Starting phenix.real_space_refine (version: 1.21rc1) on Mon May 15 12:11:12 2023 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8e01_27812/05_2023/8e01_27812.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8e01_27812/05_2023/8e01_27812.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=3.4 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8e01_27812/05_2023/8e01_27812.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8e01_27812/05_2023/8e01_27812.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8e01_27812/05_2023/8e01_27812.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/8e01_27812/05_2023/8e01_27812.pdb" } resolution = 3.4 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= 0.007 sd= 0.216 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 600 5.16 5 C 59280 2.51 5 N 14880 2.21 5 O 16320 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A ASP 68": "OD1" <-> "OD2" Residue "A PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B ASP 68": "OD1" <-> "OD2" Residue "B PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C ASP 68": "OD1" <-> "OD2" Residue "C PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 68": "OD1" <-> "OD2" Residue "D PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 68": "OD1" <-> "OD2" Residue "E PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ASP 68": "OD1" <-> "OD2" Residue "F PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G ASP 68": "OD1" <-> "OD2" Residue "G PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H ASP 68": "OD1" <-> "OD2" Residue "H PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I ASP 68": "OD1" <-> "OD2" Residue "I PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J ASP 68": "OD1" <-> "OD2" Residue "J PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K ASP 68": "OD1" <-> "OD2" Residue "K PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L ASP 68": "OD1" <-> "OD2" Residue "L PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M ASP 68": "OD1" <-> "OD2" Residue "M PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N ASP 68": "OD1" <-> "OD2" Residue "N PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O ASP 68": "OD1" <-> "OD2" Residue "O PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P ASP 68": "OD1" <-> "OD2" Residue "P PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Q ASP 68": "OD1" <-> "OD2" Residue "Q PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "R ASP 68": "OD1" <-> "OD2" Residue "R PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "S ASP 68": "OD1" <-> "OD2" Residue "S PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "T ASP 68": "OD1" <-> "OD2" Residue "T PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "U ASP 68": "OD1" <-> "OD2" Residue "U PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "V ASP 68": "OD1" <-> "OD2" Residue "V PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "W ASP 68": "OD1" <-> "OD2" Residue "W PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "X ASP 68": "OD1" <-> "OD2" Residue "X PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Y ASP 68": "OD1" <-> "OD2" Residue "Y PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "Z ASP 68": "OD1" <-> "OD2" Residue "Z PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "0 ASP 68": "OD1" <-> "OD2" Residue "0 PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "1 ASP 68": "OD1" <-> "OD2" Residue "1 PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "2 ASP 68": "OD1" <-> "OD2" Residue "2 PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "3 ASP 68": "OD1" <-> "OD2" Residue "3 PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "4 ASP 68": "OD1" <-> "OD2" Residue "4 PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "5 ASP 68": "OD1" <-> "OD2" Residue "5 PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "6 ASP 68": "OD1" <-> "OD2" Residue "6 PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "7 ASP 68": "OD1" <-> "OD2" Residue "7 PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "8 ASP 68": "OD1" <-> "OD2" Residue "8 PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "9 ASP 68": "OD1" <-> "OD2" Residue "9 PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "a ASP 68": "OD1" <-> "OD2" Residue "a PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b ASP 68": "OD1" <-> "OD2" Residue "b PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "c ASP 68": "OD1" <-> "OD2" Residue "c PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d ASP 68": "OD1" <-> "OD2" Residue "d PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e ASP 68": "OD1" <-> "OD2" Residue "e PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f ASP 68": "OD1" <-> "OD2" Residue "f PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g ASP 68": "OD1" <-> "OD2" Residue "g PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h ASP 68": "OD1" <-> "OD2" Residue "h PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i ASP 68": "OD1" <-> "OD2" Residue "i PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j ASP 68": "OD1" <-> "OD2" Residue "j PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k ASP 68": "OD1" <-> "OD2" Residue "k PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l ASP 68": "OD1" <-> "OD2" Residue "l PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m ASP 68": "OD1" <-> "OD2" Residue "m PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n ASP 68": "OD1" <-> "OD2" Residue "n PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o ASP 68": "OD1" <-> "OD2" Residue "o PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p ASP 68": "OD1" <-> "OD2" Residue "p PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q ASP 68": "OD1" <-> "OD2" Residue "q PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r ASP 68": "OD1" <-> "OD2" Residue "r PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s ASP 68": "OD1" <-> "OD2" Residue "s PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t ASP 68": "OD1" <-> "OD2" Residue "t PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u ASP 68": "OD1" <-> "OD2" Residue "u PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v ASP 68": "OD1" <-> "OD2" Residue "v PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w ASP 68": "OD1" <-> "OD2" Residue "w PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x ASP 68": "OD1" <-> "OD2" Residue "x PHE 118": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.22s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-1.21rc1-4953/modules/chem_data/mon_lib" Total number of atoms: 91080 Number of models: 1 Model: "" Number of chains: 60 Chain: "A" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "B" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "C" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "D" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "E" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "F" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "G" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "H" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "I" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "J" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "K" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "L" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "M" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "N" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "O" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "P" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "Q" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "R" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "S" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "T" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "U" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "V" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "W" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "X" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "Y" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "Z" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "0" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "1" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "2" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "3" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "4" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "5" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "6" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "7" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "8" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "9" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "a" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "b" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "c" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "d" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "e" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "f" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "g" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "h" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "i" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "j" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "k" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "l" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "m" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "n" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "o" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "p" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "q" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "r" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "s" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "t" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "u" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "v" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "w" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Chain: "x" Number of atoms: 1518 Number of conformers: 1 Conformer: "" Number of residues, atoms: 201, 1518 Classifications: {'peptide': 201} Link IDs: {'PCIS': 1, 'PTRANS': 9, 'TRANS': 190} Time building chain proxies: 34.12, per 1000 atoms: 0.37 Number of scatterers: 91080 At special positions: 0 Unit cell: (270.6, 270.6, 270.6, 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 600 16.00 O 16320 8.00 N 14880 7.00 C 59280 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=60, symmetry=0 Simple disulfide: pdb=" SG CYS A 184 " - pdb=" SG CYS A 222 " distance=2.03 Simple disulfide: pdb=" SG CYS B 184 " - pdb=" SG CYS B 222 " distance=2.03 Simple disulfide: pdb=" SG CYS C 184 " - pdb=" SG CYS C 222 " distance=2.03 Simple disulfide: pdb=" SG CYS D 184 " - pdb=" SG CYS D 222 " distance=2.03 Simple disulfide: pdb=" SG CYS E 184 " - pdb=" SG CYS E 222 " distance=2.03 Simple disulfide: pdb=" SG CYS F 184 " - pdb=" SG CYS F 222 " distance=2.03 Simple disulfide: pdb=" SG CYS G 184 " - pdb=" SG CYS G 222 " distance=2.03 Simple disulfide: pdb=" SG CYS H 184 " - pdb=" SG CYS H 222 " distance=2.03 Simple disulfide: pdb=" SG CYS I 184 " - pdb=" SG CYS I 222 " distance=2.03 Simple disulfide: pdb=" SG CYS J 184 " - pdb=" SG CYS J 222 " distance=2.03 Simple disulfide: pdb=" SG CYS K 184 " - pdb=" SG CYS K 222 " distance=2.03 Simple disulfide: pdb=" SG CYS L 184 " - pdb=" SG CYS L 222 " distance=2.03 Simple disulfide: pdb=" SG CYS M 184 " - pdb=" SG CYS M 222 " distance=2.03 Simple disulfide: pdb=" SG CYS N 184 " - pdb=" SG CYS N 222 " distance=2.03 Simple disulfide: pdb=" SG CYS O 184 " - pdb=" SG CYS O 222 " distance=2.03 Simple disulfide: pdb=" SG CYS P 184 " - pdb=" SG CYS P 222 " distance=2.03 Simple disulfide: pdb=" SG CYS Q 184 " - pdb=" SG CYS Q 222 " distance=2.03 Simple disulfide: pdb=" SG CYS R 184 " - pdb=" SG CYS R 222 " distance=2.03 Simple disulfide: pdb=" SG CYS S 184 " - pdb=" SG CYS S 222 " distance=2.03 Simple disulfide: pdb=" SG CYS T 184 " - pdb=" SG CYS T 222 " distance=2.03 Simple disulfide: pdb=" SG CYS U 184 " - pdb=" SG CYS U 222 " distance=2.03 Simple disulfide: pdb=" SG CYS V 184 " - pdb=" SG CYS V 222 " distance=2.03 Simple disulfide: pdb=" SG CYS W 184 " - pdb=" SG CYS W 222 " distance=2.03 Simple disulfide: pdb=" SG CYS X 184 " - pdb=" SG CYS X 222 " distance=2.03 Simple disulfide: pdb=" SG CYS Y 184 " - pdb=" SG CYS Y 222 " distance=2.03 Simple disulfide: pdb=" SG CYS Z 184 " - pdb=" SG CYS Z 222 " distance=2.03 Simple disulfide: pdb=" SG CYS 0 184 " - pdb=" SG CYS 0 222 " distance=2.03 Simple disulfide: pdb=" SG CYS 1 184 " - pdb=" SG CYS 1 222 " distance=2.03 Simple disulfide: pdb=" SG CYS 2 184 " - pdb=" SG CYS 2 222 " distance=2.03 Simple disulfide: pdb=" SG CYS 3 184 " - pdb=" SG CYS 3 222 " distance=2.03 Simple disulfide: pdb=" SG CYS 4 184 " - pdb=" SG CYS 4 222 " distance=2.03 Simple disulfide: pdb=" SG CYS 5 184 " - pdb=" SG CYS 5 222 " distance=2.03 Simple disulfide: pdb=" SG CYS 6 184 " - pdb=" SG CYS 6 222 " distance=2.03 Simple disulfide: pdb=" SG CYS 7 184 " - pdb=" SG CYS 7 222 " distance=2.03 Simple disulfide: pdb=" SG CYS 8 184 " - pdb=" SG CYS 8 222 " distance=2.03 Simple disulfide: pdb=" SG CYS 9 184 " - pdb=" SG CYS 9 222 " distance=2.03 Simple disulfide: pdb=" SG CYS a 184 " - pdb=" SG CYS a 222 " distance=2.03 Simple disulfide: pdb=" SG CYS b 184 " - pdb=" SG CYS b 222 " distance=2.03 Simple disulfide: pdb=" SG CYS c 184 " - pdb=" SG CYS c 222 " distance=2.03 Simple disulfide: pdb=" SG CYS d 184 " - pdb=" SG CYS d 222 " distance=2.03 Simple disulfide: pdb=" SG CYS e 184 " - pdb=" SG CYS e 222 " distance=2.03 Simple disulfide: pdb=" SG CYS f 184 " - pdb=" SG CYS f 222 " distance=2.03 Simple disulfide: pdb=" SG CYS g 184 " - pdb=" SG CYS g 222 " distance=2.03 Simple disulfide: pdb=" SG CYS h 184 " - pdb=" SG CYS h 222 " distance=2.03 Simple disulfide: pdb=" SG CYS i 184 " - pdb=" SG CYS i 222 " distance=2.03 Simple disulfide: pdb=" SG CYS j 184 " - pdb=" SG CYS j 222 " distance=2.03 Simple disulfide: pdb=" SG CYS k 184 " - pdb=" SG CYS k 222 " distance=2.03 Simple disulfide: pdb=" SG CYS l 184 " - pdb=" SG CYS l 222 " distance=2.03 Simple disulfide: pdb=" SG CYS m 184 " - pdb=" SG CYS m 222 " distance=2.03 Simple disulfide: pdb=" SG CYS n 184 " - pdb=" SG CYS n 222 " distance=2.03 Simple disulfide: pdb=" SG CYS o 184 " - pdb=" SG CYS o 222 " distance=2.03 Simple disulfide: pdb=" SG CYS p 184 " - pdb=" SG CYS p 222 " distance=2.03 Simple disulfide: pdb=" SG CYS q 184 " - pdb=" SG CYS q 222 " distance=2.03 Simple disulfide: pdb=" SG CYS r 184 " - pdb=" SG CYS r 222 " distance=2.03 Simple disulfide: pdb=" SG CYS s 184 " - pdb=" SG CYS s 222 " distance=2.03 Simple disulfide: pdb=" SG CYS t 184 " - pdb=" SG CYS t 222 " distance=2.03 Simple disulfide: pdb=" SG CYS u 184 " - pdb=" SG CYS u 222 " distance=2.03 Simple disulfide: pdb=" SG CYS v 184 " - pdb=" SG CYS v 222 " distance=2.03 Simple disulfide: pdb=" SG CYS w 184 " - pdb=" SG CYS w 222 " distance=2.03 Simple disulfide: pdb=" SG CYS x 184 " - pdb=" SG CYS x 222 " distance=2.03 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 26.86 Conformation dependent library (CDL) restraints added in 10.1 seconds 23880 Ramachandran restraints generated. 11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 21840 Finding SS restraints... Secondary structure from input PDB file: 600 helices and 180 sheets defined 53.7% alpha, 11.9% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 4.67 Creating SS restraints... Processing helix chain 'A' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS A 28 " --> pdb=" O GLU A 24 " (cutoff:3.500A) Processing helix chain 'A' and resid 39 through 53 Processing helix chain 'A' and resid 66 through 74 Processing helix chain 'A' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU A 79 " --> pdb=" O SER A 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET A 80 " --> pdb=" O PHE A 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'A' and resid 75 through 80' Processing helix chain 'A' and resid 91 through 101 Processing helix chain 'A' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE A 118 " --> pdb=" O GLU A 114 " (cutoff:3.500A) Processing helix chain 'A' and resid 132 through 143 Processing helix chain 'A' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS A 161 " --> pdb=" O PRO A 157 " (cutoff:3.500A) Processing helix chain 'A' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE A 187 " --> pdb=" O VAL A 183 " (cutoff:3.500A) Processing helix chain 'A' and resid 204 through 222 Processing helix chain 'B' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS B 28 " --> pdb=" O GLU B 24 " (cutoff:3.500A) Processing helix chain 'B' and resid 39 through 53 Processing helix chain 'B' and resid 66 through 74 Processing helix chain 'B' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU B 79 " --> pdb=" O SER B 75 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N MET B 80 " --> pdb=" O PHE B 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'B' and resid 75 through 80' Processing helix chain 'B' and resid 91 through 101 Processing helix chain 'B' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE B 118 " --> pdb=" O GLU B 114 " (cutoff:3.500A) Processing helix chain 'B' and resid 132 through 143 Processing helix chain 'B' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS B 161 " --> pdb=" O PRO B 157 " (cutoff:3.500A) Processing helix chain 'B' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE B 187 " --> pdb=" O VAL B 183 " (cutoff:3.500A) Processing helix chain 'B' and resid 204 through 222 Processing helix chain 'C' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS C 28 " --> pdb=" O GLU C 24 " (cutoff:3.500A) Processing helix chain 'C' and resid 39 through 53 Processing helix chain 'C' and resid 66 through 74 Processing helix chain 'C' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU C 79 " --> pdb=" O SER C 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET C 80 " --> pdb=" O PHE C 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'C' and resid 75 through 80' Processing helix chain 'C' and resid 91 through 101 Processing helix chain 'C' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE C 118 " --> pdb=" O GLU C 114 " (cutoff:3.500A) Processing helix chain 'C' and resid 132 through 143 Processing helix chain 'C' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS C 161 " --> pdb=" O PRO C 157 " (cutoff:3.500A) Processing helix chain 'C' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE C 187 " --> pdb=" O VAL C 183 " (cutoff:3.500A) Processing helix chain 'C' and resid 204 through 222 Processing helix chain 'D' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS D 28 " --> pdb=" O GLU D 24 " (cutoff:3.500A) Processing helix chain 'D' and resid 39 through 53 Processing helix chain 'D' and resid 66 through 74 Processing helix chain 'D' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU D 79 " --> pdb=" O SER D 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET D 80 " --> pdb=" O PHE D 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'D' and resid 75 through 80' Processing helix chain 'D' and resid 91 through 101 Processing helix chain 'D' and resid 112 through 123 removed outlier: 3.611A pdb=" N PHE D 118 " --> pdb=" O GLU D 114 " (cutoff:3.500A) Processing helix chain 'D' and resid 132 through 143 Processing helix chain 'D' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS D 161 " --> pdb=" O PRO D 157 " (cutoff:3.500A) Processing helix chain 'D' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE D 187 " --> pdb=" O VAL D 183 " (cutoff:3.500A) Processing helix chain 'D' and resid 204 through 222 Processing helix chain 'E' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS E 28 " --> pdb=" O GLU E 24 " (cutoff:3.500A) Processing helix chain 'E' and resid 39 through 53 Processing helix chain 'E' and resid 66 through 74 Processing helix chain 'E' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU E 79 " --> pdb=" O SER E 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET E 80 " --> pdb=" O PHE E 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'E' and resid 75 through 80' Processing helix chain 'E' and resid 91 through 101 Processing helix chain 'E' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE E 118 " --> pdb=" O GLU E 114 " (cutoff:3.500A) Processing helix chain 'E' and resid 132 through 143 Processing helix chain 'E' and resid 157 through 164 removed outlier: 3.708A pdb=" N LYS E 161 " --> pdb=" O PRO E 157 " (cutoff:3.500A) Processing helix chain 'E' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE E 187 " --> pdb=" O VAL E 183 " (cutoff:3.500A) Processing helix chain 'E' and resid 204 through 222 Processing helix chain 'F' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS F 28 " --> pdb=" O GLU F 24 " (cutoff:3.500A) Processing helix chain 'F' and resid 39 through 53 Processing helix chain 'F' and resid 66 through 74 Processing helix chain 'F' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU F 79 " --> pdb=" O SER F 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET F 80 " --> pdb=" O PHE F 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'F' and resid 75 through 80' Processing helix chain 'F' and resid 91 through 101 Processing helix chain 'F' and resid 112 through 123 removed outlier: 3.611A pdb=" N PHE F 118 " --> pdb=" O GLU F 114 " (cutoff:3.500A) Processing helix chain 'F' and resid 132 through 143 Processing helix chain 'F' and resid 157 through 164 removed outlier: 3.708A pdb=" N LYS F 161 " --> pdb=" O PRO F 157 " (cutoff:3.500A) Processing helix chain 'F' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE F 187 " --> pdb=" O VAL F 183 " (cutoff:3.500A) Processing helix chain 'F' and resid 204 through 222 Processing helix chain 'G' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS G 28 " --> pdb=" O GLU G 24 " (cutoff:3.500A) Processing helix chain 'G' and resid 39 through 53 Processing helix chain 'G' and resid 66 through 74 Processing helix chain 'G' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU G 79 " --> pdb=" O SER G 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET G 80 " --> pdb=" O PHE G 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'G' and resid 75 through 80' Processing helix chain 'G' and resid 91 through 101 Processing helix chain 'G' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE G 118 " --> pdb=" O GLU G 114 " (cutoff:3.500A) Processing helix chain 'G' and resid 132 through 143 Processing helix chain 'G' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS G 161 " --> pdb=" O PRO G 157 " (cutoff:3.500A) Processing helix chain 'G' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE G 187 " --> pdb=" O VAL G 183 " (cutoff:3.500A) Processing helix chain 'G' and resid 204 through 222 Processing helix chain 'H' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS H 28 " --> pdb=" O GLU H 24 " (cutoff:3.500A) Processing helix chain 'H' and resid 39 through 53 Processing helix chain 'H' and resid 66 through 74 Processing helix chain 'H' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU H 79 " --> pdb=" O SER H 75 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N MET H 80 " --> pdb=" O PHE H 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'H' and resid 75 through 80' Processing helix chain 'H' and resid 91 through 101 Processing helix chain 'H' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE H 118 " --> pdb=" O GLU H 114 " (cutoff:3.500A) Processing helix chain 'H' and resid 132 through 143 Processing helix chain 'H' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS H 161 " --> pdb=" O PRO H 157 " (cutoff:3.500A) Processing helix chain 'H' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE H 187 " --> pdb=" O VAL H 183 " (cutoff:3.500A) Processing helix chain 'H' and resid 204 through 222 Processing helix chain 'I' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS I 28 " --> pdb=" O GLU I 24 " (cutoff:3.500A) Processing helix chain 'I' and resid 39 through 53 Processing helix chain 'I' and resid 66 through 74 Processing helix chain 'I' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU I 79 " --> pdb=" O SER I 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET I 80 " --> pdb=" O PHE I 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'I' and resid 75 through 80' Processing helix chain 'I' and resid 91 through 101 Processing helix chain 'I' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE I 118 " --> pdb=" O GLU I 114 " (cutoff:3.500A) Processing helix chain 'I' and resid 132 through 143 Processing helix chain 'I' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS I 161 " --> pdb=" O PRO I 157 " (cutoff:3.500A) Processing helix chain 'I' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE I 187 " --> pdb=" O VAL I 183 " (cutoff:3.500A) Processing helix chain 'I' and resid 204 through 222 Processing helix chain 'J' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS J 28 " --> pdb=" O GLU J 24 " (cutoff:3.500A) Processing helix chain 'J' and resid 39 through 53 Processing helix chain 'J' and resid 66 through 74 Processing helix chain 'J' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU J 79 " --> pdb=" O SER J 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET J 80 " --> pdb=" O PHE J 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'J' and resid 75 through 80' Processing helix chain 'J' and resid 91 through 101 Processing helix chain 'J' and resid 112 through 123 removed outlier: 3.611A pdb=" N PHE J 118 " --> pdb=" O GLU J 114 " (cutoff:3.500A) Processing helix chain 'J' and resid 132 through 143 Processing helix chain 'J' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS J 161 " --> pdb=" O PRO J 157 " (cutoff:3.500A) Processing helix chain 'J' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE J 187 " --> pdb=" O VAL J 183 " (cutoff:3.500A) Processing helix chain 'J' and resid 204 through 222 Processing helix chain 'K' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS K 28 " --> pdb=" O GLU K 24 " (cutoff:3.500A) Processing helix chain 'K' and resid 39 through 53 Processing helix chain 'K' and resid 66 through 74 Processing helix chain 'K' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU K 79 " --> pdb=" O SER K 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET K 80 " --> pdb=" O PHE K 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'K' and resid 75 through 80' Processing helix chain 'K' and resid 91 through 101 Processing helix chain 'K' and resid 112 through 123 removed outlier: 3.611A pdb=" N PHE K 118 " --> pdb=" O GLU K 114 " (cutoff:3.500A) Processing helix chain 'K' and resid 132 through 143 Processing helix