O TRP p 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER p 513 " --> pdb=" O GLN p 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN p 143 " --> pdb=" O SER p 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS p 515 " --> pdb=" O PHE p 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE p 141 " --> pdb=" O LYS p 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE p 517 " --> pdb=" O SER p 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU p 135 " --> pdb=" O LYS p 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER p 139 " --> pdb=" O ILE p 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE p 268 " --> pdb=" O SER p 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE p 141 " --> pdb=" O LYS p 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS p 266 " --> pdb=" O PHE p 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN p 143 " --> pdb=" O SER p 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER p 264 " --> pdb=" O GLN p 143 " (cutoff:3.500A) Processing sheet with id=CC5, first strand: chain 'p' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN p 167 " --> pdb=" O THR p 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP p 511 " --> pdb=" O ILE p 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE p 145 " --> pdb=" O TRP p 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER p 513 " --> pdb=" O GLN p 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN p 143 " --> pdb=" O SER p 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS p 515 " --> pdb=" O PHE p 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE p 141 " --> pdb=" O LYS p 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE p 517 " --> pdb=" O SER p 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU p 135 " --> pdb=" O LYS p 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE p 136 " --> pdb=" O ALA p 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA p 274 " --> pdb=" O ILE p 136 " (cutoff:3.500A) Processing sheet with id=CC6, first strand: chain 'p' and resid 75 through 78 removed outlier: 7.598A pdb=" N THR p 107 " --> pdb=" O TYR p 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR p 211 " --> pdb=" O THR p 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP p 109 " --> pdb=" O TYR p 209 " (cutoff:3.500A) Processing sheet with id=CC7, first strand: chain 'p' and resid 75 through 78 removed outlier: 6.448A pdb=" N LEU p 486 " --> pdb=" O PRO p 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEU p 482 " --> pdb=" O LEU p 112 " (cutoff:3.500A) Processing sheet with id=CC8, first strand: chain 'p' and resid 155 through 157 Processing sheet with id=CC9, first strand: chain 'p' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP p 220 " --> pdb=" O TRP p 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP p 230 " --> pdb=" O ASP p 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN p 222 " --> pdb=" O ASN p 228 " (cutoff:3.500A) Processing sheet with id=CD1, first strand: chain 'p' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR p 278 " --> pdb=" O ASN p 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=CD1 Processing sheet with id=CD2, first strand: chain 'p' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS p 330 " --> pdb=" O ALA p 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=CD2 Processing sheet with id=CD3, first strand: chain 'p' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY p 456 " --> pdb=" O LEU p 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=CD3 Processing sheet with id=CD4, first strand: chain 'q' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP q 511 " --> pdb=" O ILE q 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE q 145 " --> pdb=" O TRP q 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER q 513 " --> pdb=" O GLN q 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN q 143 " --> pdb=" O SER q 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS q 515 " --> pdb=" O PHE q 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE q 141 " --> pdb=" O LYS q 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE q 517 " --> pdb=" O SER q 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU q 135 " --> pdb=" O LYS q 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER q 139 " --> pdb=" O ILE q 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE q 268 " --> pdb=" O SER q 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE q 141 " --> pdb=" O LYS q 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS q 266 " --> pdb=" O PHE q 141 " (cutoff:3.500A) removed outlier: 4.692A pdb=" N GLN q 143 " --> pdb=" O SER q 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER q 264 " --> pdb=" O GLN q 143 " (cutoff:3.500A) Processing sheet with id=CD5, first strand: chain 'q' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN q 167 " --> pdb=" O THR q 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP q 511 " --> pdb=" O ILE q 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE q 145 " --> pdb=" O TRP q 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER q 513 " --> pdb=" O GLN q 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN q 143 " --> pdb=" O SER q 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS q 515 " --> pdb=" O PHE q 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE q 141 " --> pdb=" O LYS q 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE q 517 " --> pdb=" O SER q 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU q 135 " --> pdb=" O LYS q 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE q 136 " --> pdb=" O ALA q 274 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N ALA q 274 " --> pdb=" O ILE q 136 " (cutoff:3.500A) Processing sheet with id=CD6, first strand: chain 'q' and resid 155 through 157 Processing sheet with id=CD7, first strand: chain 'q' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP q 220 " --> pdb=" O TRP q 230 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N TRP q 230 " --> pdb=" O ASP q 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN q 222 " --> pdb=" O ASN q 228 " (cutoff:3.500A) Processing sheet with id=CD8, first strand: chain 'q' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR q 278 " --> pdb=" O ASN q 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=CD8 Processing sheet with id=CD9, first strand: chain 'q' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS q 330 " --> pdb=" O ALA q 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=CD9 Processing sheet with id=CE1, first strand: chain 'q' and resid 348 through 349 removed outlier: 3.607A pdb=" N HIS s 413 " --> pdb=" O TRP s 428 " (cutoff:3.500A) Processing sheet with id=CE2, first strand: chain 'q' and resid 427 through 428 removed outlier: 3.608A pdb=" N HIS q 413 " --> pdb=" O TRP q 428 " (cutoff:3.500A) Processing sheet with id=CE3, first strand: chain 'q' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY q 456 " --> pdb=" O LEU q 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=CE3 Processing sheet with id=CE4, first strand: chain 'r' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP r 511 " --> pdb=" O ILE r 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE r 145 " --> pdb=" O TRP r 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER r 513 " --> pdb=" O GLN r 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN r 143 " --> pdb=" O SER r 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS r 515 " --> pdb=" O PHE r 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE r 141 " --> pdb=" O LYS r 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE r 517 " --> pdb=" O SER r 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU r 135 " --> pdb=" O LYS r 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER r 139 " --> pdb=" O ILE r 268 " (cutoff:3.500A) removed outlier: 4.475A pdb=" N ILE r 268 " --> pdb=" O SER r 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE r 141 " --> pdb=" O LYS r 266 " (cutoff:3.500A) removed outlier: 4.838A pdb=" N LYS r 266 " --> pdb=" O PHE r 141 " (cutoff:3.500A) removed outlier: 4.690A pdb=" N GLN r 143 " --> pdb=" O SER r 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER r 264 " --> pdb=" O GLN r 143 " (cutoff:3.500A) Processing sheet with id=CE5, first strand: chain 'r' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN r 167 " --> pdb=" O THR r 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP r 511 " --> pdb=" O ILE r 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE r 145 " --> pdb=" O TRP r 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER r 513 " --> pdb=" O GLN r 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN r 143 " --> pdb=" O SER r 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS r 515 " --> pdb=" O PHE r 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE r 141 " --> pdb=" O LYS r 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE r 517 " --> pdb=" O SER r 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU r 135 " --> pdb=" O LYS r 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE r 136 " --> pdb=" O ALA r 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA r 274 " --> pdb=" O ILE r 136 " (cutoff:3.500A) Processing sheet with id=CE6, first strand: chain 'r' and resid 155 through 157 Processing sheet with id=CE7, first strand: chain 'r' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP r 220 " --> pdb=" O TRP r 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP r 230 " --> pdb=" O ASP r 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN r 222 " --> pdb=" O ASN r 228 " (cutoff:3.500A) Processing sheet with id=CE8, first strand: chain 'r' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR r 278 " --> pdb=" O ASN r 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=CE8 Processing sheet with id=CE9, first strand: chain 'r' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS r 330 " --> pdb=" O ALA r 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=CE9 Processing sheet with id=CF1, first strand: chain 'r' and resid 427 through 428 removed outlier: 3.608A pdb=" N HIS r 413 " --> pdb=" O TRP r 428 " (cutoff:3.500A) Processing sheet with id=CF2, first strand: chain 'r' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY r 456 " --> pdb=" O LEU r 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=CF2 Processing sheet with id=CF3, first strand: chain 's' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP s 511 " --> pdb=" O ILE s 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE s 145 " --> pdb=" O TRP s 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER s 513 " --> pdb=" O GLN s 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN s 143 " --> pdb=" O SER s 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS s 515 " --> pdb=" O PHE s 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE s 141 " --> pdb=" O LYS s 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE s 517 " --> pdb=" O SER s 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU s 135 " --> pdb=" O LYS s 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER s 139 " --> pdb=" O ILE s 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE s 268 " --> pdb=" O SER s 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE s 141 " --> pdb=" O LYS s 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS s 266 " --> pdb=" O PHE s 141 " (cutoff:3.500A) removed outlier: 4.692A pdb=" N GLN s 143 " --> pdb=" O SER s 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER s 264 " --> pdb=" O GLN s 143 " (cutoff:3.500A) Processing sheet with id=CF4, first strand: chain 's' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN s 167 " --> pdb=" O THR s 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP s 511 " --> pdb=" O ILE s 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE s 145 " --> pdb=" O TRP s 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER s 513 " --> pdb=" O GLN s 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN s 143 " --> pdb=" O SER s 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS s 515 " --> pdb=" O PHE s 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE s 141 " --> pdb=" O LYS s 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE s 517 " --> pdb=" O SER s 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU s 135 " --> pdb=" O LYS s 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE s 136 " --> pdb=" O ALA s 274 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N ALA s 274 " --> pdb=" O ILE s 136 " (cutoff:3.500A) Processing sheet with id=CF5, first strand: chain 's' and resid 155 through 157 Processing sheet with id=CF6, first strand: chain 's' and resid 219 through 223 removed outlier: 6.509A pdb=" N ASP s 220 " --> pdb=" O TRP s 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP s 230 " --> pdb=" O ASP s 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN s 222 " --> pdb=" O ASN s 228 " (cutoff:3.500A) Processing sheet with id=CF7, first strand: chain 's' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR s 278 " --> pdb=" O ASN s 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=CF7 Processing sheet with id=CF8, first strand: chain 's' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS s 330 " --> pdb=" O ALA s 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=CF8 Processing sheet with id=CF9, first strand: chain 's' and resid 456 through 457 removed outlier: 7.071A pdb=" N GLY s 456 " --> pdb=" O LEU s 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=CF9 Processing sheet with id=CG1, first strand: chain 't' and resid 45 through 49 removed outlier: 6.809A pdb=" N TRP t 511 " --> pdb=" O ILE t 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE t 145 " --> pdb=" O TRP t 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER t 513 " --> pdb=" O GLN t 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN t 143 " --> pdb=" O SER t 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS t 515 " --> pdb=" O PHE t 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE t 141 " --> pdb=" O LYS t 515 " (cutoff:3.500A) removed outlier: 6.513A pdb=" N ILE t 517 " --> pdb=" O SER t 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU t 135 " --> pdb=" O LYS t 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER t 139 " --> pdb=" O ILE t 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE t 268 " --> pdb=" O SER t 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE t 141 " --> pdb=" O LYS t 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS t 266 " --> pdb=" O PHE t 141 " (cutoff:3.500A) removed outlier: 4.692A pdb=" N GLN t 143 " --> pdb=" O SER t 264 " (cutoff:3.500A) removed outlier: 4.661A pdb=" N SER t 264 " --> pdb=" O GLN t 143 " (cutoff:3.500A) Processing sheet with id=CG2, first strand: chain 't' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN t 167 " --> pdb=" O THR t 152 " (cutoff:3.500A) removed outlier: 6.809A pdb=" N TRP t 511 " --> pdb=" O ILE t 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE t 145 " --> pdb=" O TRP t 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER t 513 " --> pdb=" O GLN t 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN t 143 " --> pdb=" O SER t 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS t 515 " --> pdb=" O PHE t 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE t 141 " --> pdb=" O LYS t 515 " (cutoff:3.500A) removed outlier: 6.513A pdb=" N ILE t 517 " --> pdb=" O SER t 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU t 135 " --> pdb=" O LYS t 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE t 136 " --> pdb=" O ALA t 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA t 274 " --> pdb=" O ILE t 136 " (cutoff:3.500A) Processing sheet with id=CG3, first strand: chain 't' and resid 75 through 78 removed outlier: 7.598A pdb=" N THR t 107 " --> pdb=" O TYR t 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR t 211 " --> pdb=" O THR t 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP t 109 " --> pdb=" O TYR t 209 " (cutoff:3.500A) Processing sheet with id=CG4, first strand: chain 't' and resid 75 through 78 removed outlier: 6.448A pdb=" N LEU t 486 " --> pdb=" O PRO t 108 " (cutoff:3.500A) removed outlier: 4.249A pdb=" N LEU t 482 " --> pdb=" O LEU t 112 " (cutoff:3.500A) Processing sheet with id=CG5, first strand: chain 't' and resid 155 through 157 Processing sheet with id=CG6, first strand: chain 't' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP t 220 " --> pdb=" O TRP t 230 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N TRP t 230 " --> pdb=" O ASP t 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN t 222 " --> pdb=" O ASN t 228 " (cutoff:3.500A) Processing sheet with id=CG7, first strand: chain 't' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR t 278 " --> pdb=" O ASN t 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=CG7 Processing sheet with id=CG8, first strand: chain 't' and resid 330 through 331 removed outlier: 6.659A pdb=" N HIS t 330 " --> pdb=" O ALA t 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=CG8 Processing sheet with id=CG9, first strand: chain 't' and resid 348 through 349 removed outlier: 3.607A pdb=" N HIS v 413 " --> pdb=" O TRP v 428 " (cutoff:3.500A) Processing sheet with id=CH1, first strand: chain 't' and resid 427 through 428 removed outlier: 3.607A pdb=" N HIS t 413 " --> pdb=" O TRP t 428 " (cutoff:3.500A) Processing sheet with id=CH2, first strand: chain 't' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY t 456 " --> pdb=" O LEU t 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=CH2 Processing sheet with id=CH3, first strand: chain 'u' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP u 511 " --> pdb=" O ILE u 145 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N ILE u 145 " --> pdb=" O TRP u 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER u 513 " --> pdb=" O GLN u 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN u 143 " --> pdb=" O SER u 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS u 515 " --> pdb=" O PHE u 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE u 141 " --> pdb=" O LYS u 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE u 517 " --> pdb=" O SER u 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU u 135 " --> pdb=" O LYS u 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER u 139 " --> pdb=" O ILE u 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE u 268 " --> pdb=" O SER u 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE u 141 " --> pdb=" O LYS u 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS u 266 " --> pdb=" O PHE u 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN u 143 " --> pdb=" O SER u 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER u 264 " --> pdb=" O GLN u 143 " (cutoff:3.500A) Processing sheet with id=CH4, first strand: chain 'u' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN u 167 " --> pdb=" O THR u 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP u 511 " --> pdb=" O ILE u 145 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N ILE u 145 " --> pdb=" O TRP u 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER u 513 " --> pdb=" O GLN u 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN u 143 " --> pdb=" O SER u 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS u 515 " --> pdb=" O PHE u 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE u 141 " --> pdb=" O LYS u 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE u 517 " --> pdb=" O SER u 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU u 135 " --> pdb=" O LYS u 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE u 136 " --> pdb=" O ALA u 274 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N ALA u 274 " --> pdb=" O ILE u 136 " (cutoff:3.500A) Processing sheet with id=CH5, first strand: chain 'u' and resid 155 through 157 Processing sheet with id=CH6, first strand: chain 'u' and resid 219 through 223 removed outlier: 6.509A pdb=" N ASP u 220 " --> pdb=" O TRP u 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP u 230 " --> pdb=" O ASP u 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN u 222 " --> pdb=" O ASN u 228 " (cutoff:3.500A) Processing sheet with id=CH7, first strand: chain 'u' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR u 278 " --> pdb=" O ASN u 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=CH7 Processing sheet with id=CH8, first strand: chain 'u' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS u 330 " --> pdb=" O ALA u 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=CH8 Processing sheet with id=CH9, first strand: chain 'u' and resid 427 through 428 removed outlier: 3.608A pdb=" N HIS u 413 " --> pdb=" O TRP u 428 " (cutoff:3.500A) Processing sheet with id=CI1, first strand: chain 'u' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY u 456 " --> pdb=" O LEU u 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=CI1 Processing sheet with id=CI2, first strand: chain 'v' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU w 482 " --> pdb=" O LEU w 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU w 486 " --> pdb=" O PRO w 108 " (cutoff:3.500A) Processing sheet with id=CI3, first strand: chain 'v' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU w 482 " --> pdb=" O LEU w 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU w 486 " --> pdb=" O PRO w 108 " (cutoff:3.500A) removed outlier: 7.598A pdb=" N THR w 107 " --> pdb=" O TYR w 211 " (cutoff:3.500A) removed outlier: 8.001A pdb=" N TYR w 211 " --> pdb=" O THR w 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP w 109 " --> pdb=" O TYR w 209 " (cutoff:3.500A) Processing sheet with id=CI4, first strand: chain 'v' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP v 511 " --> pdb=" O ILE v 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE v 145 " --> pdb=" O TRP v 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER v 513 " --> pdb=" O GLN v 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN v 143 " --> pdb=" O SER v 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS v 515 " --> pdb=" O PHE v 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE v 141 " --> pdb=" O LYS v 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE v 517 " --> pdb=" O SER v 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU v 135 " --> pdb=" O LYS v 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER v 139 " --> pdb=" O ILE v 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE v 268 " --> pdb=" O SER v 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE v 141 " --> pdb=" O LYS v 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS v 266 " --> pdb=" O PHE v 141 " (cutoff:3.500A) removed outlier: 4.690A pdb=" N GLN v 143 " --> pdb=" O SER v 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER v 264 " --> pdb=" O GLN v 143 " (cutoff:3.500A) Processing sheet with id=CI5, first strand: chain 'v' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN v 167 " --> pdb=" O THR v 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP v 511 " --> pdb=" O ILE v 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE v 145 " --> pdb=" O TRP v 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER v 513 " --> pdb=" O GLN v 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN v 143 " --> pdb=" O SER v 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS v 515 " --> pdb=" O PHE v 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE v 141 " --> pdb=" O LYS v 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE v 517 " --> pdb=" O SER v 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU v 135 " --> pdb=" O LYS v 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE v 136 " --> pdb=" O ALA v 274 " (cutoff:3.500A) removed outlier: 3.949A pdb=" N ALA v 274 " --> pdb=" O ILE v 136 " (cutoff:3.500A) Processing sheet with id=CI6, first strand: chain 'v' and resid 155 through 157 Processing sheet with id=CI7, first strand: chain 'v' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP v 220 " --> pdb=" O TRP v 230 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N TRP v 230 " --> pdb=" O ASP v 220 " (cutoff:3.500A) removed outlier: 6.224A pdb=" N ASN v 222 " --> pdb=" O ASN v 228 " (cutoff:3.500A) Processing sheet with id=CI8, first strand: chain 'v' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR v 278 " --> pdb=" O ASN v 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=CI8 Processing sheet with id=CI9, first strand: chain 'v' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS v 330 " --> pdb=" O ALA v 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=CI9 Processing sheet with id=CJ1, first strand: chain 'v' and resid 456 through 457 removed outlier: 7.071A pdb=" N GLY v 456 " --> pdb=" O LEU v 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=CJ1 Processing sheet with id=CJ2, first strand: chain 'w' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU 7 482 " --> pdb=" O LEU 7 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU 7 486 " --> pdb=" O PRO 7 108 " (cutoff:3.500A) Processing sheet with id=CJ3, first strand: chain 'w' and resid 40 through 41 removed outlier: 4.249A pdb=" N LEU 7 482 " --> pdb=" O LEU 7 112 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N LEU 7 486 " --> pdb=" O PRO 7 108 " (cutoff:3.500A) removed outlier: 7.599A pdb=" N THR 7 107 " --> pdb=" O TYR 7 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR 7 211 " --> pdb=" O THR 7 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP 7 109 " --> pdb=" O TYR 7 209 " (cutoff:3.500A) Processing sheet with id=CJ4, first strand: chain 'w' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP w 511 " --> pdb=" O ILE w 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE w 145 " --> pdb=" O TRP w 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER w 513 " --> pdb=" O GLN w 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN w 143 " --> pdb=" O SER w 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS w 515 " --> pdb=" O PHE w 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE w 141 " --> pdb=" O LYS w 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE w 517 " --> pdb=" O SER w 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU w 135 " --> pdb=" O LYS w 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER w 139 " --> pdb=" O ILE w 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE w 268 " --> pdb=" O SER w 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE w 141 " --> pdb=" O LYS w 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS w 266 " --> pdb=" O PHE w 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN w 143 " --> pdb=" O SER w 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER w 264 " --> pdb=" O GLN w 143 " (cutoff:3.500A) Processing sheet with id=CJ5, first strand: chain 'w' and resid 167 through 168 removed outlier: 3.519A pdb=" N ASN w 167 " --> pdb=" O THR w 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP w 511 " --> pdb=" O ILE w 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE w 145 " --> pdb=" O TRP w 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER w 513 " --> pdb=" O GLN w 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN w 143 " --> pdb=" O SER w 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS w 515 " --> pdb=" O PHE w 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE w 141 " --> pdb=" O LYS w 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE w 517 " --> pdb=" O SER w 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU w 135 " --> pdb=" O LYS w 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE w 136 " --> pdb=" O ALA w 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA w 274 " --> pdb=" O ILE w 136 " (cutoff:3.500A) Processing sheet with id=CJ6, first strand: chain 'w' and resid 155 through 157 Processing sheet with id=CJ7, first strand: chain 'w' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP w 220 " --> pdb=" O TRP w 230 " (cutoff:3.500A) removed outlier: 4.310A pdb=" N TRP w 230 " --> pdb=" O ASP w 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN w 222 " --> pdb=" O ASN w 228 " (cutoff:3.500A) Processing sheet with id=CJ8, first strand: chain 'w' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR w 278 " --> pdb=" O ASN w 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=CJ8 Processing sheet with id=CJ9, first strand: chain 'w' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS w 330 " --> pdb=" O ALA w 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=CJ9 Processing sheet with id=CK1, first strand: chain 'w' and resid 348 through 349 removed outlier: 3.608A pdb=" N HIS x 413 " --> pdb=" O TRP x 428 " (cutoff:3.500A) Processing sheet with id=CK2, first strand: chain 'w' and resid 456 through 457 removed outlier: 7.071A pdb=" N GLY w 456 " --> pdb=" O LEU w 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=CK2 Processing sheet with id=CK3, first strand: chain 'x' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP x 511 " --> pdb=" O ILE x 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE x 145 " --> pdb=" O TRP x 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER x 513 " --> pdb=" O GLN x 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN x 143 " --> pdb=" O SER x 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS x 515 " --> pdb=" O PHE x 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE x 141 " --> pdb=" O LYS x 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE x 517 " --> pdb=" O SER x 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU x 135 " --> pdb=" O LYS x 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER x 139 " --> pdb=" O ILE x 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE x 268 " --> pdb=" O SER x 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE x 141 " --> pdb=" O LYS x 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS x 266 " --> pdb=" O PHE x 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN x 143 " --> pdb=" O SER x 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER x 264 " --> pdb=" O GLN x 143 " (cutoff:3.500A) Processing sheet with id=CK4, first strand: chain 'x' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN x 167 " --> pdb=" O THR x 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP x 511 " --> pdb=" O ILE x 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE x 145 " --> pdb=" O TRP x 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER x 513 " --> pdb=" O GLN x 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN x 143 " --> pdb=" O SER x 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS x 515 " --> pdb=" O PHE x 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE x 141 " --> pdb=" O LYS x 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE x 517 " --> pdb=" O SER x 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU x 135 " --> pdb=" O LYS x 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE x 136 " --> pdb=" O ALA x 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA x 274 " --> pdb=" O ILE x 136 " (cutoff:3.500A) Processing sheet with id=CK5, first strand: chain 'x' and resid 155 through 157 Processing sheet with id=CK6, first strand: chain 'x' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP x 220 " --> pdb=" O TRP x 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP x 230 " --> pdb=" O ASP x 220 " (cutoff:3.500A) removed outlier: 6.222A pdb=" N ASN x 222 " --> pdb=" O ASN x 228 " (cutoff:3.500A) Processing sheet with id=CK7, first strand: chain 'x' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR x 278 " --> pdb=" O ASN x 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=CK7 Processing sheet with id=CK8, first strand: chain 'x' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS x 330 " --> pdb=" O ALA x 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=CK8 Processing sheet with id=CK9, first strand: chain 'x' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY x 456 " --> pdb=" O LEU x 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=CK9 Processing sheet with id=CL1, first strand: chain 'y' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP y 511 " --> pdb=" O ILE y 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE y 145 " --> pdb=" O TRP y 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER y 513 " --> pdb=" O GLN y 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN y 143 " --> pdb=" O SER y 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS y 515 " --> pdb=" O PHE y 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE y 141 " --> pdb=" O LYS y 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE y 517 " --> pdb=" O SER y 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU y 135 " --> pdb=" O LYS y 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER y 139 " --> pdb=" O ILE y 268 " (cutoff:3.500A) removed outlier: 4.477A pdb=" N ILE y 268 " --> pdb=" O SER y 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE y 141 " --> pdb=" O LYS y 266 " (cutoff:3.500A) removed outlier: 4.840A pdb=" N LYS y 266 " --> pdb=" O PHE y 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN y 143 " --> pdb=" O SER y 264 " (cutoff:3.500A) removed outlier: 4.661A pdb=" N SER y 264 " --> pdb=" O GLN y 143 " (cutoff:3.500A) Processing sheet with id=CL2, first strand: chain 'y' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN y 167 " --> pdb=" O THR y 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP y 511 " --> pdb=" O ILE y 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE y 145 " --> pdb=" O TRP y 511 " (cutoff:3.500A) removed outlier: 6.844A pdb=" N SER y 513 " --> pdb=" O GLN y 143 " (cutoff:3.500A) removed outlier: 4.888A pdb=" N GLN y 143 " --> pdb=" O SER y 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS y 515 " --> pdb=" O PHE y 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE y 141 " --> pdb=" O LYS y 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE y 517 " --> pdb=" O SER y 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU y 135 " --> pdb=" O LYS y 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE y 136 " --> pdb=" O ALA y 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA y 274 " --> pdb=" O ILE y 136 " (cutoff:3.500A) Processing sheet with id=CL3, first strand: chain 'y' and resid 75 through 78 removed outlier: 7.599A pdb=" N THR y 107 " --> pdb=" O TYR y 211 " (cutoff:3.500A) removed outlier: 8.002A pdb=" N TYR y 211 " --> pdb=" O THR y 107 " (cutoff:3.500A) removed outlier: 5.013A pdb=" N TRP y 109 " --> pdb=" O TYR y 209 " (cutoff:3.500A) Processing sheet with id=CL4, first strand: chain 'y' and resid 75 through 78 removed outlier: 6.448A pdb=" N LEU y 486 " --> pdb=" O PRO y 108 " (cutoff:3.500A) removed outlier: 4.248A pdb=" N LEU y 482 " --> pdb=" O LEU y 112 " (cutoff:3.500A) Processing sheet with id=CL5, first strand: chain 'y' and resid 155 through 157 Processing sheet with id=CL6, first strand: chain 'y' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP y 220 " --> pdb=" O TRP y 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP y 230 " --> pdb=" O ASP y 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN y 222 " --> pdb=" O ASN y 228 " (cutoff:3.500A) Processing sheet with id=CL7, first strand: chain 'y' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR y 278 " --> pdb=" O ASN y 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=CL7 Processing sheet with id=CL8, first strand: chain 'y' and resid 330 through 331 removed outlier: 6.659A pdb=" N HIS y 330 " --> pdb=" O ALA y 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=CL8 Processing sheet with id=CL9, first strand: chain 'y' and resid 348 through 349 removed outlier: 3.608A pdb=" N HIS 6 413 " --> pdb=" O TRP 6 428 " (cutoff:3.500A) Processing sheet with id=CM1, first strand: chain 'y' and resid 427 through 428 removed outlier: 3.607A pdb=" N HIS y 413 " --> pdb=" O TRP y 428 " (cutoff:3.500A) Processing sheet with id=CM2, first strand: chain 'y' and resid 456 through 457 removed outlier: 7.071A pdb=" N GLY y 456 " --> pdb=" O LEU y 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=CM2 Processing sheet with id=CM3, first strand: chain 'z' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP z 511 " --> pdb=" O ILE z 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE z 145 " --> pdb=" O TRP z 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER z 513 " --> pdb=" O GLN z 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN z 143 " --> pdb=" O SER z 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS z 515 " --> pdb=" O PHE z 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE z 141 " --> pdb=" O LYS z 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE z 517 " --> pdb=" O SER z 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU z 135 " --> pdb=" O LYS z 521 " (cutoff:3.500A) removed outlier: 7.456A pdb=" N SER z 139 " --> pdb=" O ILE z 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE z 268 " --> pdb=" O SER z 139 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N PHE z 141 " --> pdb=" O LYS z 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS z 266 " --> pdb=" O PHE z 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN z 143 " --> pdb=" O SER z 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER z 264 " --> pdb=" O GLN z 143 " (cutoff:3.500A) Processing sheet with id=CM4, first strand: chain 'z' and resid 167 through 168 removed outlier: 3.520A pdb=" N ASN z 167 " --> pdb=" O THR z 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP z 511 " --> pdb=" O ILE z 145 " (cutoff:3.500A) removed outlier: 4.898A pdb=" N ILE z 145 " --> pdb=" O TRP z 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER z 513 " --> pdb=" O GLN z 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN z 143 " --> pdb=" O SER z 513 " (cutoff:3.500A) removed outlier: 6.638A pdb=" N LYS z 515 " --> pdb=" O PHE z 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE z 141 " --> pdb=" O LYS z 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE z 517 " --> pdb=" O SER z 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU z 135 " --> pdb=" O LYS z 521 " (cutoff:3.500A) removed outlier: 3.631A pdb=" N ILE z 136 " --> pdb=" O ALA z 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA z 274 " --> pdb=" O ILE z 136 " (cutoff:3.500A) Processing sheet with id=CM5, first strand: chain 'z' and resid 155 through 157 Processing sheet with id=CM6, first strand: chain 'z' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP z 220 " --> pdb=" O TRP z 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP z 230 " --> pdb=" O ASP z 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN z 222 " --> pdb=" O ASN z 228 " (cutoff:3.500A) Processing sheet with id=CM7, first strand: chain 'z' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR z 278 " --> pdb=" O ASN z 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=CM7 Processing sheet with id=CM8, first strand: chain 'z' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS z 330 " --> pdb=" O ALA z 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=CM8 Processing sheet with id=CM9, first strand: chain 'z' and resid 427 through 428 removed outlier: 3.608A pdb=" N HIS z 413 " --> pdb=" O TRP z 428 " (cutoff:3.500A) Processing sheet with id=CN1, first strand: chain 'z' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY z 456 " --> pdb=" O LEU z 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=CN1 Processing sheet with id=CN2, first strand: chain '6' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP 6 511 " --> pdb=" O ILE 6 145 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N ILE 6 145 " --> pdb=" O TRP 6 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER 6 513 " --> pdb=" O GLN 6 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN 6 143 " --> pdb=" O SER 6 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS 6 515 " --> pdb=" O PHE 6 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE 6 141 " --> pdb=" O LYS 6 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE 6 517 " --> pdb=" O SER 6 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU 6 135 " --> pdb=" O LYS 6 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER 6 139 " --> pdb=" O ILE 6 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE 6 268 " --> pdb=" O SER 6 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE 6 141 " --> pdb=" O LYS 6 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS 6 266 " --> pdb=" O PHE 6 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN 6 143 " --> pdb=" O SER 6 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER 6 264 " --> pdb=" O GLN 6 143 " (cutoff:3.500A) Processing sheet with id=CN3, first strand: chain '6' and resid 167 through 168 removed outlier: 3.519A pdb=" N ASN 6 167 " --> pdb=" O THR 6 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP 6 511 " --> pdb=" O ILE 6 145 " (cutoff:3.500A) removed outlier: 4.900A pdb=" N ILE 6 145 " --> pdb=" O TRP 6 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER 6 513 " --> pdb=" O GLN 6 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN 6 143 " --> pdb=" O SER 6 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS 6 515 " --> pdb=" O PHE 6 141 " (cutoff:3.500A) removed outlier: 4.395A pdb=" N PHE 6 141 " --> pdb=" O LYS 6 515 " (cutoff:3.500A) removed outlier: 6.512A pdb=" N ILE 6 517 " --> pdb=" O SER 6 139 " (cutoff:3.500A) removed outlier: 4.074A pdb=" N GLU 6 135 " --> pdb=" O LYS 6 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE 6 136 " --> pdb=" O ALA 6 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA 6 274 " --> pdb=" O ILE 6 136 " (cutoff:3.500A) Processing sheet with id=CN4, first strand: chain '6' and resid 155 through 157 Processing sheet with id=CN5, first strand: chain '6' and resid 219 through 223 removed outlier: 6.509A pdb=" N ASP 6 220 " --> pdb=" O TRP 6 230 " (cutoff:3.500A) removed outlier: 4.309A pdb=" N TRP 6 230 " --> pdb=" O ASP 6 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN 6 222 " --> pdb=" O ASN 6 228 " (cutoff:3.500A) Processing sheet with id=CN6, first strand: chain '6' and resid 278 through 279 removed outlier: 6.463A pdb=" N TYR 6 278 " --> pdb=" O ASN 6 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=CN6 Processing sheet with id=CN7, first strand: chain '6' and resid 330 through 331 removed outlier: 6.659A pdb=" N HIS 6 330 " --> pdb=" O ALA 6 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=CN7 Processing sheet with id=CN8, first strand: chain '6' and resid 456 through 457 removed outlier: 7.071A pdb=" N GLY 6 456 " --> pdb=" O LEU 6 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=CN8 Processing sheet with id=CN9, first strand: chain '7' and resid 45 through 49 removed outlier: 6.810A pdb=" N TRP 7 511 " --> pdb=" O ILE 7 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE 7 145 " --> pdb=" O TRP 7 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER 7 513 " --> pdb=" O GLN 7 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN 7 143 " --> pdb=" O SER 7 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS 7 515 " --> pdb=" O PHE 7 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE 7 141 " --> pdb=" O LYS 7 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE 7 517 " --> pdb=" O SER 7 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU 7 135 " --> pdb=" O LYS 7 521 " (cutoff:3.500A) removed outlier: 7.455A pdb=" N SER 7 139 " --> pdb=" O ILE 7 268 " (cutoff:3.500A) removed outlier: 4.476A pdb=" N ILE 7 268 " --> pdb=" O SER 7 139 " (cutoff:3.500A) removed outlier: 6.738A pdb=" N PHE 7 141 " --> pdb=" O LYS 7 266 " (cutoff:3.500A) removed outlier: 4.839A pdb=" N LYS 7 266 " --> pdb=" O PHE 7 141 " (cutoff:3.500A) removed outlier: 4.691A pdb=" N GLN 7 143 " --> pdb=" O SER 7 264 " (cutoff:3.500A) removed outlier: 4.660A pdb=" N SER 7 264 " --> pdb=" O GLN 7 143 " (cutoff:3.500A) Processing sheet with id=CO1, first strand: chain '7' and resid 167 through 168 removed outlier: 3.519A pdb=" N ASN 7 167 " --> pdb=" O THR 7 152 " (cutoff:3.500A) removed outlier: 6.810A pdb=" N TRP 7 511 " --> pdb=" O ILE 7 145 " (cutoff:3.500A) removed outlier: 4.899A pdb=" N ILE 7 145 " --> pdb=" O TRP 7 511 " (cutoff:3.500A) removed outlier: 6.845A pdb=" N SER 7 513 " --> pdb=" O GLN 7 143 " (cutoff:3.500A) removed outlier: 4.889A pdb=" N GLN 7 143 " --> pdb=" O SER 7 513 " (cutoff:3.500A) removed outlier: 6.639A pdb=" N LYS 7 515 " --> pdb=" O PHE 7 141 " (cutoff:3.500A) removed outlier: 4.396A pdb=" N PHE 7 141 " --> pdb=" O LYS 7 515 " (cutoff:3.500A) removed outlier: 6.511A pdb=" N ILE 7 517 " --> pdb=" O SER 7 139 " (cutoff:3.500A) removed outlier: 4.073A pdb=" N GLU 7 135 " --> pdb=" O LYS 7 521 " (cutoff:3.500A) removed outlier: 3.632A pdb=" N ILE 7 136 " --> pdb=" O ALA 7 274 " (cutoff:3.500A) removed outlier: 3.948A pdb=" N ALA 7 274 " --> pdb=" O ILE 7 136 " (cutoff:3.500A) Processing sheet with id=CO2, first strand: chain '7' and resid 155 through 157 Processing sheet with id=CO3, first strand: chain '7' and resid 219 through 223 removed outlier: 6.510A pdb=" N ASP 7 220 " --> pdb=" O TRP 7 230 " (cutoff:3.500A) removed outlier: 4.308A pdb=" N TRP 7 230 " --> pdb=" O ASP 7 220 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N ASN 7 222 " --> pdb=" O ASN 7 228 " (cutoff:3.500A) Processing sheet with id=CO4, first strand: chain '7' and resid 278 through 279 removed outlier: 6.464A pdb=" N TYR 7 278 " --> pdb=" O ASN 7 565 " (cutoff:3.500A) No H-bonds generated for sheet with id=CO4 Processing sheet with id=CO5, first strand: chain '7' and resid 330 through 331 removed outlier: 6.658A pdb=" N HIS 7 330 " --> pdb=" O ALA 7 441 " (cutoff:3.500A) No H-bonds generated for sheet with id=CO5 Processing sheet with id=CO6, first strand: chain '7' and resid 456 through 457 removed outlier: 7.070A pdb=" N GLY 7 456 " --> pdb=" O LEU 7 475 " (cutoff:3.500A) No H-bonds generated for sheet with id=CO6 4788 hydrogen bonds defined for protein. 