chain 'K' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS K 161 " --> pdb=" O PRO K 157 " (cutoff:3.500A) Processing helix chain 'K' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE K 187 " --> pdb=" O VAL K 183 " (cutoff:3.500A) Processing helix chain 'K' and resid 204 through 222 Processing helix chain 'L' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS L 28 " --> pdb=" O GLU L 24 " (cutoff:3.500A) Processing helix chain 'L' and resid 39 through 53 Processing helix chain 'L' and resid 66 through 74 Processing helix chain 'L' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU L 79 " --> pdb=" O SER L 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET L 80 " --> pdb=" O PHE L 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'L' and resid 75 through 80' Processing helix chain 'L' and resid 91 through 101 Processing helix chain 'L' and resid 112 through 123 removed outlier: 3.611A pdb=" N PHE L 118 " --> pdb=" O GLU L 114 " (cutoff:3.500A) Processing helix chain 'L' and resid 132 through 143 Processing helix chain 'L' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS L 161 " --> pdb=" O PRO L 157 " (cutoff:3.500A) Processing helix chain 'L' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE L 187 " --> pdb=" O VAL L 183 " (cutoff:3.500A) Processing helix chain 'L' and resid 204 through 222 Processing helix chain 'M' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS M 28 " --> pdb=" O GLU M 24 " (cutoff:3.500A) Processing helix chain 'M' and resid 39 through 53 Processing helix chain 'M' and resid 66 through 74 Processing helix chain 'M' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU M 79 " --> pdb=" O SER M 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET M 80 " --> pdb=" O PHE M 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'M' and resid 75 through 80' Processing helix chain 'M' and resid 91 through 101 Processing helix chain 'M' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE M 118 " --> pdb=" O GLU M 114 " (cutoff:3.500A) Processing helix chain 'M' and resid 132 through 143 Processing helix chain 'M' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS M 161 " --> pdb=" O PRO M 157 " (cutoff:3.500A) Processing helix chain 'M' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE M 187 " --> pdb=" O VAL M 183 " (cutoff:3.500A) Processing helix chain 'M' and resid 204 through 222 Processing helix chain 'N' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS N 28 " --> pdb=" O GLU N 24 " (cutoff:3.500A) Processing helix chain 'N' and resid 39 through 53 Processing helix chain 'N' and resid 66 through 74 Processing helix chain 'N' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU N 79 " --> pdb=" O SER N 75 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N MET N 80 " --> pdb=" O PHE N 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'N' and resid 75 through 80' Processing helix chain 'N' and resid 91 through 101 Processing helix chain 'N' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE N 118 " --> pdb=" O GLU N 114 " (cutoff:3.500A) Processing helix chain 'N' and resid 132 through 143 Processing helix chain 'N' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS N 161 " --> pdb=" O PRO N 157 " (cutoff:3.500A) Processing helix chain 'N' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE N 187 " --> pdb=" O VAL N 183 " (cutoff:3.500A) Processing helix chain 'N' and resid 204 through 222 Processing helix chain 'O' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS O 28 " --> pdb=" O GLU O 24 " (cutoff:3.500A) Processing helix chain 'O' and resid 39 through 53 Processing helix chain 'O' and resid 66 through 74 Processing helix chain 'O' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU O 79 " --> pdb=" O SER O 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET O 80 " --> pdb=" O PHE O 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'O' and resid 75 through 80' Processing helix chain 'O' and resid 91 through 101 Processing helix chain 'O' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE O 118 " --> pdb=" O GLU O 114 " (cutoff:3.500A) Processing helix chain 'O' and resid 132 through 143 Processing helix chain 'O' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS O 161 " --> pdb=" O PRO O 157 " (cutoff:3.500A) Processing helix chain 'O' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE O 187 " --> pdb=" O VAL O 183 " (cutoff:3.500A) Processing helix chain 'O' and resid 204 through 222 Processing helix chain 'P' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS P 28 " --> pdb=" O GLU P 24 " (cutoff:3.500A) Processing helix chain 'P' and resid 39 through 53 Processing helix chain 'P' and resid 66 through 74 Processing helix chain 'P' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU P 79 " --> pdb=" O SER P 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET P 80 " --> pdb=" O PHE P 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'P' and resid 75 through 80' Processing helix chain 'P' and resid 91 through 101 Processing helix chain 'P' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE P 118 " --> pdb=" O GLU P 114 " (cutoff:3.500A) Processing helix chain 'P' and resid 132 through 143 Processing helix chain 'P' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS P 161 " --> pdb=" O PRO P 157 " (cutoff:3.500A) Processing helix chain 'P' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE P 187 " --> pdb=" O VAL P 183 " (cutoff:3.500A) Processing helix chain 'P' and resid 204 through 222 Processing helix chain 'Q' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS Q 28 " --> pdb=" O GLU Q 24 " (cutoff:3.500A) Processing helix chain 'Q' and resid 39 through 53 Processing helix chain 'Q' and resid 66 through 74 Processing helix chain 'Q' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU Q 79 " --> pdb=" O SER Q 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET Q 80 " --> pdb=" O PHE Q 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'Q' and resid 75 through 80' Processing helix chain 'Q' and resid 91 through 101 Processing helix chain 'Q' and resid 112 through 123 removed outlier: 3.611A pdb=" N PHE Q 118 " --> pdb=" O GLU Q 114 " (cutoff:3.500A) Processing helix chain 'Q' and resid 132 through 143 Processing helix chain 'Q' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS Q 161 " --> pdb=" O PRO Q 157 " (cutoff:3.500A) Processing helix chain 'Q' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE Q 187 " --> pdb=" O VAL Q 183 " (cutoff:3.500A) Processing helix chain 'Q' and resid 204 through 222 Processing helix chain 'R' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS R 28 " --> pdb=" O GLU R 24 " (cutoff:3.500A) Processing helix chain 'R' and resid 39 through 53 Processing helix chain 'R' and resid 66 through 74 Processing helix chain 'R' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU R 79 " --> pdb=" O SER R 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET R 80 " --> pdb=" O PHE R 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'R' and resid 75 through 80' Processing helix chain 'R' and resid 91 through 101 Processing helix chain 'R' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE R 118 " --> pdb=" O GLU R 114 " (cutoff:3.500A) Processing helix chain 'R' and resid 132 through 143 Processing helix chain 'R' and resid 157 through 164 removed outlier: 3.708A pdb=" N LYS R 161 " --> pdb=" O PRO R 157 " (cutoff:3.500A) Processing helix chain 'R' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE R 187 " --> pdb=" O VAL R 183 " (cutoff:3.500A) Processing helix chain 'R' and resid 204 through 222 Processing helix chain 'S' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS S 28 " --> pdb=" O GLU S 24 " (cutoff:3.500A) Processing helix chain 'S' and resid 39 through 53 Processing helix chain 'S' and resid 66 through 74 Processing helix chain 'S' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU S 79 " --> pdb=" O SER S 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET S 80 " --> pdb=" O PHE S 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'S' and resid 75 through 80' Processing helix chain 'S' and resid 91 through 101 Processing helix chain 'S' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE S 118 " --> pdb=" O GLU S 114 " (cutoff:3.500A) Processing helix chain 'S' and resid 132 through 143 Processing helix chain 'S' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS S 161 " --> pdb=" O PRO S 157 " (cutoff:3.500A) Processing helix chain 'S' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE S 187 " --> pdb=" O VAL S 183 " (cutoff:3.500A) Processing helix chain 'S' and resid 204 through 222 Processing helix chain 'T' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS T 28 " --> pdb=" O GLU T 24 " (cutoff:3.500A) Processing helix chain 'T' and resid 39 through 53 Processing helix chain 'T' and resid 66 through 74 Processing helix chain 'T' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU T 79 " --> pdb=" O SER T 75 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N MET T 80 " --> pdb=" O PHE T 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'T' and resid 75 through 80' Processing helix chain 'T' and resid 91 through 101 Processing helix chain 'T' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE T 118 " --> pdb=" O GLU T 114 " (cutoff:3.500A) Processing helix chain 'T' and resid 132 through 143 Processing helix chain 'T' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS T 161 " --> pdb=" O PRO T 157 " (cutoff:3.500A) Processing helix chain 'T' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE T 187 " --> pdb=" O VAL T 183 " (cutoff:3.500A) Processing helix chain 'T' and resid 204 through 222 Processing helix chain 'U' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS U 28 " --> pdb=" O GLU U 24 " (cutoff:3.500A) Processing helix chain 'U' and resid 39 through 53 Processing helix chain 'U' and resid 66 through 74 Processing helix chain 'U' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU U 79 " --> pdb=" O SER U 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET U 80 " --> pdb=" O PHE U 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'U' and resid 75 through 80' Processing helix chain 'U' and resid 91 through 101 Processing helix chain 'U' and resid 112 through 123 removed outlier: 3.611A pdb=" N PHE U 118 " --> pdb=" O GLU U 114 " (cutoff:3.500A) Processing helix chain 'U' and resid 132 through 143 Processing helix chain 'U' and resid 157 through 164 removed outlier: 3.708A pdb=" N LYS U 161 " --> pdb=" O PRO U 157 " (cutoff:3.500A) Processing helix chain 'U' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE U 187 " --> pdb=" O VAL U 183 " (cutoff:3.500A) Processing helix chain 'U' and resid 204 through 222 Processing helix chain 'V' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS V 28 " --> pdb=" O GLU V 24 " (cutoff:3.500A) Processing helix chain 'V' and resid 39 through 53 Processing helix chain 'V' and resid 66 through 74 Processing helix chain 'V' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU V 79 " --> pdb=" O SER V 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET V 80 " --> pdb=" O PHE V 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'V' and resid 75 through 80' Processing helix chain 'V' and resid 91 through 101 Processing helix chain 'V' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE V 118 " --> pdb=" O GLU V 114 " (cutoff:3.500A) Processing helix chain 'V' and resid 132 through 143 Processing helix chain 'V' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS V 161 " --> pdb=" O PRO V 157 " (cutoff:3.500A) Processing helix chain 'V' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE V 187 " --> pdb=" O VAL V 183 " (cutoff:3.500A) Processing helix chain 'V' and resid 204 through 222 Processing helix chain 'W' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS W 28 " --> pdb=" O GLU W 24 " (cutoff:3.500A) Processing helix chain 'W' and resid 39 through 53 Processing helix chain 'W' and resid 66 through 74 Processing helix chain 'W' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU W 79 " --> pdb=" O SER W 75 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N MET W 80 " --> pdb=" O PHE W 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'W' and resid 75 through 80' Processing helix chain 'W' and resid 91 through 101 Processing helix chain 'W' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE W 118 " --> pdb=" O GLU W 114 " (cutoff:3.500A) Processing helix chain 'W' and resid 132 through 143 Processing helix chain 'W' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS W 161 " --> pdb=" O PRO W 157 " (cutoff:3.500A) Processing helix chain 'W' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE W 187 " --> pdb=" O VAL W 183 " (cutoff:3.500A) Processing helix chain 'W' and resid 204 through 222 Processing helix chain 'X' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS X 28 " --> pdb=" O GLU X 24 " (cutoff:3.500A) Processing helix chain 'X' and resid 39 through 53 Processing helix chain 'X' and resid 66 through 74 Processing helix chain 'X' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU X 79 " --> pdb=" O SER X 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET X 80 " --> pdb=" O PHE X 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'X' and