11748 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: 224.50 Time building geometry restraints manager: 76.70 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.22 - 1.34: 85432 1.34 - 1.46: 69299 1.46 - 1.58: 111729 1.58 - 1.70: 0 1.70 - 1.82: 1860 Bond restraints: 268320 Sorted by residual: bond pdb=" CA PRO G 246 " pdb=" C PRO G 246 " ideal model delta sigma weight residual 1.522 1.466 0.056 1.16e-02 7.43e+03 2.35e+01 bond pdb=" CA PRO O 246 " pdb=" C PRO O 246 " ideal model delta sigma weight residual 1.522 1.466 0.056 1.16e-02 7.43e+03 2.35e+01 bond pdb=" CA PRO L 246 " pdb=" C PRO L 246 " ideal model delta sigma weight residual 1.522 1.466 0.056 1.16e-02 7.43e+03 2.34e+01 bond pdb=" CA PRO a 246 " pdb=" C PRO a 246 " ideal model delta sigma weight residual 1.522 1.466 0.056 1.16e-02 7.43e+03 2.32e+01 bond pdb=" CA PRO m 246 " pdb=" C PRO m 246 " ideal model delta sigma weight residual 1.522 1.466 0.056 1.16e-02 7.43e+03 2.32e+01 ... (remaining 268315 not shown) Histogram of bond angle deviations from ideal: 97.06 - 104.95: 7800 104.95 - 112.84: 140177 112.84 - 120.73: 118647 120.73 - 128.62: 94935 128.62 - 136.52: 5281 Bond angle restraints: 366840 Sorted by residual: angle pdb=" C THR r 245 " pdb=" N PRO r 246 " pdb=" CA PRO r 246 " ideal model delta sigma weight residual 119.90 131.38 -11.48 1.05e+00 9.07e-01 1.20e+02 angle pdb=" C THR 7 245 " pdb=" N PRO 7 246 " pdb=" CA PRO 7 246 " ideal model delta sigma weight residual 119.90 131.38 -11.48 1.05e+00 9.07e-01 1.20e+02 angle pdb=" C THR w 245 " pdb=" N PRO w 246 " pdb=" CA PRO w 246 " ideal model delta sigma weight residual 119.90 131.37 -11.47 1.05e+00 9.07e-01 1.19e+02 angle pdb=" C THR E 245 " pdb=" N PRO E 246 " pdb=" CA PRO E 246 " ideal model delta sigma weight residual 119.90 131.37 -11.47 1.05e+00 9.07e-01 1.19e+02 angle pdb=" C THR C 245 " pdb=" N PRO C 246 " pdb=" CA PRO C 246 " ideal model delta sigma weight residual 119.90 131.37 -11.47 1.05e+00 9.07e-01 1.19e+02 ... (remaining 366835 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 16.58: 144480 16.58 - 33.17: 8280 33.17 - 49.75: 1680 49.75 - 66.34: 300 66.34 - 82.92: 120 Dihedral angle restraints: 154860 sinusoidal: 62040 harmonic: 92820 Sorted by residual: dihedral pdb=" CA ASN y 382 " pdb=" C ASN y 382 " pdb=" N HIS y 383 " pdb=" CA HIS y 383 " ideal model delta harmonic sigma weight residual 180.00 145.27 34.73 0 5.00e+00 4.00e-02 4.82e+01 dihedral pdb=" CA ASN b 382 " pdb=" C ASN b 382 " pdb=" N HIS b 383 " pdb=" CA HIS b 383 " ideal model delta harmonic sigma weight residual 180.00 145.29 34.71 0 5.00e+00 4.00e-02 4.82e+01 dihedral pdb=" CA ASN e 382 " pdb=" C ASN e 382 " pdb=" N HIS e 383 " pdb=" CA HIS e 383 " ideal model delta harmonic sigma weight residual 180.00 145.30 34.70 0 5.00e+00 4.00e-02 4.82e+01 ... (remaining 154857 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.127: 34689 0.127 - 0.253: 1971 0.253 - 0.380: 240 0.380 - 0.507: 180 0.507 - 0.634: 60 Chirality restraints: 37140 Sorted by residual: chirality pdb=" CA ASN m 98 " pdb=" N ASN m 98 " pdb=" C ASN m 98 " pdb=" CB ASN m 98 " both_signs ideal model delta sigma weight residual False 2.51 1.88 0.63 2.00e-01 2.50e+01 1.00e+01 chirality pdb=" CA ASN d 98 " pdb=" N ASN d 98 " pdb=" C ASN d 98 " pdb=" CB ASN d 98 " both_signs ideal model delta sigma weight residual False 2.51 1.88 0.63 2.00e-01 2.50e+01 1.00e+01 chirality pdb=" CA ASN x 98 " pdb=" N ASN x 98 " pdb=" C ASN x 98 " pdb=" CB ASN x 98 " both_signs ideal model delta sigma weight residual False 2.51 1.88 0.63 2.00e-01 2.50e+01 1.00e+01 ... (remaining 37137 not shown) Planarity restraints: 48240 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CA THR V 245 " 0.025 2.00e-02 2.50e+03 5.29e-02 2.80e+01 pdb=" C THR V 245 " -0.091 2.00e-02 2.50e+03 pdb=" O THR V 245 " 0.036 2.00e-02 2.50e+03 pdb=" N PRO V 246 " 0.031 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA THR N 245 " 0.025 2.00e-02 2.50e+03 5.28e-02 2.79e+01 pdb=" C THR N 245 " -0.091 2.00e-02 2.50e+03 pdb=" O THR N 245 " 0.036 2.00e-02 2.50e+03 pdb=" N PRO N 246 " 0.031 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CA THR 2 245 " -0.025 2.00e-02 2.50e+03 5.28e-02 2.79e+01 pdb=" C THR 2 245 " 0.091 2.00e-02 2.50e+03 pdb=" O THR 2 245 " -0.036 2.00e-02 2.50e+03 pdb=" N PRO 2 246 " -0.031 2.00e-02 2.50e+03 ... (remaining 48237 not shown) Histogram of nonbonded interaction distances: 1.34 - 2.05: 838 2.05 - 2.77: 58850 2.77 - 3.48: 369699 3.48 - 4.19: 644109 4.19 - 4.90: 1103306 Nonbonded interactions: 2176802 Sorted by model distance: nonbonded pdb=" CA GLY 3 498 " pdb=" OG SER 3 502 " model vdw 1.342 3.440 nonbonded pdb=" CA GLY u 498 " pdb=" OG SER u 502 " model vdw 1.342 3.440 nonbonded pdb=" CA GLY g 498 " pdb=" OG SER g 502 " model vdw 1.342 3.440 nonbonded pdb=" CA GLY L 498 " pdb=" OG SER L 502 " model vdw 1.342 3.440 nonbonded pdb=" CA GLY Y 498 " pdb=" OG SER Y 502 " model vdw 1.342 3.440 ... (remaining 2176797 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Set up NCS constraints 259560 259560 False True 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 1140 5.16 5 C 163620 2.51 5 N 45780 2.21 5 O 49020 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 Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 1.880 Set model interpretation parameters: 0.130 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Construct map_model_manager: 0.210 Extract box with map and model: 25.600 Check model and map are aligned: 0.000 Convert atoms to be neutral: 0.760 Process input model: 629.380 Set up NCS constraints: 3.480 Set refine NCS operators: 0.000 Set scattering table: 0.100 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:1.660 Internal consistency checks: 0.000 Total: 663.220 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6690 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values. Bond : 0.010 0.079 268320 Angle : 1.278 14.765 366840 Chirality : 0.076 0.634 37140 Planarity : 0.007 0.088 48240 Dihedral : 11.395 82.921 95280 Min Nonbonded Distance : 1.342 Molprobity Statistics. All-atom Clashscore : 41.95 Ramachandran Plot: Outliers : 0.19 % Allowed : 4.51 % Favored : 95.31 % Rotamer Outliers : 2.59 % Cbeta Deviations : 0.61 % Peptide Plane: Cis-proline : 8.57 % Cis-general : 3.81 % Twisted Proline : 0.00 % Twisted General : 0.40 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.37 (0.03), residues: 31980 helix: -4.75 (0.04), residues: 1080 sheet: -2.13 (0.05), residues: 6420 loop : -2.33 (0.03), residues: 24480 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 63960 Ramachandran restraints generated. 31980 Oldfield and 0 Emsley and 31980 emsley8k. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 63960 Ramachandran restraints generated. 31980 Oldfield and 0 Emsley and 31980 emsley8k. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 12054 residues out of total 27840 (non-ALA, GLY, PRO) need a fit. rotamer outliers: 720 poor density : 11334 time to evaluate : 20.465 Fit side-chains outliers start: 720 outliers final: 419 residues processed: 11597 average time/residue: 2.2430 time to fit residues: 26049.0055 Evaluate side-chains 8580 residues out of total 27840 (non-ALA, GLY, PRO) need a fit. rotamer outliers: 419 poor density : 8161 time to evaluate : 22.244 Switching outliers to nearest non-outliers outliers start: 419 outliers final: 0 residues processed: 419 average time/residue: 2.3081 time to fit residues: 995.3587 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3180 random chunks: chunk 2685 optimal weight: 0.9980 chunk 2410 optimal weight: 6.9990 chunk 1337 optimal weight: 9.9990 chunk 823 optimal weight: 3.9990 chunk 1625 optimal weight: 30.0000 chunk 1287 optimal weight: 5.9990 chunk 2492 optimal weight: 0.8980 chunk 964 optimal weight: 0.8980 chunk 1515 optimal weight: 0.8980 chunk 1855 optimal weight: 7.9990 chunk 2887 optimal weight: 0.9980 overall best weight: 0.9380 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 59 HIS A 127 GLN A 128 GLN A 212 HIS A 252 ASN A 281 GLN A 290 HIS ** A 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 411 ASN A 422 GLN ** A 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 59 HIS B 115 ASN B 168 ASN B 212 HIS B 252 ASN B 290 HIS ** B 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 411 ASN B 422 GLN ** B 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 59 HIS C 128 GLN C 175 GLN C 190 ASN C 212 HIS C 290 HIS C 371 GLN C 382 ASN ** C 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 422 GLN ** C 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 59 HIS ** D 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 175 GLN D 190 ASN D 212 HIS D 290 HIS D 328 ASN D 339 GLN D 371 GLN ** D 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 422 GLN D 537 ASN E 59 HIS ** E 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 190 ASN E 212 HIS E 252 ASN E 285 HIS E 290 HIS E 328 ASN E 371 GLN E 382 ASN ** E 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 422 GLN E 426 HIS E 430 ASN E 527 GLN F 59 HIS F 115 ASN F 168 ASN F 212 HIS F 252 ASN F 285 HIS F 290 HIS F 318 ASN ** F 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 411 ASN F 422 GLN ** F 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** G 59 HIS G 128 GLN G 212 HIS G 252 ASN G 281 GLN G 290 HIS G 318 ASN ** G 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 357 GLN ** G 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 411 ASN G 422 GLN ** G 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 59 HIS H 115 ASN H 168 ASN H 212 HIS H 252 ASN H 285 HIS H 290 HIS H 318 ASN ** H 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 411 ASN H 422 GLN H 426 HIS I 59 HIS ** I 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 128 GLN I 212 HIS ** I 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 252 ASN I 281 GLN I 290 HIS ** I 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 357 GLN ** I 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 422 GLN J 59 HIS ** J 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 190 ASN J 212 HIS J 223 GLN J 252 ASN J 290 HIS J 328 ASN ** J 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 371 GLN ** J 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 422 GLN J 430 ASN J 527 GLN K 59 HIS ** K 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 175 GLN K 190 ASN K 212 HIS K 290 HIS K 328 ASN ** K 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 371 GLN ** K 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 422 GLN K 537 ASN ** K 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 59 HIS ** L 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 128 GLN L 175 GLN L 190 ASN L 212 HIS ** L 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 285 HIS L 290 HIS L 371 GLN L 382 ASN ** L 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 422 GLN M 59 HIS ** M 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 190 ASN M 212 HIS M 252 ASN M 285 HIS M 290 HIS M 328 ASN M 371 GLN M 382 ASN ** M 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 422 GLN N 59 HIS ** N 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 175 GLN N 190 ASN N 212 HIS N 290 HIS N 328 ASN ** N 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 371 GLN ** N 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 422 GLN N 537 ASN ** N 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 59 HIS ** O 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 212 HIS O 252 ASN O 285 HIS O 290 HIS O 328 ASN ** O 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 357 GLN O 371 GLN O 382 ASN ** O 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 422 GLN O 430 ASN O 527 GLN P 59 HIS ** P 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 175 GLN P 190 ASN P 212 HIS P 290 HIS P 328 ASN ** P 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 371 GLN ** P 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 422 GLN P 537 ASN Q 59 HIS ** Q 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 128 GLN Q 175 GLN Q 190 ASN Q 212 HIS ** Q 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 285 HIS Q 290 HIS Q 318 ASN ** Q 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 371 GLN Q 382 ASN ** Q 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 422 GLN R 59 HIS R 128 GLN R 175 GLN R 190 ASN R 212 HIS R 290 HIS ** R 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 371 GLN R 382 ASN ** R 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 422 GLN ** R 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 59 HIS S 115 ASN S 168 ASN S 212 HIS S 252 ASN S 290 HIS ** S 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 411 ASN S 422 GLN ** S 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** T 59 HIS T 128 GLN T 212 HIS ** T 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 252 ASN T 281 GLN T 290 HIS T 318 ASN ** T 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 411 ASN T 422 GLN ** T 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 59 HIS ** U 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 190 ASN U 212 HIS U 223 GLN U 252 ASN U 285 HIS U 290 HIS U 328 ASN ** U 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 371 GLN U 382 ASN ** U 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 422 GLN V 59 HIS ** V 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 175 GLN V 190 ASN V 212 HIS V 290 HIS V 328 ASN ** V 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 371 GLN ** V 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 422 GLN V 537 ASN W 59 HIS ** W 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 190 ASN W 212 HIS W 223 GLN W 252 ASN W 285 HIS W 290 HIS W 328 ASN W 371 GLN W 382 ASN ** W 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 422 GLN W 430 ASN W 527 GLN X 59 HIS ** X 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 175 GLN X 190 ASN X 212 HIS X 290 HIS X 328 ASN ** X 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 371 GLN ** X 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 422 GLN X 537 ASN Y 59 HIS ** Y 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 128 GLN Y 175 GLN Y 190 ASN Y 212 HIS ** Y 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 285 HIS Y 290 HIS Y 371 GLN Y 382 ASN ** Y 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 422 GLN Y 426 HIS Z 59 HIS ** Z 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 128 GLN Z 175 GLN Z 190 ASN Z 212 HIS Z 290 HIS ** Z 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 371 GLN Z 382 ASN ** Z 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 422 GLN ** Z 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 59 HIS ** 0 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 175 GLN 0 190 ASN 0 212 HIS 0 290 HIS 0 328 ASN ** 0 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 371 GLN ** 0 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 422 GLN 0 537 ASN 1 59 HIS ** 1 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 115 ASN 1 168 ASN 1 212 HIS 1 252 ASN 1 285 HIS 1 290 HIS ** 1 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 383 HIS ** 1 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 411 ASN 1 422 GLN 2 59 HIS 2 128 GLN 2 212 HIS 2 252 ASN 2 281 GLN 2 290 HIS ** 2 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 411 ASN 2 422 GLN ** 2 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 59 HIS ** 3 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 128 GLN 3 212 HIS 3 252 ASN 3 281 GLN 3 290 HIS 3 318 ASN ** 3 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 411 ASN 3 422 GLN ** 3 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 4 59 HIS ** 4 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 175 GLN 4 190 ASN 4 212 HIS 4 290 HIS 4 328 ASN ** 4 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 371 GLN ** 4 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 422 GLN 4 537 ASN ** 4 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 5 59 HIS ** 5 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 190 ASN 5 212 HIS 5 252 ASN 5 290 HIS 5 328 ASN ** 5 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 357 GLN 5 371 GLN 5 382 ASN ** 5 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 422 GLN 5 430 ASN 5 527 GLN a 59 HIS a 115 ASN a 168 ASN a 212 HIS a 252 ASN a 285 HIS a 290 HIS ** a 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 383 HIS ** a 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 411 ASN a 422 GLN a 426 HIS b 59 HIS ** b 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 190 ASN b 212 HIS ** b 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 285 HIS b 290 HIS b 318 ASN ** b 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 371 GLN b 382 ASN ** b 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 422 GLN c 59 HIS c 115 ASN c 168 ASN c 212 HIS c 285 HIS c 290 HIS ** c 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 383 HIS ** c 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 411 ASN c 422 GLN d 59 HIS ** d 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 190 ASN d 212 HIS d 223 GLN ** d 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 252 ASN d 290 HIS d 328 ASN d 371 GLN d 382 ASN ** d 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 422 GLN d 430 ASN d 527 GLN e 59 HIS e 175 GLN e 190 ASN e 212 HIS ** e 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 290 HIS e 371 GLN e 382 ASN ** e 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 422 GLN f 59 HIS f 128 GLN f 212 HIS f 252 ASN f 281 GLN f 290 HIS ** f 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 357 GLN ** f 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 411 ASN f 422 GLN g 59 HIS ** g 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 128 GLN g 175 GLN g 190 ASN g 212 HIS ** g 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 285 HIS g 290 HIS ** g 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 371 GLN g 382 ASN ** g 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 422 GLN ** g 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 59 HIS h 168 ASN h 212 HIS h 252 ASN h 285 HIS h 290 HIS ** h 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 411 ASN h 422 GLN ** h 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** i 59 HIS i 128 GLN i 212 HIS ** i 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 252 ASN i 281 GLN i 290 HIS i 318 ASN ** i 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 411 ASN i 422 GLN ** i 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 59 HIS j 128 GLN j 212 HIS j 252 ASN j 281 GLN j 290 HIS j 318 ASN ** j 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 357 GLN ** j 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 411 ASN j 422 GLN k 59 HIS ** k 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 190 ASN k 212 HIS k 252 ASN k 285 HIS k 290 HIS k 328 ASN ** k 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 371 GLN k 382 ASN ** k 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 422 GLN k 430 ASN k 527 GLN l 59 HIS ** l 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 175 GLN l 190 ASN l 212 HIS ** l 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 290 HIS l 371 GLN l 382 ASN ** l 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 422 GLN l 426 HIS ** l 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 59 HIS m 115 ASN m 168 ASN m 212 HIS m 252 ASN m 290 HIS ** m 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 383 HIS ** m 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 411 ASN m 422 GLN n 59 HIS ** n 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 128 GLN n 175 GLN n 190 ASN n 212 HIS ** n 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 290 HIS n 318 ASN ** n 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 371 GLN n 382 ASN ** n 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 422 GLN ** n 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 59 HIS ** o 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 115 ASN o 168 ASN o 212 HIS o 252 ASN o 285 HIS o 290 HIS o 318 ASN ** o 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 411 ASN o 422 GLN p 59 HIS ** p 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 175 GLN p 190 ASN p 212 HIS p 223 GLN p 252 ASN p 285 HIS p 290 HIS p 328 ASN p 371 GLN p 382 ASN ** p 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 422 GLN p 426 HIS q 59 HIS ** q 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 175 GLN q 190 ASN q 212 HIS q 290 HIS q 328 ASN q 339 GLN q 371 GLN ** q 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 422 GLN q 537 ASN ** q 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** r 59 HIS ** r 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 175 GLN r 190 ASN r 212 HIS r 290 HIS r 328 ASN ** r 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 371 GLN ** r 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 422 GLN r 537 ASN ** r 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** s 59 HIS ** s 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 175 GLN s 190 ASN s 212 HIS s 290 HIS s 328 ASN ** s 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 371 GLN ** s 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 422 GLN s 537 ASN ** s 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** t 59 HIS ** t 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 128 GLN t 212 HIS ** t 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 252 ASN t 281 GLN t 290 HIS ** t 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 411 ASN t 422 GLN ** t 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 59 HIS u 128 GLN u 212 HIS u 252 ASN u 281 GLN u 290 HIS ** u 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 411 ASN u 422 GLN ** u 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 59 HIS v 128 GLN v 212 HIS v 252 ASN v 281 GLN v 290 HIS ** v 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 357 GLN ** v 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 411 ASN v 422 GLN w 59 HIS ** w 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 190 ASN w 212 HIS w 252 ASN w 285 HIS w 290 HIS w 328 ASN w 371 GLN w 382 ASN ** w 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 422 GLN x 59 HIS x 115 ASN x 168 ASN x 212 HIS x 252 ASN x 285 HIS x 290 HIS x 318 ASN ** x 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 411 ASN x 422 GLN y 59 HIS y 128 GLN y 175 GLN y 190 ASN y 212 HIS y 290 HIS ** y 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 371 GLN y 382 ASN ** y 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 422 GLN ** y 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 59 HIS z 115 ASN z 168 ASN z 212 HIS z 252 ASN z 290 HIS ** z 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 411 ASN z 422 GLN 6 59 HIS ** 6 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 190 ASN 6 212 HIS 6 223 GLN 6 252 ASN 6 285 HIS 6 290 HIS 6 328 ASN ** 6 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 371 GLN 6 382 ASN ** 6 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 422 GLN 7 59 HIS ** 7 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 175 GLN 7 190 ASN 7 212 HIS 7 290 HIS 7 328 ASN ** 7 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 371 GLN ** 7 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 422 GLN 7 537 ASN ** 7 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 582 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6597 moved from start: 0.3578 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values. Bond : 0.003 0.036 268320 Angle : 0.816 12.729 366840 Chirality : 0.048 0.173 37140 Planarity : 0.006 0.064 48240 Dihedral : 6.976 38.529 34740 Min Nonbonded Distance : 2.032 Molprobity Statistics. All-atom Clashscore : 22.17 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.66 % Favored : 96.34 % Rotamer Outliers : 0.18 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 8.57 % Cis-general : 3.81 % Twisted Proline : 0.00 % Twisted General : 0.20 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.65 (0.04), residues: 31980 helix: -3.97 (0.08), residues: 1080 sheet: -1.21 (0.06), residues: 5280 loop : -1.95 (0.03), residues: 25620 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 63960 Ramachandran restraints generated. 31980 Oldfield and 0 Emsley and 31980 emsley8k. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 63960 Ramachandran restraints generated. 31980 Oldfield and 0 Emsley and 31980 emsley8k. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 10792 residues out of total 27840 (non-ALA, GLY, PRO) need a fit. rotamer outliers: 50 poor density : 10742 time to evaluate : 19.802 Fit side-chains outliers start: 50 outliers final: 47 residues processed: 10780 average time/residue: 2.1447 time to fit residues: 23153.9048 Evaluate side-chains 8009 residues out of total 27840 (non-ALA, GLY, PRO) need a fit. rotamer outliers: 47 poor density : 7962 time to evaluate : 19.884 Switching outliers to nearest non-outliers outliers start: 47 outliers final: 0 residues processed: 47 average time/residue: 2.4436 time to fit residues: 142.2509 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3180 random chunks: chunk 1604 optimal weight: 6.9990 chunk 896 optimal weight: 10.0000 chunk 2403 optimal weight: 9.9990 chunk 1966 optimal weight: 6.9990 chunk 796 optimal weight: 7.9990 chunk 2892 optimal weight: 0.9990 chunk 3125 optimal weight: 6.9990 chunk 2576 optimal weight: 6.9990 chunk 2868 optimal weight: 9.9990 chunk 986 optimal weight: 4.9990 chunk 2320 optimal weight: 1.9990 overall best weight: 4.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 128 GLN A 190 ASN A 243 GLN A 252 ASN A 279 HIS A 285 HIS A 328 ASN A 330 HIS ** A 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 382 ASN ** A 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 411 ASN A 489 ASN ** A 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 65 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 113 HIS B 115 ASN B 175 GLN B 190 ASN B 252 ASN B 270 ASN B 281 GLN B 285 HIS B 328 ASN B 382 ASN ** B 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 411 ASN B 413 HIS B 463 HIS B 489 ASN ** B 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 190 ASN C 270 ASN C 279 HIS C 281 GLN C 285 HIS ** C 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 330 HIS ** C 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 463 HIS C 489 ASN ** C 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 175 GLN D 279 HIS D 281 GLN D 285 HIS ** D 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 357 GLN ** D 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 411 ASN D 463 HIS D 489 ASN D 537 ASN E 65 HIS ** E 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 190 ASN ** E 238 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 243 GLN E 252 ASN E 279 HIS E 281 GLN E 330 HIS ** E 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 397 ASN ** E 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 411 ASN E 489 ASN ** F 65 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 113 HIS F 115 ASN F 175 GLN F 190 ASN F 252 ASN F 270 ASN F 281 GLN F 328 ASN F 357 GLN F 382 ASN ** F 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 413 HIS F 463 HIS F 489 ASN G 65 HIS ** G 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 127 GLN G 128 GLN G 190 ASN G 243 GLN G 252 ASN G 279 HIS G 285 HIS G 328 ASN G 330 HIS G 382 ASN ** G 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 411 ASN G 489 ASN ** G 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 65 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 98 ASN H 113 HIS H 115 ASN H 175 GLN H 190 ASN H 252 ASN H 270 ASN H 281 GLN H 328 ASN H 382 ASN ** H 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 411 ASN H 413 HIS H 463 HIS H 489 ASN ** H 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 65 HIS ** I 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 127 GLN I 128 GLN I 190 ASN I 243 GLN I 252 ASN I 279 HIS I 285 HIS I 328 ASN I 330 HIS I 382 ASN ** I 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 411 ASN I 489 ASN J 65 HIS ** J 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 190 ASN ** J 217 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 223 GLN J 252 ASN J 279 HIS J 281 GLN J 285 HIS J 330 HIS ** J 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 382 ASN J 397 ASN ** J 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 411 ASN J 489 ASN ** K 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 175 GLN ** K 238 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 279 HIS K 281 GLN K 285 HIS ** K 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 357 GLN ** K 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 411 ASN K 463 HIS K 489 ASN K 537 ASN ** L 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 168 ASN L 175 GLN L 190 ASN ** L 223 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 270 ASN L 279 HIS ** L 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 330 HIS ** L 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 489 ASN M 65 HIS ** M 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 190 ASN ** M 238 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 243 GLN M 252 ASN M 279 HIS M 281 GLN M 330 HIS M 357 GLN M 397 ASN ** M 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 411 ASN M 489 ASN ** N 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 175 GLN N 279 HIS N 281 GLN N 285 HIS ** N 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** N 357 GLN N 382 ASN ** N 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 411 ASN N 463 HIS N 489 ASN N 537 ASN ** O 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 252 ASN O 279 HIS O 281 GLN O 330 HIS O 397 ASN ** O 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 411 ASN O 489 ASN P 98 ASN ** P 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 175 GLN P 279 HIS P 281 GLN P 285 HIS ** P 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 357 GLN ** P 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 411 ASN P 463 HIS P 489 ASN P 537 ASN Q 190 ASN ** Q 223 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 270 ASN Q 279 HIS Q 281 GLN ** Q 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 330 HIS ** Q 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 463 HIS Q 489 ASN ** R 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 190 ASN R 270 ASN R 279 HIS R 281 GLN R 285 HIS ** R 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 330 HIS ** R 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 463 HIS R 489 ASN ** R 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 65 HIS ** S 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 113 HIS S 115 ASN S 175 GLN S 190 ASN S 270 ASN S 281 GLN S 285 HIS S 328 ASN S 382 ASN ** S 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 411 ASN S 463 HIS S 489 ASN ** S 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 65 HIS ** T 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 127 GLN T 128 GLN T 190 ASN T 243 GLN T 252 ASN T 279 HIS T 285 HIS T 328 ASN T 330 HIS T 357 GLN T 382 ASN ** T 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 411 ASN T 489 ASN ** T 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 65 HIS ** U 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 190 ASN ** U 217 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 223 GLN U 243 GLN U 252 ASN U 279 HIS U 281 GLN U 330 HIS U 357 GLN U 397 ASN ** U 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 411 ASN U 489 ASN ** V 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 175 GLN ** V 238 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 279 HIS V 281 GLN V 285 HIS ** V 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** V 357 GLN ** V 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 411 ASN V 463 HIS V 489 ASN V 537 ASN ** W 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 190 ASN ** W 217 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** W 223 GLN W 243 GLN W 252 ASN W 279 HIS W 281 GLN W 330 HIS ** W 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 397 ASN ** W 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 411 ASN W 489 ASN X 98 ASN X 128 GLN ** X 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 175 GLN X 279 HIS X 281 GLN X 285 HIS ** X 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** X 357 GLN ** X 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 411 ASN X 463 HIS X 489 ASN X 537 ASN ** Y 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 190 ASN ** Y 223 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 270 ASN Y 279 HIS Y 281 GLN ** Y 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 330 HIS ** Y 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 489 ASN ** Z 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 190 ASN Z 243 GLN Z 270 ASN Z 279 HIS Z 281 GLN Z 285 HIS ** Z 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 330 HIS Z 357 GLN ** Z 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 463 HIS Z 489 ASN ** Z 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 98 ASN 0 128 GLN ** 0 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 175 GLN 0 279 HIS 0 281 GLN 0 285 HIS ** 0 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 0 357 GLN ** 0 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 411 ASN 0 463 HIS 0 489 ASN 0 537 ASN ** 1 65 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 113 HIS 1 115 ASN 1 175 GLN 1 190 ASN 1 270 ASN 1 281 GLN 1 328 ASN 1 357 GLN 1 382 ASN ** 1 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 463 HIS 1 489 ASN 2 65 HIS ** 2 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 127 GLN 2 128 GLN 2 190 ASN 2 243 GLN 2 252 ASN 2 285 HIS 2 328 ASN 2 330 HIS 2 357 GLN 2 382 ASN ** 2 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 411 ASN 2 489 ASN ** 2 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 65 HIS 3 98 ASN 3 127 GLN 3 128 GLN 3 190 ASN 3 243 GLN 3 252 ASN 3 279 HIS 3 285 HIS 3 328 ASN 3 330 HIS 3 357 GLN 3 382 ASN ** 3 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 411 ASN 3 489 ASN ** 3 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 175 GLN ** 4 238 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 279 HIS 4 281 GLN 4 285 HIS ** 4 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 4 357 GLN ** 4 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 411 ASN 4 463 HIS 4 489 ASN 4 537 ASN 5 65 HIS ** 5 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 190 ASN ** 5 217 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 252 ASN 5 279 HIS 5 281 GLN 5 285 HIS 5 330 HIS 5 397 ASN ** 5 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 411 ASN 5 489 ASN a 65 HIS ** a 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 113 HIS a 115 ASN a 175 GLN a 190 ASN a 252 ASN a 270 ASN a 281 GLN a 328 ASN a 357 GLN a 382 ASN ** a 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 463 HIS a 489 ASN b 128 GLN b 190 ASN ** b 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 279 HIS b 330 HIS ** b 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 463 HIS b 489 ASN ** c 65 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 113 HIS c 115 ASN c 175 GLN c 190 ASN c 270 ASN c 281 GLN c 328 ASN c 382 ASN ** c 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 411 ASN c 463 HIS c 489 ASN ** c 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 65 HIS ** d 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 190 ASN ** d 217 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 223 GLN ** d 238 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 243 GLN d 252 ASN d 279 HIS d 281 GLN d 285 HIS d 330 HIS ** d 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 397 ASN ** d 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 411 ASN d 489 ASN ** e 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 190 ASN ** e 223 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 270 ASN e 279 HIS e 281 GLN e 285 HIS ** e 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 330 HIS ** e 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 489 ASN f 65 HIS ** f 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 127 GLN f 128 GLN f 190 ASN f 243 GLN f 252 ASN f 279 HIS f 285 HIS f 328 ASN f 330 HIS f 382 ASN ** f 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 411 ASN f 489 ASN ** g 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 168 ASN g 175 GLN g 190 ASN g 223 GLN ** g 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 270 ASN g 279 HIS g 330 HIS ** g 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 463 HIS g 489 ASN ** g 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 65 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 115 ASN h 190 ASN h 252 ASN h 270 ASN h 281 GLN h 328 ASN h 357 GLN h 382 ASN ** h 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 413 HIS h 463 HIS h 489 ASN i 65 HIS ** i 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 127 GLN i 128 GLN i 190 ASN i 243 GLN i 252 ASN i 279 HIS i 285 HIS i 328 ASN i 330 HIS i 357 GLN i 382 ASN ** i 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 411 ASN i 489 ASN ** i 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 65 HIS ** j 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 127 GLN j 128 GLN j 190 ASN j 243 GLN j 252 ASN j 279 HIS j 285 HIS j 328 ASN j 330 HIS j 382 ASN ** j 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 411 ASN j 489 ASN k 65 HIS ** k 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 128 GLN k 190 ASN ** k 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 252 ASN k 279 HIS k 281 GLN k 330 HIS ** k 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 397 ASN ** k 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 411 ASN k 489 ASN ** l 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 190 ASN l 223 GLN ** l 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 270 ASN l 279 HIS l 285 HIS ** l 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 330 HIS ** l 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 463 HIS l 489 ASN ** l 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 65 HIS ** m 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 113 HIS m 115 ASN m 175 GLN m 190 ASN m 270 ASN m 281 GLN m 285 HIS m 328 ASN m 357 GLN m 382 ASN ** m 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 413 HIS m 463 HIS m 489 ASN n 190 ASN n 270 ASN n 279 HIS n 281 GLN n 285 HIS ** n 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 330 HIS n 357 GLN ** n 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 489 ASN ** n 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 65 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 113 HIS o 115 ASN o 175 GLN o 190 ASN o 252 ASN o 270 ASN o 281 GLN o 328 ASN o 382 ASN ** o 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 411 ASN o 413 HIS o 463 HIS o 489 ASN ** o 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 65 HIS ** p 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 190 ASN ** p 217 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 223 GLN ** p 238 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 243 GLN p 252 ASN p 279 HIS p 281 GLN p 330 HIS p 357 GLN p 397 ASN ** p 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 411 ASN p 489 ASN q 98 ASN ** q 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 175 GLN q 279 HIS q 281 GLN q 285 HIS ** q 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** q 357 GLN ** q 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 411 ASN q 463 HIS q 489 ASN q 537 ASN r 98 ASN ** r 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 279 HIS r 281 GLN r 285 HIS ** r 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** r 357 GLN r 382 ASN ** r 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 411 ASN r 463 HIS r 489 ASN r 537 ASN ** s 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 175 GLN s 279 HIS s 281 GLN s 285 HIS ** s 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** s 357 GLN ** s 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 411 ASN s 463 HIS s 489 ASN s 537 ASN t 65 HIS ** t 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 127 GLN t 128 GLN t 165 GLN t 190 ASN t 243 GLN t 252 ASN t 279 HIS t 285 HIS t 328 ASN t 330 HIS t 357 GLN t 382 ASN ** t 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 411 ASN t 489 ASN ** t 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 65 HIS u 98 ASN u 127 GLN u 128 GLN u 190 ASN u 243 GLN u 252 ASN u 279 HIS u 285 HIS u 328 ASN u 330 HIS u 357 GLN u 382 ASN ** u 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 411 ASN u 489 ASN ** u 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 65 HIS ** v 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 127 GLN v 128 GLN v 190 ASN v 243 GLN v 252 ASN v 279 HIS v 285 HIS v 328 ASN v 330 HIS v 382 ASN ** v 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 411 ASN v 489 ASN ** w 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 190 ASN w 243 GLN w 252 ASN w 279 HIS w 281 GLN w 330 HIS w 357 GLN w 397 ASN ** w 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 411 ASN w 489 ASN x 65 HIS ** x 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 113 HIS x 115 ASN x 175 GLN x 190 ASN x 270 ASN x 281 GLN x 328 ASN x 357 GLN x 382 ASN ** x 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 413 HIS x 463 HIS x 489 ASN ** y 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 190 ASN y 270 ASN y 279 HIS y 281 GLN y 285 HIS ** y 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 330 HIS ** y 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 489 ASN ** y 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 65 HIS ** z 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 113 HIS z 115 ASN z 175 GLN z 190 ASN z 270 ASN z 281 GLN z 285 HIS z 328 ASN z 382 ASN ** z 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 411 ASN z 463 HIS z 489 ASN ** z 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 65 HIS ** 6 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 190 ASN ** 6 217 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 223 GLN 6 243 GLN 6 252 ASN 6 279 HIS 6 281 GLN 6 330 HIS 6 357 GLN 6 397 ASN ** 6 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 411 ASN 6 489 ASN ** 7 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 175 GLN ** 7 238 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 279 HIS 7 281 GLN 7 285 HIS ** 7 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 7 357 GLN 7 382 ASN ** 7 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 411 ASN 7 463 HIS 7 489 ASN 7 537 ASN Total number of N/Q/H flips: 651 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6707 moved from start: 0.4054 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values. Bond : 0.006 0.063 268320 Angle : 0.864 13.257 366840 Chirality : 0.051 0.204 37140 Planarity : 0.006 0.073 48240 Dihedral : 7.004 36.060 34740 Min Nonbonded Distance : 1.967 Molprobity Statistics. All-atom Clashscore : 24.41 Ramachandran Plot: Outliers : 0.00 % Allowed : 6.44 % Favored : 93.56 % Rotamer Outliers : 0.17 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 8.57 % Cis-general : 3.81 % Twisted Proline : 0.00 % Twisted General : 0.20 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.48 (0.04), residues: 31980 helix: -3.66 (0.10), residues: 1080 sheet: -0.71 (0.06), residues: 6000 loop : -1.96 (0.03), residues: 24900 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 63960 Ramachandran restraints generated. 31980 Oldfield and 0 Emsley and 31980 emsley8k. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 63960 Ramachandran restraints generated. 31980 Oldfield and 0 Emsley and 31980 emsley8k. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 9701 residues out of total 27840 (non-ALA, GLY, PRO) need a fit. rotamer outliers: 48 poor density : 9653 time to evaluate : 20.094 Fit side-chains outliers start: 48 outliers final: 0 residues processed: 9672 average time/residue: 2.1922 time to fit residues: 21238.2458 Evaluate side-chains 7993 residues out of total 27840 (non-ALA, GLY, PRO) need a fit. rotamer outliers: 0 poor density : 7993 time to evaluate : 22.401 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 29.7661 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3180 random chunks: chunk 2858 optimal weight: 9.9990 chunk 2175 optimal weight: 0.9980 chunk 1501 optimal weight: 9.9990 chunk 320 optimal weight: 1.9990 chunk 1380 optimal weight: 2.9990 chunk 1942 optimal weight: 8.9990 chunk 2903 optimal weight: 8.9990 chunk 3073 optimal weight: 20.0000 chunk 1516 optimal weight: 0.7980 chunk 2751 optimal weight: 3.9990 chunk 828 optimal weight: 0.0570 overall best weight: 1.3702 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 98 ASN ** A 127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 168 ASN A 190 ASN ** A 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 489 ASN ** A 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 65 HIS ** B 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 115 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 168 ASN B 175 GLN B 190 ASN ** B 222 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 270 ASN B 350 ASN ** B 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 489 ASN ** B 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 98 ASN C 127 GLN C 175 GLN C 190 ASN ** C 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 270 ASN ** C 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 357 GLN ** C 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 489 ASN ** C 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 65 HIS D 98 ASN D 175 GLN D 190 ASN ** D 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 382 ASN ** D 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 411 ASN D 489 ASN ** D 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** E 98 ASN E 190 ASN E 252 ASN ** E 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 489 ASN ** E 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 65 HIS F 98 ASN ** F 115 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 175 GLN F 190 ASN ** F 222 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 270 ASN F 350 ASN ** F 371 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 489 ASN G 98 ASN G 190 ASN ** G 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 489 ASN ** G 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 541 HIS H 65 HIS ** H 115 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 175 GLN H 190 ASN H 270 ASN H 350 ASN ** H 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 489 ASN ** H 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 537 ASN ** H 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 98 ASN I 190 ASN ** I 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 489 ASN J 98 ASN J 190 ASN J 252 ASN ** J 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 489 ASN ** J 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 65 HIS K 98 ASN ** K 127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 175 GLN K 190 ASN K 330 HIS K 382 ASN ** K 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 411 ASN ** K 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 489 ASN L 98 ASN L 113 HIS L 127 GLN L 190 ASN ** L 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 270 ASN ** L 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 371 GLN ** L 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 489 ASN M 98 ASN M 190 ASN M 222 ASN M 252 ASN ** M 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 489 ASN ** M 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 65 HIS N 98 ASN N 175 GLN N 190 ASN N 330 HIS ** N 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 489 ASN ** N 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 65 HIS O 98 ASN O 252 ASN ** O 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 489 ASN ** O 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 65 HIS P 175 GLN P 190 ASN ** P 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 382 ASN ** P 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 411 ASN P 489 ASN ** P 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Q 98 ASN Q 127 GLN Q 190 ASN ** Q 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 270 ASN ** Q 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 371 GLN ** Q 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 489 ASN R 98 ASN R 127 GLN R 175 GLN R 190 ASN ** R 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 270 ASN ** R 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 489 ASN ** R 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 98 ASN ** S 115 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 190 ASN S 270 ASN S 350 ASN ** S 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 489 ASN ** S 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 98 ASN T 190 ASN ** T 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 489 ASN ** T 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 541 HIS U 98 ASN U 190 ASN U 252 ASN ** U 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 489 ASN ** U 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 65 HIS V 98 ASN V 175 GLN V 190 ASN V 330 HIS V 382 ASN ** V 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 411 ASN V 489 ASN ** V 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** W 65 HIS W 98 ASN W 190 ASN W 252 ASN ** W 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 489 ASN ** W 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 65 HIS X 127 GLN X 175 GLN X 190 ASN X 330 HIS X 382 ASN ** X 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 489 ASN ** X 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Y 98 ASN Y 127 GLN Y 190 ASN ** Y 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 270 ASN ** Y 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 371 GLN ** Y 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 489 ASN Z 98 ASN Z 127 GLN Z 175 GLN Z 190 ASN Z 270 ASN ** Z 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 489 ASN ** Z 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 65 HIS 0 175 GLN 0 190 ASN 0 330 HIS 0 382 ASN ** 0 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 489 ASN ** 0 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 1 65 HIS 1 98 ASN ** 1 115 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 190 ASN 1 270 ASN 1 350 ASN 1 489 ASN 1 537 ASN ** 1 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 190 ASN ** 2 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 489 ASN ** 2 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 190 ASN ** 3 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 489 ASN ** 3 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 65 HIS 4 98 ASN 4 175 GLN 4 190 ASN 4 330 HIS 4 382 ASN ** 4 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 411 ASN 4 489 ASN 5 98 ASN 5 190 ASN 5 252 ASN ** 5 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 489 ASN ** 5 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 98 ASN a 115 ASN a 175 GLN a 190 ASN a 252 ASN a 270 ASN a 350 ASN ** a 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 413 HIS a 489 ASN a 537 ASN ** a 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 98 ASN b 175 GLN b 190 ASN ** b 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 270 ASN ** b 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 489 ASN ** b 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** c 65 HIS c 98 ASN ** c 115 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 190 ASN ** c 222 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 270 ASN ** c 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 489 ASN ** c 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 537 ASN ** c 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 98 ASN d 190 ASN d 252 ASN ** d 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 489 ASN ** d 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 98 ASN e 128 GLN e 175 GLN e 190 ASN ** e 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 270 ASN ** e 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 371 GLN ** e 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 489 ASN f 98 ASN f 190 ASN ** f 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 489 ASN g 98 ASN g 127 GLN g 190 ASN g 223 GLN ** g 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 270 ASN ** g 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 489 ASN ** g 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 65 HIS h 98 ASN h 115 ASN h 190 ASN h 270 ASN h 350 ASN ** h 371 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 489 ASN i 98 ASN i 190 ASN ** i 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 489 ASN ** i 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 98 ASN j 190 ASN ** j 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 463 HIS j 489 ASN k 98 ASN k 222 ASN ** k 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 252 ASN ** k 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 489 ASN ** k 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 98 ASN l 175 GLN l 190 ASN l 223 GLN ** l 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 270 ASN ** l 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 489 ASN ** l 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 98 ASN ** m 115 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 190 ASN m 270 ASN m 350 ASN m 404 GLN m 489 ASN m 537 ASN ** m 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 98 ASN n 127 GLN n 175 GLN n 190 ASN ** n 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 270 ASN ** n 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 489 ASN ** n 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 65 HIS o 98 ASN o 115 ASN o 175 GLN o 190 ASN o 270 ASN o 350 ASN ** o 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 489 ASN ** o 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 537 ASN ** o 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 190 ASN p 252 ASN ** p 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 489 ASN ** p 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 65 HIS q 175 GLN q 190 ASN q 330 HIS q 382 ASN ** q 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 411 ASN ** q 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** q 489 ASN r 65 HIS r 127 GLN r 175 GLN r 190 ASN r 330 HIS ** r 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 489 ASN s 65 HIS s 98 ASN s 175 GLN s 190 ASN ** s 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** s 382 ASN ** s 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 489 ASN ** s 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** t 98 ASN t 190 ASN ** t 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 463 HIS t 489 ASN ** t 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 190 ASN u 252 ASN ** u 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 489 ASN ** u 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 98 ASN v 190 ASN ** v 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 489 ASN w 65 HIS w 98 ASN w 190 ASN w 252 ASN ** w 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 489 ASN ** w 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 98 ASN x 115 ASN x 190 ASN x 270 ASN x 350 ASN x 404 GLN ** x 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 489 ASN x 537 ASN ** x 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 98 ASN y 127 GLN y 175 GLN y 190 ASN ** y 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 270 ASN ** y 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 489 ASN ** y 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 98 ASN z 115 ASN z 190 ASN z 270 ASN z 350 ASN ** z 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 489 ASN ** z 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 537 ASN ** z 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 98 ASN 6 190 ASN 6 252 ASN ** 6 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 489 ASN ** 6 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 65 HIS 7 98 ASN 7 175 GLN 7 190 ASN 7 330 HIS ** 7 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 489 ASN ** 7 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 331 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6633 moved from start: 0.4929 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values. Bond : 0.003 0.035 268320 Angle : 0.786 12.845 366840 Chirality : 0.047 0.218 37140 Planarity : 0.006 0.092 48240 Dihedral : 6.257 36.409 34740 Min Nonbonded Distance : 1.993 Molprobity Statistics. All-atom Clashscore : 20.53 Ramachandran Plot: Outliers : 0.00 % Allowed : 5.71 % Favored : 94.29 % Rotamer Outliers : 0.36 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 8.57 % Cis-general : 3.81 % Twisted Proline : 0.00 % Twisted General : 0.20 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.25 (0.04), residues: 31980 helix: -2.38 (0.16), residues: 660 sheet: -0.54 (0.06), residues: 5100 loop : -1.84 (0.03), residues: 26220 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 63960 Ramachandran restraints generated. 31980 Oldfield and 0 Emsley and 31980 emsley8k. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 63960 Ramachandran restraints generated. 31980 Oldfield and 0 Emsley and 31980 emsley8k. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 10043 residues out of total 27840 (non-ALA, GLY, PRO) need a fit. rotamer outliers: 101 poor density : 9942 time to evaluate : 23.474 Fit side-chains outliers start: 101 outliers final: 15 residues processed: 10026 average time/residue: 2.3430 time to fit residues: 23526.6058 Evaluate side-chains 8002 residues out of total 27840 (non-ALA, GLY, PRO) need a fit. rotamer outliers: 15 poor density : 7987 time to evaluate : 22.415 Switching outliers to nearest non-outliers outliers start: 15 outliers final: 0 residues processed: 15 average time/residue: 2.3723 time to fit residues: 65.1113 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3180 random chunks: chunk 2559 optimal weight: 8.9990 chunk 1744 optimal weight: 8.9990 chunk 44 optimal weight: 4.9990 chunk 2288 optimal weight: 7.9990 chunk 1268 optimal weight: 7.9990 chunk 2623 optimal weight: 9.9990 chunk 2124 optimal weight: 0.2980 chunk 3 optimal weight: 0.8980 chunk 1569 optimal weight: 9.9990 chunk 2758 optimal weight: 9.9990 chunk 775 optimal weight: 0.0970 overall best weight: 2.8582 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 127 GLN A 252 ASN ** A 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 411 ASN A 463 HIS A 489 ASN ** A 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 541 HIS A 544 ASN B 98 ASN B 168 ASN B 175 GLN B 270 ASN ** B 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 489 ASN B 527 GLN C 128 GLN ** C 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 270 ASN ** C 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 371 GLN C 411 ASN C 489 ASN ** C 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 168 ASN D 175 GLN D 330 HIS D 371 GLN ** D 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 489 ASN D 537 ASN ** E 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 168 ASN E 190 ASN E 371 GLN E 397 ASN ** E 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 489 ASN F 115 ASN F 175 GLN F 270 ASN ** F 283 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 371 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 489 ASN G 128 GLN G 252 ASN ** G 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 463 HIS G 489 ASN ** G 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 541 HIS H 113 HIS H 115 ASN H 168 ASN H 175 GLN H 270 ASN ** H 283 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 489 ASN H 527 GLN H 541 HIS ** I 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 128 GLN I 252 ASN I 411 ASN I 463 HIS I 489 ASN I 541 HIS I 544 ASN J 190 ASN J 371 GLN J 397 ASN ** J 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 489 ASN J 541 HIS ** K 127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 175 GLN ** K 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 489 ASN K 537 ASN ** K 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 270 ASN ** L 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 489 ASN L 541 HIS M 168 ASN M 190 ASN M 222 ASN M 397 ASN ** M 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 489 ASN M 541 HIS N 168 ASN N 175 GLN ** N 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 489 ASN N 537 ASN O 168 ASN ** O 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 371 GLN O 397 ASN O 489 ASN P 175 GLN P 330 HIS P 411 ASN P 489 ASN P 537 ASN Q 128 GLN ** Q 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 270 ASN ** Q 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 489 ASN Q 541 HIS R 175 GLN ** R 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 270 ASN ** R 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 357 GLN R 371 GLN ** R 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 489 ASN ** R 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 541 HIS ** S 115 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 175 GLN S 270 ASN ** S 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 489 ASN S 527 GLN T 128 GLN T 228 ASN T 252 ASN T 411 ASN T 463 HIS T 489 ASN ** T 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 541 HIS U 168 ASN U 190 ASN U 397 ASN ** U 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 489 ASN U 541 HIS V 168 ASN V 175 GLN ** V 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 489 ASN V 537 ASN W 168 ASN W 190 ASN W 371 GLN W 397 ASN W 411 ASN W 489 ASN W 541 HIS X 175 GLN ** X 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 489 ASN X 537 ASN Y 128 GLN ** Y 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 270 ASN ** Y 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 489 ASN Y 541 HIS Z 128 GLN ** Z 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 270 ASN ** Z 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 489 ASN ** Z 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 0 168 ASN 0 175 GLN ** 0 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 489 ASN 0 537 ASN 1 115 ASN 1 175 GLN 1 270 ASN 1 330 HIS ** 1 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 489 ASN 1 537 ASN 1 541 HIS ** 2 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 128 GLN 2 228 ASN 2 252 ASN 2 411 ASN 2 463 HIS 2 489 ASN ** 2 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 541 HIS 2 544 ASN 3 128 GLN 3 252 ASN 3 411 ASN 3 463 HIS 3 489 ASN ** 3 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 541 HIS 3 544 ASN 4 175 GLN ** 4 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 371 GLN ** 4 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 489 ASN 4 537 ASN 4 541 HIS 5 190 ASN ** 5 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 371 GLN 5 397 ASN ** 5 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 411 ASN 5 489 ASN 5 541 HIS a 113 HIS a 115 ASN a 175 GLN a 270 ASN ** a 283 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 489 ASN a 541 HIS ** b 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 175 GLN b 190 ASN ** b 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 270 ASN b 357 GLN ** b 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 489 ASN c 115 ASN c 168 ASN c 175 GLN c 243 GLN c 270 ASN ** c 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 489 ASN c 527 GLN c 537 ASN c 541 HIS d 168 ASN d 190 ASN d 371 GLN d 397 ASN ** d 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 489 ASN d 541 HIS ** e 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 270 ASN ** e 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 489 ASN e 541 HIS f 128 GLN f 252 ASN f 411 ASN f 463 HIS f 489 ASN f 541 HIS g 128 GLN ** g 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 270 ASN ** g 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** g 357 GLN g 371 GLN g 411 ASN g 489 ASN ** g 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 541 HIS h 115 ASN h 175 GLN h 270 ASN ** h 283 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 330 HIS ** h 371 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 489 ASN i 128 GLN i 252 ASN ** i 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 463 HIS i 489 ASN ** i 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 541 HIS i 544 ASN j 128 GLN j 252 ASN j 411 ASN j 489 ASN j 541 HIS j 544 ASN k 222 ASN ** k 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 371 GLN k 397 ASN ** k 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 489 ASN l 128 GLN l 175 GLN ** l 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 270 ASN ** l 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** l 357 GLN l 489 ASN ** l 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** m 113 HIS m 115 ASN m 175 GLN m 270 ASN ** m 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 489 ASN m 541 HIS n 128 GLN ** n 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 270 ASN ** n 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 371 GLN n 463 HIS n 489 ASN ** n 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 541 HIS o 115 ASN o 168 ASN o 175 GLN o 270 ASN ** o 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 489 ASN o 527 GLN o 541 HIS p 98 ASN p 168 ASN p 190 ASN ** p 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 397 ASN ** p 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 489 ASN q 168 ASN q 175 GLN ** q 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** q 489 ASN q 537 ASN q 541 HIS r 168 ASN r 175 GLN ** r 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 489 ASN r 537 ASN r 541 HIS s 168 ASN s 175 GLN s 228 ASN ** s 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 489 ASN s 537 ASN t 98 ASN t 128 GLN t 228 ASN t 252 ASN ** t 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 489 ASN ** t 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 541 HIS t 544 ASN u 128 GLN u 190 ASN ** u 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 463 HIS u 489 ASN ** u 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 541 HIS u 544 ASN v 128 GLN v 252 ASN ** v 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 411 ASN v 463 HIS v 489 ASN v 541 HIS v 544 ASN w 168 ASN w 190 ASN w 397 ASN ** w 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 489 ASN w 541 HIS x 115 ASN x 175 GLN x 270 ASN ** x 283 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 330 HIS ** x 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 489 ASN x 541 HIS y 175 GLN ** y 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 270 ASN ** y 309 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 357 GLN y 371 GLN y 463 HIS y 489 ASN ** y 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** z 115 ASN z 175 GLN z 270 ASN ** z 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 489 ASN z 527 GLN z 541 HIS 6 168 ASN 6 190 ASN 6 397 ASN ** 6 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 489 ASN 6 541 HIS 7 168 ASN 7 175 GLN 7 411 ASN 7 489 ASN 7 537 ASN Total number of N/Q/H flips: 327 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6676 moved from start: 0.4977 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values. Bond : 0.005 0.060 268320 Angle : 0.823 12.993 366840 Chirality : 0.049 0.228 37140 Planarity : 0.006 0.097 48240 Dihedral : 6.319 36.972 34740 Min Nonbonded Distance : 1.991 Molprobity Statistics. All-atom Clashscore : 21.97 Ramachandran Plot: Outliers : 0.04 % Allowed : 7.57 % Favored : 92.39 % Rotamer Outliers : 0.21 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 8.57 % Cis-general : 3.81 % Twisted Proline : 0.00 % Twisted General : 0.20 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.33 (0.04), residues: 31980 helix: -2.20 (0.17), residues: 660 sheet: -0.52 (0.07), residues: 5100 loop : -1.92 (0.03), residues: 26220 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 63960 Ramachandran restraints generated. 31980 Oldfield and 0 Emsley and 31980 emsley8k. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 63960 Ramachandran restraints generated. 31980 Oldfield and 0 Emsley and 31980 emsley8k. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 9519 residues out of total 27840 (non-ALA, GLY, PRO) need a fit. rotamer outliers: 59 poor density : 9460 time to evaluate : 22.255 Fit side-chains outliers start: 59 outliers final: 16 residues processed: 9508 average time/residue: 2.3966 time to fit residues: 22824.0356 Evaluate side-chains 7952 residues out of total 27840 (non-ALA, GLY, PRO) need a fit. rotamer outliers: 16 poor density : 7936 time to evaluate : 22.498 Switching outliers to nearest non-outliers outliers start: 16 outliers final: 0 residues processed: 16 average time/residue: 3.0176 time to fit residues: 78.1778 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3180 random chunks: chunk 1034 optimal weight: 8.9990 chunk 2768 optimal weight: 7.9990 chunk 607 optimal weight: 4.9990 chunk 1804 optimal weight: 9.9990 chunk 758 optimal weight: 1.9990 chunk 3076 optimal weight: 6.9990 chunk 2554 optimal weight: 9.9990 chunk 1424 optimal weight: 0.0030 chunk 255 optimal weight: 3.9990 chunk 1017 optimal weight: 9.9990 chunk 1615 optimal weight: 10.0000 overall best weight: 3.5998 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 128 GLN A 252 ASN ** A 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 489 ASN ** A 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 147 ASN B 175 GLN ** B 222 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** B 270 ASN ** B 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 411 ASN B 489 ASN C 128 GLN ** C 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 270 ASN ** C 283 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 309 ASN C 448 GLN C 489 ASN ** C 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 175 GLN D 411 ASN D 489 ASN D 537 ASN ** E 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 175 GLN E 252 ASN ** E 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 397 ASN E 463 HIS E 489 ASN F 115 ASN F 175 GLN F 270 ASN ** F 371 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 489 ASN G 128 GLN G 371 GLN ** G 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 489 ASN ** G 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 115 ASN H 175 GLN H 243 GLN H 270 ASN ** H 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 489 ASN ** I 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 128 GLN I 411 ASN I 489 ASN J 175 GLN J 238 GLN J 252 ASN J 397 ASN J 463 HIS J 489 ASN ** K 127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 175 GLN ** K 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 371 GLN K 411 ASN ** K 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 489 ASN K 537 ASN ** K 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 270 ASN L 309 ASN L 448 GLN L 489 ASN M 168 ASN M 252 ASN ** M 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 397 ASN M 489 ASN N 175 GLN N 371 GLN ** N 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 489 ASN N 537 ASN O 113 HIS O 190 ASN ** O 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 252 ASN ** O 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 489 ASN P 175 GLN P 371 GLN ** P 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 489 ASN P 537 ASN Q 128 GLN ** Q 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 283 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 309 ASN ** Q 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 448 GLN Q 489 ASN ** R 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 270 ASN R 309 ASN R 411 ASN R 448 GLN R 489 ASN ** R 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 175 GLN S 228 ASN S 241 ASN S 270 ASN ** S 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 413 HIS S 489 ASN T 128 GLN T 228 ASN T 252 ASN ** T 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 489 ASN ** T 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 168 ASN U 175 GLN U 238 GLN U 252 ASN U 463 HIS U 489 ASN V 175 GLN ** V 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 371 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 411 ASN V 489 ASN V 537 ASN W 175 GLN W 252 ASN ** W 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 397 ASN W 489 ASN X 175 GLN X 190 ASN X 411 ASN X 413 HIS X 489 ASN X 537 ASN Y 128 GLN ** Y 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 270 ASN Y 309 ASN Y 448 GLN Y 489 ASN ** Z 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 270 ASN Z 309 ASN ** Z 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 448 GLN Z 489 ASN ** Z 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 0 175 GLN ** 0 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 371 GLN ** 0 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 489 ASN 0 537 ASN 1 115 ASN 1 175 GLN 1 270 ASN 1 489 ASN 2 98 ASN 2 128 GLN 2 228 ASN 2 252 ASN 2 411 ASN 2 489 ASN ** 2 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 223 GLN ** 3 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 411 ASN 3 489 ASN ** 3 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 175 GLN ** 4 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 411 ASN 4 489 ASN 4 537 ASN 5 252 ASN 5 357 GLN 5 489 ASN a 175 GLN a 270 ASN a 371 GLN a 489 ASN ** b 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 270 ASN ** b 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 448 GLN b 489 ASN c 115 ASN c 147 ASN c 175 GLN ** c 222 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 270 ASN ** c 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 489 ASN d 238 GLN d 252 ASN ** d 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 397 ASN d 489 ASN ** e 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 270 ASN e 309 ASN e 448 GLN e 489 ASN f 128 GLN f 252 ASN f 411 ASN f 489 ASN g 128 GLN ** g 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 270 ASN ** g 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** g 448 GLN g 489 ASN ** g 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 147 ASN h 175 GLN h 270 ASN ** h 350 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 371 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 383 HIS h 489 ASN i 128 GLN ** i 223 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 489 ASN ** i 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 98 ASN j 128 GLN ** j 223 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 252 ASN j 411 ASN j 489 ASN k 113 HIS k 175 GLN k 190 ASN ** k 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 252 ASN ** k 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 397 ASN k 489 ASN ** l 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 270 ASN ** l 283 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 309 ASN ** l 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 371 GLN l 448 GLN l 489 ASN ** l 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** m 115 ASN m 175 GLN m 270 ASN ** m 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 489 ASN n 128 GLN ** n 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 270 ASN n 309 ASN n 448 GLN n 489 ASN ** n 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 175 GLN o 270 ASN ** o 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 489 ASN p 238 GLN p 252 ASN ** p 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 397 ASN p 463 HIS p 489 ASN q 175 GLN q 371 GLN q 411 ASN ** q 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** q 489 ASN q 537 ASN r 175 GLN ** r 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 371 GLN ** r 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 489 ASN r 537 ASN s 65 HIS s 175 GLN ** s 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** s 371 GLN s 489 ASN s 537 ASN t 128 GLN t 228 ASN t 252 ASN t 383 HIS ** t 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 489 ASN ** t 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 128 GLN u 190 ASN u 252 ASN ** u 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 489 ASN ** u 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 128 GLN v 411 ASN v 489 ASN w 175 GLN w 252 ASN w 357 GLN w 397 ASN ** w 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 489 ASN x 270 ASN ** x 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 489 ASN ** y 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 270 ASN y 309 ASN y 448 GLN y 489 ASN ** y 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** z 147 ASN z 175 GLN z 270 ASN ** z 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 489 ASN 6 175 GLN 6 238 GLN 6 252 ASN ** 6 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 397 ASN ** 6 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 463 HIS 6 489 ASN 7 175 GLN 7 190 ASN 7 371 GLN 7 489 ASN 7 537 ASN Total number of N/Q/H flips: 260 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6694 moved from start: 0.5076 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values. Bond : 0.005 0.076 268320 Angle : 0.841 13.096 366840 Chirality : 0.050 0.255 37140 Planarity : 0.006 0.089 48240 Dihedral : 6.460 37.571 34740 Min Nonbonded Distance : 2.000 Molprobity Statistics. All-atom Clashscore : 23.24 Ramachandran Plot: Outliers : 0.13 % Allowed : 8.16 % Favored : 91.71 % Rotamer Outliers : 0.19 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 8.57 % Cis-general : 3.81 % Twisted Proline : 0.00 % Twisted General : 0.20 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.54 (0.04), residues: 31980 helix: -3.24 (0.11), residues: 1080 sheet: -0.66 (0.06), residues: 6060 loop : -2.06 (0.03), residues: 24840 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 63960 Ramachandran restraints generated. 31980 Oldfield and 0 Emsley and 31980 emsley8k. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 63960 Ramachandran restraints generated. 31980 Oldfield and 0 Emsley and 31980 emsley8k. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 9504 residues out of total 27840 (non-ALA, GLY, PRO) need a fit. rotamer outliers: 52 poor density : 9452 time to evaluate : 23.188 Fit side-chains outliers start: 52 outliers final: 4 residues processed: 9496 average time/residue: 2.4079 time to fit residues: 22902.9529 Evaluate side-chains 8096 residues out of total 27840 (non-ALA, GLY, PRO) need a fit. rotamer outliers: 4 poor density : 8092 time to evaluate : 22.716 Switching outliers to nearest non-outliers outliers start: 4 outliers final: 0 residues processed: 4 average time/residue: 3.0772 time to fit residues: 42.5243 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3180 random chunks: chunk 2966 optimal weight: 9.9990 chunk 346 optimal weight: 10.0000 chunk 1753 optimal weight: 7.9990 chunk 2246 optimal weight: 9.9990 chunk 1740 optimal weight: 9.9990 chunk 2590 optimal weight: 40.0000 chunk 1718 optimal weight: 6.9990 chunk 3065 optimal weight: 9.9990 chunk 1918 optimal weight: 0.9990 chunk 1868 optimal weight: 9.9990 chunk 1415 optimal weight: 5.9990 overall best weight: 6.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 127 GLN A 128 GLN A 241 ASN A 383 HIS A 411 ASN A 489 ASN ** A 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 113 HIS B 168 ASN B 175 GLN B 190 ASN B 270 ASN B 330 HIS ** B 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 371 GLN B 489 ASN ** C 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 270 ASN ** C 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 489 ASN ** C 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 65 HIS ** D 115 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 128 GLN D 175 GLN ** D 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 357 GLN ** D 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 411 ASN D 489 ASN D 537 ASN ** E 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 113 HIS E 175 GLN ** E 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 411 ASN E 489 ASN F 113 HIS F 168 ASN F 175 GLN F 190 ASN F 270 ASN F 330 HIS F 371 GLN F 411 ASN F 489 ASN G 241 ASN G 383 HIS G 411 ASN G 489 ASN ** G 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 168 ASN H 270 ASN H 330 HIS H 371 GLN H 489 ASN H 537 ASN ** I 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 252 ASN I 411 ASN I 489 ASN J 113 HIS J 175 GLN ** J 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 411 ASN J 489 ASN K 65 HIS ** K 113 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 127 GLN K 128 GLN K 175 GLN ** K 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 357 GLN ** K 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 489 ASN K 537 ASN ** K 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 128 GLN L 168 ASN ** L 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 270 ASN ** L 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 383 HIS L 411 ASN L 420 HIS L 489 ASN ** M 238 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 411 ASN M 463 HIS M 489 ASN N 65 HIS N 175 GLN N 357 GLN N 411 ASN N 489 ASN N 537 ASN O 190 ASN ** O 238 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 463 HIS O 489 ASN P 65 HIS ** P 113 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 128 GLN P 168 ASN P 175 GLN ** P 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 357 GLN ** P 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 411 ASN P 489 ASN P 537 ASN Q 128 GLN Q 168 ASN ** Q 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 283 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 383 HIS Q 411 ASN Q 489 ASN ** R 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 270 ASN ** R 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** R 489 ASN ** R 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 113 HIS S 175 GLN S 190 ASN S 270 ASN S 279 HIS S 330 HIS S 371 GLN S 489 ASN T 228 ASN T 241 ASN ** T 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** T 489 ASN ** T 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 115 ASN U 168 ASN U 175 GLN ** U 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 411 ASN U 489 ASN ** V 65 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 113 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 115 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** V 128 GLN V 175 GLN ** V 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 357 GLN ** V 448 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 489 ASN V 537 ASN W 115 ASN W 175 GLN ** W 238 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 397 ASN W 411 ASN W 463 HIS W 489 ASN ** X 65 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 115 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 128 GLN X 168 ASN X 175 GLN ** X 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 489 ASN X 537 ASN Y 128 GLN ** Y 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Y 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 270 ASN ** Y 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 383 HIS Y 411 ASN Y 420 HIS Y 489 ASN ** Z 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 270 ASN ** Z 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Z 489 ASN ** Z 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 0 65 HIS 0 128 GLN 0 168 ASN 0 175 GLN 0 357 GLN 0 411 ASN 0 489 ASN ** 0 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 113 HIS 1 168 ASN 1 175 GLN 1 190 ASN 1 270 ASN ** 1 350 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 413 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 1 489 ASN 2 98 ASN 2 127 GLN 2 128 GLN 2 168 ASN 2 228 ASN 2 383 HIS 2 411 ASN 2 489 ASN ** 2 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 127 GLN 3 168 ASN 3 223 GLN 3 241 ASN ** 3 371 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 383 HIS ** 3 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 489 ASN ** 3 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 65 HIS ** 4 115 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 175 GLN 4 489 ASN 4 537 ASN 5 175 GLN ** 5 238 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 353 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 463 HIS 5 489 ASN a 115 ASN a 168 ASN a 175 GLN ** a 222 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 270 ASN a 330 HIS a 371 GLN a 411 ASN a 489 ASN ** b 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 113 HIS b 128 GLN ** b 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 270 ASN ** b 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 411 ASN b 489 ASN c 168 ASN c 175 GLN c 270 ASN c 330 HIS c 371 GLN ** c 413 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** c 489 ASN c 537 ASN ** d 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 397 ASN d 411 ASN d 463 HIS d 489 ASN ** e 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 270 ASN ** e 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 383 HIS e 411 ASN e 489 ASN f 168 ASN f 241 ASN f 383 HIS f 489 ASN g 128 GLN g 168 ASN ** g 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** g 489 ASN ** g 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 115 ASN h 270 ASN h 371 GLN h 411 ASN h 489 ASN i 411 ASN i 489 ASN ** i 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 98 ASN j 127 GLN j 128 GLN j 411 ASN j 489 ASN k 175 GLN k 190 ASN ** k 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 411 ASN k 463 HIS k 489 ASN l 128 GLN ** l 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 270 ASN ** l 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 383 HIS l 489 ASN ** l 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 175 GLN m 190 ASN m 270 ASN m 330 HIS ** m 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 489 ASN n 128 GLN ** n 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 270 ASN ** n 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 489 ASN ** n 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 113 HIS o 168 ASN o 190 ASN o 270 ASN o 330 HIS o 371 GLN o 489 ASN o 537 ASN p 115 ASN p 175 GLN ** p 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 371 GLN ** p 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 489 ASN q 65 HIS ** q 115 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 175 GLN ** q 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 357 GLN ** q 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** q 489 ASN q 537 ASN r 65 HIS r 128 GLN r 175 GLN r 411 ASN r 489 ASN r 537 ASN ** r 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 113 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** s 128 GLN s 168 ASN s 175 GLN ** s 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 357 GLN s 411 ASN s 489 ASN s 537 ASN ** s 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 127 GLN t 128 GLN t 228 ASN t 241 ASN t 411 ASN t 489 ASN ** t 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 411 ASN u 489 ASN ** u 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 127 GLN v 128 GLN v 411 ASN v 489 ASN w 113 HIS w 175 GLN w 252 ASN ** w 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 371 GLN w 397 ASN w 411 ASN w 463 HIS w 489 ASN x 175 GLN x 190 ASN x 270 ASN ** x 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 489 ASN ** y 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 270 ASN ** y 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 489 ASN ** y 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 113 HIS z 175 GLN z 190 ASN z 270 ASN z 330 HIS z 371 GLN ** z 413 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** z 489 ASN 6 115 ASN 6 175 GLN ** 6 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 353 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 489 ASN ** 7 65 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 7 128 GLN 7 168 ASN 7 175 GLN ** 7 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 411 ASN 7 489 ASN 7 537 ASN Total number of N/Q/H flips: 304 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6739 moved from start: 0.5021 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values. Bond : 0.008 0.109 268320 Angle : 0.932 14.220 366840 Chirality : 0.053 0.286 37140 Planarity : 0.006 0.079 48240 Dihedral : 7.101 39.833 34740 Min Nonbonded Distance : 1.977 Molprobity Statistics. All-atom Clashscore : 25.83 Ramachandran Plot: Outliers : 0.19 % Allowed : 9.75 % Favored : 90.06 % Rotamer Outliers : 0.19 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 8.57 % Cis-general : 3.79 % Twisted Proline : 0.00 % Twisted General : 0.22 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.86 (0.04), residues: 31980 helix: -3.42 (0.11), residues: 1080 sheet: -1.06 (0.06), residues: 6480 loop : -2.25 (0.03), residues: 24420 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 63960 Ramachandran restraints generated. 31980 Oldfield and 0 Emsley and 31980 emsley8k. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 63960 Ramachandran restraints generated. 31980 Oldfield and 0 Emsley and 31980 emsley8k. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 9262 residues out of total 27840 (non-ALA, GLY, PRO) need a fit. rotamer outliers: 52 poor density : 9210 time to evaluate : 24.984 Fit side-chains outliers start: 52 outliers final: 18 residues processed: 9240 average time/residue: 2.8046 time to fit residues: 25954.4006 Evaluate side-chains 7885 residues out of total 27840 (non-ALA, GLY, PRO) need a fit. rotamer outliers: 18 poor density : 7867 time to evaluate : 30.211 Switching outliers to nearest non-outliers outliers start: 18 outliers final: 0 residues processed: 18 average time/residue: 2.4313 time to fit residues: 80.0729 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3180 random chunks: chunk 1896 optimal weight: 3.9990 chunk 1223 optimal weight: 1.9990 chunk 1830 optimal weight: 0.9980 chunk 923 optimal weight: 5.9990 chunk 602 optimal weight: 6.9990 chunk 593 optimal weight: 0.9980 chunk 1948 optimal weight: 9.9990 chunk 2088 optimal weight: 0.5980 chunk 1515 optimal weight: 0.9990 chunk 285 optimal weight: 0.9990 chunk 2409 optimal weight: 5.9990 overall best weight: 0.9184 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 127 GLN ** A 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 357 GLN ** A 371 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 489 ASN ** A 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 544 ASN B 190 ASN B 350 ASN B 489 ASN B 541 HIS C 113 HIS C 190 ASN C 270 ASN ** C 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 413 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 426 HIS C 445 HIS C 489 ASN D 115 ASN D 175 GLN ** D 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 270 ASN D 371 GLN D 411 ASN D 420 HIS ** E 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 241 ASN E 312 GLN E 404 GLN ** E 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 489 ASN F 190 ASN ** F 350 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 489 ASN G 128 GLN ** G 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 489 ASN ** G 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 190 ASN ** H 350 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 489 ASN ** I 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 128 GLN ** I 168 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 241 ASN ** I 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 489 ASN I 544 ASN J 228 ASN ** J 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 312 GLN J 426 HIS ** J 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 489 ASN K 175 GLN ** K 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 270 ASN K 371 GLN K 398 ASN ** K 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 470 HIS K 537 ASN ** K 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 190 ASN ** L 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 270 ASN L 411 ASN L 489 ASN M 113 HIS M 228 ASN M 241 ASN M 312 GLN ** M 371 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 470 HIS M 489 ASN ** N 175 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 339 GLN N 398 ASN O 228 ASN ** O 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 397 ASN ** O 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 489 ASN O 541 HIS P 115 ASN P 175 GLN ** P 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 270 ASN P 383 HIS P 398 ASN Q 113 HIS Q 128 GLN Q 190 ASN ** Q 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 411 ASN Q 445 HIS Q 489 ASN R 113 HIS R 190 ASN ** R 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 270 ASN R 411 ASN R 420 HIS R 426 HIS R 489 ASN ** R 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 190 ASN S 228 ASN ** S 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 489 ASN S 541 HIS T 168 ASN T 228 ASN ** T 371 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 489 ASN ** T 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 228 ASN U 312 GLN ** U 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** U 489 ASN V 175 GLN ** V 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 383 HIS ** V 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** W 228 ASN ** W 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 489 ASN X 175 GLN X 190 ASN ** X 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 357 GLN ** X 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 113 HIS Y 190 ASN ** Y 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 270 ASN ** Y 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 411 ASN Y 489 ASN Z 113 HIS Z 190 ASN Z 222 ASN Z 223 GLN Z 270 ASN ** Z 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Z 489 ASN ** Z 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 113 HIS 0 128 GLN ** 0 175 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 270 ASN 0 411 ASN 0 445 HIS ** 0 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 190 ASN 1 397 ASN ** 1 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 413 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 1 489 ASN 1 537 ASN 2 168 ASN 2 228 ASN 2 489 ASN ** 2 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 147 ASN 3 241 ASN ** 3 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 489 ASN ** 3 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 544 ASN 4 113 HIS 4 128 GLN 4 175 GLN ** 4 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 398 ASN 4 411 ASN 4 445 HIS ** 4 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 113 HIS 5 175 GLN 5 228 ASN 5 312 GLN ** 5 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 5 489 ASN a 115 ASN a 190 ASN a 270 ASN a 350 ASN a 411 ASN a 445 HIS a 489 ASN a 537 ASN ** b 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 270 ASN ** b 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 411 ASN b 489 ASN c 190 ASN c 222 ASN ** c 350 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 413 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** c 489 ASN d 113 HIS d 228 ASN d 312 GLN ** d 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** d 489 ASN e 113 HIS e 190 ASN ** e 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 270 ASN ** e 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 411 ASN e 426 HIS e 489 ASN f 168 ASN f 241 ASN ** f 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 489 ASN ** f 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** g 113 HIS g 190 ASN ** g 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 445 HIS g 489 ASN ** g 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 190 ASN h 411 ASN ** h 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** h 489 ASN i 128 GLN i 168 ASN i 241 ASN i 489 ASN ** i 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 544 ASN ** j 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 168 ASN j 241 ASN j 489 ASN j 544 ASN ** k 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 312 GLN k 404 GLN k 445 HIS k 470 HIS k 489 ASN k 541 HIS l 113 HIS l 190 ASN ** l 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 270 ASN ** l 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 398 ASN l 489 ASN ** l 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 113 HIS m 115 ASN m 190 ASN ** m 350 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 489 ASN m 537 ASN n 190 ASN n 222 ASN n 223 GLN n 270 ASN n 426 HIS n 489 ASN ** n 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 190 ASN ** o 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 489 ASN p 175 GLN p 312 GLN p 397 ASN p 489 ASN p 541 HIS q 115 ASN q 175 GLN ** q 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 270 ASN q 371 GLN q 383 HIS q 398 ASN ** q 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 175 GLN ** r 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 371 GLN r 398 ASN r 411 ASN r 445 HIS ** r 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 115 ASN ** s 175 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 270 ASN ** s 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 371 GLN s 383 HIS ** s 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 168 ASN t 222 ASN t 228 ASN t 489 ASN ** t 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 128 GLN u 147 ASN u 241 ASN ** u 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 489 ASN ** u 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 544 ASN ** v 127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 168 ASN v 241 ASN ** v 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 489 ASN v 544 ASN w 190 ASN w 241 ASN w 312 GLN ** w 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 371 GLN w 489 ASN x 190 ASN ** x 350 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 411 ASN ** x 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** x 489 ASN x 537 ASN y 113 HIS y 190 ASN y 270 ASN ** y 341 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 413 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** y 426 HIS y 489 ASN ** y 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 190 ASN ** z 350 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 413 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** z 489 ASN z 537 ASN 6 312 GLN ** 6 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 382 ASN ** 6 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 489 ASN 7 115 ASN 7 175 GLN ** 7 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 270 ASN ** 7 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 357 GLN 7 371 GLN 7 383 HIS 7 398 ASN ** 7 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 445 HIS 7 537 ASN Total number of N/Q/H flips: 262 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6629 moved from start: 0.5796 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values. Bond : 0.003 0.047 268320 Angle : 0.806 12.743 366840 Chirality : 0.047 0.245 37140 Planarity : 0.006 0.078 48240 Dihedral : 6.102 37.828 34740 Min Nonbonded Distance : 2.049 Molprobity Statistics. All-atom Clashscore : 20.82 Ramachandran Plot: Outliers : 0.13 % Allowed : 6.56 % Favored : 93.31 % Rotamer Outliers : 0.20 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 8.57 % Cis-general : 3.81 % Twisted Proline : 0.00 % Twisted General : 0.20 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.68 (0.04), residues: 31980 helix: -3.16 (0.11), residues: 1020 sheet: -0.73 (0.06), residues: 6120 loop : -2.19 (0.03), residues: 24840 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 63960 Ramachandran restraints generated. 31980 Oldfield and 0 Emsley and 31980 emsley8k. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 63960 Ramachandran restraints generated. 31980 Oldfield and 0 Emsley and 31980 emsley8k. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 9827 residues out of total 27840 (non-ALA, GLY, PRO) need a fit. rotamer outliers: 57 poor density : 9770 time to evaluate : 31.283 Fit side-chains outliers start: 57 outliers final: 8 residues processed: 9802 average time/residue: 2.8354 time to fit residues: 27837.7212 Evaluate side-chains 7988 residues out of total 27840 (non-ALA, GLY, PRO) need a fit. rotamer outliers: 8 poor density : 7980 time to evaluate : 29.574 Switching outliers to nearest non-outliers outliers start: 8 outliers final: 0 residues processed: 8 average time/residue: 2.4755 time to fit residues: 60.4436 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3180 random chunks: chunk 2788 optimal weight: 0.9980 chunk 2936 optimal weight: 1.9990 chunk 2679 optimal weight: 9.9990 chunk 2856 optimal weight: 1.9990 chunk 2935 optimal weight: 7.9990 chunk 1719 optimal weight: 8.9990 chunk 1244 optimal weight: 5.9990 chunk 2242 optimal weight: 7.9990 chunk 876 optimal weight: 4.9990 chunk 2580 optimal weight: 4.9990 chunk 2701 optimal weight: 9.9990 overall best weight: 2.9988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 128 GLN A 147 ASN A 241 ASN A 312 GLN ** A 371 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 411 ASN A 489 ASN ** A 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 115 ASN B 175 GLN ** B 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 396 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 489 ASN C 228 ASN ** C 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 489 ASN ** C 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 65 HIS D 175 GLN ** D 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 270 ASN D 537 ASN E 98 ASN E 168 ASN E 241 ASN E 489 ASN F 175 GLN ** F 350 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 489 ASN G 128 GLN G 241 ASN G 312 GLN G 357 GLN ** G 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 489 ASN ** G 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 175 GLN H 190 ASN ** H 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 489 ASN H 537 ASN ** I 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 128 GLN I 241 ASN I 357 GLN I 411 ASN I 489 ASN I 541 HIS J 168 ASN ** J 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 396 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 489 ASN K 65 HIS K 115 ASN K 128 GLN K 175 GLN K 270 ASN ** K 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 411 ASN K 537 ASN L 128 GLN L 168 ASN L 175 GLN ** L 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 270 ASN L 489 ASN M 168 ASN M 182 ASN ** M 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** M 489 ASN N 65 HIS N 168 ASN ** N 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 445 HIS N 537 ASN O 168 ASN O 228 ASN O 312 GLN O 397 ASN ** O 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 445 HIS O 489 ASN P 65 HIS ** P 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 270 ASN P 339 GLN ** P 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 537 ASN Q 128 GLN Q 168 ASN Q 228 ASN Q 241 ASN ** Q 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 411 ASN Q 489 ASN R 168 ASN ** R 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 489 ASN ** R 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 175 GLN S 270 ASN ** S 371 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 396 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 489 ASN T 128 GLN T 147 ASN T 228 ASN T 241 ASN ** T 371 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 489 ASN ** T 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 113 HIS U 190 ASN U 241 ASN ** U 353 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 489 ASN U 541 HIS V 65 HIS V 115 ASN V 175 GLN V 190 ASN ** V 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 411 ASN V 537 ASN W 168 ASN W 241 ASN ** W 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 396 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 411 ASN W 489 ASN X 65 HIS X 175 GLN ** X 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 537 ASN Y 175 GLN ** Y 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 270 ASN Y 463 HIS Y 489 ASN Z 222 ASN Z 223 GLN Z 270 ASN ** Z 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Z 489 ASN ** Z 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 65 HIS ** 0 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 270 ASN 0 312 GLN ** 0 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 411 ASN 0 537 ASN ** 0 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 175 GLN 1 411 ASN 1 489 ASN 2 128 GLN 2 228 ASN 2 357 GLN 2 489 ASN ** 2 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 2 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 489 ASN ** 3 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 65 HIS 4 128 GLN 4 357 GLN ** 4 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 537 ASN ** 4 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 168 ASN 5 182 ASN 5 228 ASN 5 422 GLN 5 445 HIS 5 489 ASN a 115 ASN a 175 GLN a 190 ASN a 222 ASN ** a 396 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 411 ASN a 489 ASN b 128 GLN b 175 GLN ** b 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 270 ASN ** b 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 489 ASN c 115 ASN c 175 GLN c 190 ASN c 281 GLN c 357 GLN ** c 396 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 411 ASN c 489 ASN c 537 ASN d 168 ASN d 182 ASN d 190 ASN d 228 ASN d 241 ASN ** d 341 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 396 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 397 ASN d 445 HIS d 489 ASN ** e 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 489 ASN f 128 GLN ** f 147 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 241 ASN ** f 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 411 ASN f 489 ASN g 128 GLN g 175 GLN g 228 ASN ** g 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 383 HIS ** g 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 489 ASN ** g 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 168 ASN h 175 GLN h 190 ASN ** h 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 411 ASN ** h 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** h 489 ASN i 128 GLN i 241 ASN i 357 GLN ** i 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 489 ASN ** i 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** i 541 HIS ** j 127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 128 GLN j 241 ASN j 312 GLN ** j 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 489 ASN j 541 HIS k 168 ASN ** k 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 396 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 411 ASN k 470 HIS k 489 ASN ** l 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 489 ASN ** l 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 115 ASN m 175 GLN ** m 396 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 411 ASN m 489 ASN n 222 ASN n 383 HIS n 489 ASN ** n 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 175 GLN o 281 GLN o 357 GLN ** o 396 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 489 ASN o 537 ASN p 168 ASN ** p 353 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 396 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 397 ASN ** p 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 489 ASN q 65 HIS ** q 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 270 ASN q 411 ASN q 537 ASN ** q 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 65 HIS r 113 HIS r 168 ASN r 190 ASN r 357 GLN ** r 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 411 ASN r 537 ASN ** r 541 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 128 GLN s 168 ASN ** s 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 270 ASN ** s 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 445 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** s 537 ASN ** s 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 128 GLN t 190 ASN t 228 ASN t 241 ASN t 489 ASN ** t 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 128 GLN u 241 ASN u 357 GLN ** u 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 418 ASN u 489 ASN ** u 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 541 HIS ** v 127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 128 GLN v 190 ASN v 241 ASN ** v 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 411 ASN v 489 ASN v 541 HIS w 168 ASN w 241 ASN w 397 ASN w 411 ASN w 489 ASN ** x 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 350 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 411 ASN x 489 ASN x 532 ASN y 175 GLN ** y 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 489 ASN ** y 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 175 GLN z 281 GLN ** z 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 371 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 396 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 489 ASN 6 128 GLN 6 168 ASN 6 238 GLN 6 241 ASN ** 6 396 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 489 ASN 6 541 HIS 7 65 HIS 7 128 GLN 7 168 ASN 7 190 ASN ** 7 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 270 ASN ** 7 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 411 ASN Total number of N/Q/H flips: 260 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6683 moved from start: 0.5636 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values. Bond : 0.005 0.080 268320 Angle : 0.851 13.130 366840 Chirality : 0.049 0.308 37140 Planarity : 0.006 0.125 48240 Dihedral : 6.306 36.861 34740 Min Nonbonded Distance : 2.053 Molprobity Statistics. All-atom Clashscore : 22.86 Ramachandran Plot: Outliers : 0.15 % Allowed : 9.12 % Favored : 90.73 % Rotamer Outliers : 0.16 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 8.57 % Cis-general : 3.80 % Twisted Proline : 0.00 % Twisted General : 0.21 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.71 (0.04), residues: 31980 helix: -3.18 (0.11), residues: 1080 sheet: -0.76 (0.06), residues: 6120 loop : -2.20 (0.03), residues: 24780 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 63960 Ramachandran restraints generated. 31980 Oldfield and 0 Emsley and 31980 emsley8k. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 63960 Ramachandran restraints generated. 31980 Oldfield and 0 Emsley and 31980 emsley8k. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 9595 residues out of total 27840 (non-ALA, GLY, PRO) need a fit. rotamer outliers: 45 poor density : 9550 time to evaluate : 28.324 Fit side-chains outliers start: 45 outliers final: 13 residues processed: 9576 average time/residue: 3.0787 time to fit residues: 29530.0356 Evaluate side-chains 7967 residues out of total 27840 (non-ALA, GLY, PRO) need a fit. rotamer outliers: 13 poor density : 7954 time to evaluate : 29.211 Switching outliers to nearest non-outliers outliers start: 13 outliers final: 0 residues processed: 13 average time/residue: 2.6209 time to fit residues: 73.4252 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3180 random chunks: chunk 2846 optimal weight: 9.9990 chunk 1875 optimal weight: 10.0000 chunk 3020 optimal weight: 4.9990 chunk 1843 optimal weight: 0.6980 chunk 1432 optimal weight: 10.0000 chunk 2099 optimal weight: 6.9990 chunk 3168 optimal weight: 0.9990 chunk 2915 optimal weight: 10.0000 chunk 2522 optimal weight: 1.9990 chunk 261 optimal weight: 0.5980 chunk 1948 optimal weight: 7.9990 overall best weight: 1.8586 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 128 GLN A 168 ASN ** A 222 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 238 GLN ** A 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 489 ASN ** A 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 541 HIS B 168 ASN B 281 GLN ** B 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 411 ASN B 489 ASN C 168 ASN C 175 GLN ** C 228 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 411 ASN C 489 ASN D 128 GLN D 168 ASN D 175 GLN ** D 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 270 ASN ** D 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** E 168 ASN E 182 ASN E 190 ASN E 228 ASN E 283 GLN E 411 ASN E 489 ASN F 168 ASN F 182 ASN ** F 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 350 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 489 ASN G 168 ASN G 357 GLN ** G 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 489 ASN ** G 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 168 ASN H 228 ASN ** H 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 489 ASN I 98 ASN I 115 ASN I 128 GLN I 168 ASN ** I 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 489 ASN J 168 ASN J 182 ASN J 190 ASN J 228 ASN J 238 GLN ** J 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 396 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 489 ASN K 128 GLN K 168 ASN K 175 GLN ** K 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 270 ASN ** K 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 168 ASN ** L 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 270 ASN ** L 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 426 HIS L 489 ASN M 168 ASN M 182 ASN M 489 ASN N 128 GLN N 168 ASN N 175 GLN ** N 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 445 HIS O 168 ASN O 175 GLN O 182 ASN O 228 ASN ** O 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 357 GLN ** O 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 489 ASN ** P 115 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 168 ASN ** P 175 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 270 ASN ** P 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 411 ASN P 445 HIS Q 128 GLN ** Q 228 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 270 ASN ** Q 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Q 489 ASN R 168 ASN R 175 GLN ** R 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** R 489 ASN ** R 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 175 GLN S 182 ASN S 281 GLN S 357 GLN S 411 ASN S 445 HIS S 489 ASN T 128 GLN T 168 ASN T 228 ASN ** T 371 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 489 ASN ** T 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 168 ASN U 182 ASN U 190 ASN U 238 GLN ** U 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 470 HIS U 489 ASN V 113 HIS V 128 GLN V 168 ASN V 175 GLN ** V 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 168 ASN W 182 ASN W 190 ASN ** W 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 396 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 489 ASN X 168 ASN X 175 GLN X 190 ASN ** X 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** X 312 GLN ** X 371 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 168 ASN Y 175 GLN Y 270 ASN ** Y 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Y 489 ASN Z 270 ASN ** Z 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Z 445 HIS Z 489 ASN ** Z 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 128 GLN 0 168 ASN 0 175 GLN ** 0 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 537 ASN ** 0 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 168 ASN 1 411 ASN 1 445 HIS 1 489 ASN 1 537 ASN 2 128 GLN ** 2 228 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 241 ASN ** 2 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 489 ASN 2 527 GLN 2 529 ASN ** 3 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 168 ASN 3 241 ASN 3 357 GLN ** 3 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 489 ASN ** 3 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 541 HIS 4 168 ASN 4 175 GLN ** 4 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 168 ASN 5 175 GLN 5 182 ASN 5 228 ASN 5 357 GLN ** 5 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 489 ASN a 115 ASN a 168 ASN a 182 ASN a 222 ASN a 270 ASN a 489 ASN a 537 ASN b 128 GLN b 175 GLN b 190 ASN ** b 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 270 ASN ** b 341 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 420 HIS b 489 ASN c 115 ASN c 175 GLN c 281 GLN c 411 ASN c 489 ASN d 168 ASN d 175 GLN d 182 ASN d 190 ASN d 228 ASN ** d 283 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 353 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 396 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 397 ASN ** d 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 489 ASN ** e 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** e 489 ASN f 115 ASN f 128 GLN f 190 ASN f 241 ASN f 283 GLN f 489 ASN g 128 GLN g 168 ASN g 175 GLN ** g 228 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 398 ASN ** g 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 489 ASN ** g 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 168 ASN h 190 ASN ** h 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** h 489 ASN i 128 GLN i 168 ASN i 489 ASN ** i 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 168 ASN j 357 GLN j 489 ASN k 168 ASN k 182 ASN k 223 GLN ** k 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 283 GLN k 489 ASN l 168 ASN l 175 GLN ** l 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 420 HIS l 489 ASN ** l 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 115 ASN m 175 GLN m 312 GLN m 411 ASN m 445 HIS m 489 ASN m 537 ASN ** n 113 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** n 228 ASN ** n 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 270 ASN ** n 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** n 489 ASN ** n 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 168 ASN o 238 GLN o 281 GLN o 371 GLN o 445 HIS o 489 ASN p 168 ASN p 175 GLN p 190 ASN p 238 GLN ** p 353 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 396 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 397 ASN p 489 ASN q 168 ASN q 175 GLN ** q 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 270 ASN q 411 ASN q 445 HIS q 489 ASN ** q 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 128 GLN r 168 ASN r 190 ASN ** r 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 537 ASN ** r 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 128 GLN s 168 ASN ** s 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 445 HIS ** s 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 115 ASN t 127 GLN ** t 147 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 190 ASN t 228 ASN t 371 GLN ** t 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 489 ASN ** t 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 128 GLN u 357 GLN ** u 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 489 ASN u 527 GLN u 529 ASN v 115 ASN v 128 GLN v 168 ASN ** v 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 489 ASN w 168 ASN w 397 ASN ** w 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 445 HIS w 489 ASN ** x 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 350 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** x 489 ASN ** y 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 470 HIS y 489 ASN ** y 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 113 HIS z 175 GLN z 281 GLN z 357 GLN z 445 HIS z 489 ASN 6 113 HIS 6 168 ASN 6 182 ASN 6 190 ASN ** 6 396 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 489 ASN 7 128 GLN 7 168 ASN 7 190 ASN ** 7 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 270 ASN ** 7 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 7 537 ASN Total number of N/Q/H flips: 266 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6648 moved from start: 0.5958 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values. Bond : 0.004 0.092 268320 Angle : 0.837 12.857 366840 Chirality : 0.048 0.266 37140 Planarity : 0.006 0.115 48240 Dihedral : 6.086 38.514 34740 Min Nonbonded Distance : 2.097 Molprobity Statistics. All-atom Clashscore : 21.45 Ramachandran Plot: Outliers : 0.09 % Allowed : 7.88 % Favored : 92.03 % Rotamer Outliers : 0.12 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 8.57 % Cis-general : 3.81 % Twisted Proline : 0.00 % Twisted General : 0.20 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.63 (0.04), residues: 31980 helix: -1.69 (0.18), residues: 600 sheet: -0.87 (0.07), residues: 5220 loop : -2.14 (0.03), residues: 26160 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 63960 Ramachandran restraints generated. 31980 Oldfield and 0 Emsley and 31980 emsley8k. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 63960 Ramachandran restraints generated. 31980 Oldfield and 0 Emsley and 31980 emsley8k. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 9565 residues out of total 27840 (non-ALA, GLY, PRO) need a fit. rotamer outliers: 33 poor density : 9532 time to evaluate : 30.697 Fit side-chains outliers start: 33 outliers final: 8 residues processed: 9554 average time/residue: 3.1122 time to fit residues: 29784.2524 Evaluate side-chains 7948 residues out of total 27840 (non-ALA, GLY, PRO) need a fit. rotamer outliers: 8 poor density : 7940 time to evaluate : 27.808 Switching outliers to nearest non-outliers outliers start: 8 outliers final: 0 residues processed: 8 average time/residue: 2.6113 time to fit residues: 59.5499 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 3180 random chunks: chunk 1546 optimal weight: 0.8980 chunk 2003 optimal weight: 10.0000 chunk 2687 optimal weight: 9.9990 chunk 772 optimal weight: 6.9990 chunk 2326 optimal weight: 0.0050 chunk 372 optimal weight: 6.9990 chunk 701 optimal weight: 8.9990 chunk 2526 optimal weight: 20.0000 chunk 1057 optimal weight: 0.9990 chunk 2594 optimal weight: 10.0000 chunk 319 optimal weight: 6.9990 overall best weight: 3.1800 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 128 GLN ** A 222 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 241 ASN A 357 GLN ** A 371 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 489 ASN ** A 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 168 ASN B 175 GLN B 228 ASN B 281 GLN ** B 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 350 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 489 ASN C 168 ASN C 175 GLN C 190 ASN ** C 228 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 489 ASN ** C 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 128 GLN D 168 ASN D 175 GLN ** D 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 270 ASN D 411 ASN ** D 422 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 537 ASN E 168 ASN E 182 ASN E 190 ASN ** E 283 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 489 ASN F 175 GLN ** F 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 350 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** F 489 ASN G 168 ASN G 357 GLN ** G 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 489 ASN ** G 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 175 GLN ** H 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 489 ASN H 537 ASN I 128 GLN I 168 ASN I 182 ASN I 190 ASN I 238 GLN ** I 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 489 ASN J 190 ASN J 228 ASN ** J 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 353 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 411 ASN J 489 ASN J 541 HIS K 168 ASN K 175 GLN K 270 ASN K 339 GLN K 537 ASN L 128 GLN L 168 ASN L 190 ASN ** L 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 270 ASN ** L 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 463 HIS L 489 ASN M 175 GLN M 182 ASN ** M 238 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 470 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** M 489 ASN N 128 GLN N 168 ASN N 175 GLN ** N 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 411 ASN N 537 ASN O 175 GLN O 182 ASN O 228 ASN ** O 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 353 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** O 489 ASN P 168 ASN P 175 GLN ** P 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 270 ASN ** P 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 537 ASN Q 190 ASN ** Q 228 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 270 ASN ** Q 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Q 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Q 489 ASN R 168 ASN R 190 ASN R 223 GLN ** R 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** R 312 GLN R 383 HIS R 489 ASN ** R 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** S 115 ASN S 175 GLN S 281 GLN ** S 397 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** S 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** S 489 ASN T 128 GLN T 182 ASN T 190 ASN T 241 ASN T 357 GLN ** T 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** T 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** T 489 ASN ** T 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** U 182 ASN ** U 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** U 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** U 489 ASN V 168 ASN V 175 GLN ** V 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** V 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** V 312 GLN V 411 ASN V 537 ASN W 190 ASN ** W 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** W 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** W 489 ASN W 541 HIS X 175 GLN X 190 ASN ** X 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 371 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** X 537 ASN Y 190 ASN ** Y 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Y 270 ASN Y 489 ASN Z 270 ASN ** Z 330 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Z 489 ASN ** Z 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 128 GLN 0 168 ASN 0 175 GLN ** 0 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 0 489 ASN ** 0 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 175 GLN ** 1 238 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 1 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 1 489 ASN 2 128 GLN ** 2 228 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 241 ASN ** 2 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 2 489 ASN 2 529 ASN ** 3 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 168 ASN 3 182 ASN ** 3 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 3 489 ASN ** 3 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 3 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 128 GLN 4 168 ASN ** 4 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 4 541 HIS 5 175 GLN 5 182 ASN 5 228 ASN ** 5 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** 5 489 ASN a 115 ASN a 128 GLN a 175 GLN a 222 ASN a 411 ASN a 489 ASN b 128 GLN ** b 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 270 ASN b 339 GLN ** b 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 489 ASN c 115 ASN c 175 GLN c 445 HIS c 489 ASN c 537 ASN d 168 ASN d 175 GLN d 182 ASN d 228 ASN ** d 283 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 396 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 489 ASN ** e 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 489 ASN f 115 ASN f 128 GLN ** f 147 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 182 ASN ** f 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 283 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 357 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 489 ASN g 128 GLN g 168 ASN g 175 GLN ** g 228 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 328 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 489 ASN ** g 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 168 ASN h 175 GLN h 190 ASN ** h 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 411 ASN h 489 ASN i 128 GLN i 168 ASN i 182 ASN i 238 GLN ** i 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 489 ASN ** i 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 128 GLN j 228 ASN ** j 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 489 ASN k 182 ASN ** k 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 411 ASN k 489 ASN l 168 ASN l 190 ASN l 489 ASN ** l 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 175 GLN ** m 238 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 489 ASN n 190 ASN n 228 ASN ** n 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 270 ASN n 489 ASN ** n 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 175 GLN ** o 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 489 ASN o 537 ASN p 175 GLN p 190 ASN p 411 ASN p 489 ASN q 175 GLN ** q 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 270 ASN ** q 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 489 ASN q 537 ASN q 541 HIS r 168 ASN r 190 ASN ** r 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 168 ASN ** s 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** s 537 ASN ** s 543 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 128 GLN ** t 147 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 241 ASN ** t 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** t 489 ASN ** t 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 529 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 128 GLN ** u 312 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 357 GLN ** u 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 489 ASN u 529 ASN ** v 127 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 128 GLN v 168 ASN v 182 ASN ** v 190 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 238 GLN v 312 GLN ** v 339 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 489 ASN ** w 404 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 489 ASN x 175 GLN ** x 238 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 411 ASN x 489 ASN y 190 ASN ** y 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 489 ASN ** y 527 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 98 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 175 GLN z 489 ASN 6 128 GLN 6 168 ASN 6 182 ASN 6 190 ASN ** 6 396 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 6 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 6 489 ASN 7 128 GLN 7 190 ASN ** 7 243 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** 7 411 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** 7 537 ASN Total number of N/Q/H flips: 225 ------------------------------------------------------------------------------- Group ADP refinement ******************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3647 r_free = 0.3647 target = 0.141755 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 40)----------------| | r_work = 0.3305 r_free = 0.3305 target = 0.116282 restraints weight = 453880.722| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 32)----------------| | r_work = 0.3365 r_free = 0.3365 target = 0.120681 restraints weight = 235512.816| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 34)----------------| | r_work = 0.3404 r_free = 0.3404 target = 0.123634 restraints weight = 154075.790| |-----------------------------------------------------------------------------| GEOMETRY RESTRAINTS LIBRARY: GEOSTD + MONOMER LIBRARY + CDL V1.2 DEVIATIONS FROM IDEAL VALUES. BOND : 0.005 0.126 268320 ANGLE : 0.866 19.530 366840 CHIRALITY : 0.050 0.333 37140 PLANARITY : 0.006 0.117 48240 DIHEDRAL : 6.343 38.450 34740 MIN NONBONDED DISTANCE : 2.089 MOLPROBITY STATISTICS. ALL-ATOM CLASHSCORE : 22.92 RAMACHANDRAN PLOT: OUTLIERS : 0.11 % ALLOWED : 9.58 % FAVORED : 90.30 % ROTAMER OUTLIERS : 0.11 % CBETA DEVIATIONS : 0.00 % PEPTIDE PLANE: CIS-PROLINE : 8.57 % CIS-GENERAL : 3.80 % TWISTED PROLINE : 0.00 % TWISTED GENERAL : 0.21 % RAMA-Z (RAMACHANDRAN PLOT Z-SCORE): INTERPRETATION: BAD |RAMA-Z| > 3; SUSPICIOUS 2 < |RAMA-Z| < 3; GOOD |RAMA-Z| < 2. SCORES FOR WHOLE/HELIX/SHEET/LOOP ARE SCALED INDEPENDENTLY; THEREFORE, THE VALUES ARE NOT RELATED IN A SIMPLE MANNER. WHOLE: -2.68 (0.04), RESIDUES: 31980 HELIX: -2.07 (0.17), RESIDUES: 660 SHEET: -0.90 (0.06), RESIDUES: 6840 LOOP : -2.22 (0.03), RESIDUES: 24480 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8037 moved from start: 0.5820 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values. Bond : 0.005 0.126 268320 Angle : 0.866 19.530 366840 Chirality : 0.050 0.333 37140 Planarity : 0.006 0.117 48240 Dihedral : 6.343 38.450 34740 Min Nonbonded Distance : 2.089 Molprobity Statistics. All-atom Clashscore : 22.92 Ramachandran Plot: Outliers : 0.11 % Allowed : 9.58 % Favored : 90.30 % Rotamer Outliers : 0.11 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 8.57 % Cis-general : 3.80 % Twisted Proline : 0.00 % Twisted General : 0.21 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.68 (0.04), residues: 31980 helix: -2.07 (0.17), residues: 660 sheet: -0.90 (0.06), residues: 6840 loop : -2.22 (0.03), residues: 24480 =============================================================================== Job complete usr+sys time: 270670.05 seconds wall clock time: 4658 minutes 48.98 seconds (279528.98 seconds total)