resid 75 through 80' Processing helix chain 'X' and resid 91 through 101 Processing helix chain 'X' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE X 118 " --> pdb=" O GLU X 114 " (cutoff:3.500A) Processing helix chain 'X' and resid 132 through 143 Processing helix chain 'X' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS X 161 " --> pdb=" O PRO X 157 " (cutoff:3.500A) Processing helix chain 'X' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE X 187 " --> pdb=" O VAL X 183 " (cutoff:3.500A) Processing helix chain 'X' and resid 204 through 222 Processing helix chain 'Y' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS Y 28 " --> pdb=" O GLU Y 24 " (cutoff:3.500A) Processing helix chain 'Y' and resid 39 through 53 Processing helix chain 'Y' and resid 66 through 74 Processing helix chain 'Y' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU Y 79 " --> pdb=" O SER Y 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET Y 80 " --> pdb=" O PHE Y 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'Y' and resid 75 through 80' Processing helix chain 'Y' and resid 91 through 101 Processing helix chain 'Y' and resid 112 through 123 removed outlier: 3.611A pdb=" N PHE Y 118 " --> pdb=" O GLU Y 114 " (cutoff:3.500A) Processing helix chain 'Y' and resid 132 through 143 Processing helix chain 'Y' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS Y 161 " --> pdb=" O PRO Y 157 " (cutoff:3.500A) Processing helix chain 'Y' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE Y 187 " --> pdb=" O VAL Y 183 " (cutoff:3.500A) Processing helix chain 'Y' and resid 204 through 222 Processing helix chain 'Z' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS Z 28 " --> pdb=" O GLU Z 24 " (cutoff:3.500A) Processing helix chain 'Z' and resid 39 through 53 Processing helix chain 'Z' and resid 66 through 74 Processing helix chain 'Z' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU Z 79 " --> pdb=" O SER Z 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET Z 80 " --> pdb=" O PHE Z 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'Z' and resid 75 through 80' Processing helix chain 'Z' and resid 91 through 101 Processing helix chain 'Z' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE Z 118 " --> pdb=" O GLU Z 114 " (cutoff:3.500A) Processing helix chain 'Z' and resid 132 through 143 Processing helix chain 'Z' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS Z 161 " --> pdb=" O PRO Z 157 " (cutoff:3.500A) Processing helix chain 'Z' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE Z 187 " --> pdb=" O VAL Z 183 " (cutoff:3.500A) Processing helix chain 'Z' and resid 204 through 222 Processing helix chain '0' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS 0 28 " --> pdb=" O GLU 0 24 " (cutoff:3.500A) Processing helix chain '0' and resid 39 through 53 Processing helix chain '0' and resid 66 through 74 Processing helix chain '0' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU 0 79 " --> pdb=" O SER 0 75 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N MET 0 80 " --> pdb=" O PHE 0 76 " (cutoff:3.500A) No H-bonds generated for 'chain '0' and resid 75 through 80' Processing helix chain '0' and resid 91 through 101 Processing helix chain '0' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE 0 118 " --> pdb=" O GLU 0 114 " (cutoff:3.500A) Processing helix chain '0' and resid 132 through 143 Processing helix chain '0' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS 0 161 " --> pdb=" O PRO 0 157 " (cutoff:3.500A) Processing helix chain '0' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE 0 187 " --> pdb=" O VAL 0 183 " (cutoff:3.500A) Processing helix chain '0' and resid 204 through 222 Processing helix chain '1' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS 1 28 " --> pdb=" O GLU 1 24 " (cutoff:3.500A) Processing helix chain '1' and resid 39 through 53 Processing helix chain '1' and resid 66 through 74 Processing helix chain '1' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU 1 79 " --> pdb=" O SER 1 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET 1 80 " --> pdb=" O PHE 1 76 " (cutoff:3.500A) No H-bonds generated for 'chain '1' and resid 75 through 80' Processing helix chain '1' and resid 91 through 101 Processing helix chain '1' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE 1 118 " --> pdb=" O GLU 1 114 " (cutoff:3.500A) Processing helix chain '1' and resid 132 through 143 Processing helix chain '1' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS 1 161 " --> pdb=" O PRO 1 157 " (cutoff:3.500A) Processing helix chain '1' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE 1 187 " --> pdb=" O VAL 1 183 " (cutoff:3.500A) Processing helix chain '1' and resid 204 through 222 Processing helix chain '2' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS 2 28 " --> pdb=" O GLU 2 24 " (cutoff:3.500A) Processing helix chain '2' and resid 39 through 53 Processing helix chain '2' and resid 66 through 74 Processing helix chain '2' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU 2 79 " --> pdb=" O SER 2 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET 2 80 " --> pdb=" O PHE 2 76 " (cutoff:3.500A) No H-bonds generated for 'chain '2' and resid 75 through 80' Processing helix chain '2' and resid 91 through 101 Processing helix chain '2' and resid 112 through 123 removed outlier: 3.611A pdb=" N PHE 2 118 " --> pdb=" O GLU 2 114 " (cutoff:3.500A) Processing helix chain '2' and resid 132 through 143 Processing helix chain '2' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS 2 161 " --> pdb=" O PRO 2 157 " (cutoff:3.500A) Processing helix chain '2' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE 2 187 " --> pdb=" O VAL 2 183 " (cutoff:3.500A) Processing helix chain '2' and resid 204 through 222 Processing helix chain '3' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS 3 28 " --> pdb=" O GLU 3 24 " (cutoff:3.500A) Processing helix chain '3' and resid 39 through 53 Processing helix chain '3' and resid 66 through 74 Processing helix chain '3' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU 3 79 " --> pdb=" O SER 3 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET 3 80 " --> pdb=" O PHE 3 76 " (cutoff:3.500A) No H-bonds generated for 'chain '3' and resid 75 through 80' Processing helix chain '3' and resid 91 through 101 Processing helix chain '3' and resid 112 through 123 removed outlier: 3.611A pdb=" N PHE 3 118 " --> pdb=" O GLU 3 114 " (cutoff:3.500A) Processing helix chain '3' and resid 132 through 143 Processing helix chain '3' and resid 157 through 164 removed outlier: 3.708A pdb=" N LYS 3 161 " --> pdb=" O PRO 3 157 " (cutoff:3.500A) Processing helix chain '3' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE 3 187 " --> pdb=" O VAL 3 183 " (cutoff:3.500A) Processing helix chain '3' and resid 204 through 222 Processing helix chain '4' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS 4 28 " --> pdb=" O GLU 4 24 " (cutoff:3.500A) Processing helix chain '4' and resid 39 through 53 Processing helix chain '4' and resid 66 through 74 Processing helix chain '4' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU 4 79 " --> pdb=" O SER 4 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET 4 80 " --> pdb=" O PHE 4 76 " (cutoff:3.500A) No H-bonds generated for 'chain '4' and resid 75 through 80' Processing helix chain '4' and resid 91 through 101 Processing helix chain '4' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE 4 118 " --> pdb=" O GLU 4 114 " (cutoff:3.500A) Processing helix chain '4' and resid 132 through 143 Processing helix chain '4' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS 4 161 " --> pdb=" O PRO 4 157 " (cutoff:3.500A) Processing helix chain '4' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE 4 187 " --> pdb=" O VAL 4 183 " (cutoff:3.500A) Processing helix chain '4' and resid 204 through 222 Processing helix chain '5' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS 5 28 " --> pdb=" O GLU 5 24 " (cutoff:3.500A) Processing helix chain '5' and resid 39 through 53 Processing helix chain '5' and resid 66 through 74 Processing helix chain '5' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU 5 79 " --> pdb=" O SER 5 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET 5 80 " --> pdb=" O PHE 5 76 " (cutoff:3.500A) No H-bonds generated for 'chain '5' and resid 75 through 80' Processing helix chain '5' and resid 91 through 101 Processing helix chain '5' and resid 112 through 123 removed outlier: 3.611A pdb=" N PHE 5 118 " --> pdb=" O GLU 5 114 " (cutoff:3.500A) Processing helix chain '5' and resid 132 through 143 Processing helix chain '5' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS 5 161 " --> pdb=" O PRO 5 157 " (cutoff:3.500A) Processing helix chain '5' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE 5 187 " --> pdb=" O VAL 5 183 " (cutoff:3.500A) Processing helix chain '5' and resid 204 through 222 Processing helix chain '6' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS 6 28 " --> pdb=" O GLU 6 24 " (cutoff:3.500A) Processing helix chain '6' and resid 39 through 53 Processing helix chain '6' and resid 66 through 74 Processing helix chain '6' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU 6 79 " --> pdb=" O SER 6 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET 6 80 " --> pdb=" O PHE 6 76 " (cutoff:3.500A) No H-bonds generated for 'chain '6' and resid 75 through 80' Processing helix chain '6' and resid 91 through 101 Processing helix chain '6' and resid 112 through 123 removed outlier: 3.611A pdb=" N PHE 6 118 " --> pdb=" O GLU 6 114 " (cutoff:3.500A) Processing helix chain '6' and resid 132 through 143 Processing helix chain '6' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS 6 161 " --> pdb=" O PRO 6 157 " (cutoff:3.500A) Processing helix chain '6' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE 6 187 " --> pdb=" O VAL 6 183 " (cutoff:3.500A) Processing helix chain '6' and resid 204 through 222 Processing helix chain '7' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS 7 28 " --> pdb=" O GLU 7 24 " (cutoff:3.500A) Processing helix chain '7' and resid 39 through 53 Processing helix chain '7' and resid 66 through 74 Processing helix chain '7' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU 7 79 " --> pdb=" O SER 7 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET 7 80 " --> pdb=" O PHE 7 76 " (cutoff:3.500A) No H-bonds generated for 'chain '7' and resid 75 through 80' Processing helix chain '7' and resid 91 through 101 Processing helix chain '7' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE 7 118 " --> pdb=" O GLU 7 114 " (cutoff:3.500A) Processing helix chain '7' and resid 132 through 143 Processing helix chain '7' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS 7 161 " --> pdb=" O PRO 7 157 " (cutoff:3.500A) Processing helix chain '7' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE 7 187 " --> pdb=" O VAL 7 183 " (cutoff:3.500A) Processing helix chain '7' and resid 204 through 222 Processing helix chain '8' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS 8 28 " --> pdb=" O GLU 8 24 " (cutoff:3.500A) Processing helix chain '8' and resid 39 through 53 Processing helix chain '8' and resid 66 through 74 Processing helix chain '8' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU 8 79 " --> pdb=" O SER 8 75 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N MET 8 80 " --> pdb=" O PHE 8 76 " (cutoff:3.500A) No H-bonds generated for 'chain '8' and resid 75 through 80' Processing helix chain '8' and resid 91 through 101 Processing helix chain '8' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE 8 118 " --> pdb=" O GLU 8 114 " (cutoff:3.500A) Processing helix chain '8' and resid 132 through 143 Processing helix chain '8' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS 8 161 " --> pdb=" O PRO 8 157 " (cutoff:3.500A) Processing helix chain '8' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE 8 187 " --> pdb=" O VAL 8 183 " (cutoff:3.500A) Processing helix chain '8' and resid 204 through 222 Processing helix chain '9' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS 9 28 " --> pdb=" O GLU 9 24 " (cutoff:3.500A) Processing helix chain '9' and resid 39 through 53 Processing helix chain '9' and resid 66 through 74 Processing helix chain '9' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU 9 79 " --> pdb=" O SER 9 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET 9 80 " --> pdb=" O PHE 9 76 " (cutoff:3.500A) No H-bonds generated for 'chain '9' and resid 75 through 80' Processing helix chain '9' and resid 91 through 101 Processing helix chain '9' and resid 112 through 123 removed outlier: 3.611A pdb=" N PHE 9 118 " --> pdb=" O GLU 9 114 " (cutoff:3.500A) Processing helix chain '9' and resid 132 through 143 Processing helix chain '9' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS 9 161 " --> pdb=" O PRO 9 157 " (cutoff:3.500A) Processing helix chain '9' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE 9 187 " --> pdb=" O VAL 9 183 " (cutoff:3.500A) Processing helix chain '9' and resid 204 through 222 Processing helix chain 'a' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS a 28 " --> pdb=" O GLU a 24 " (cutoff:3.500A) Processing helix chain 'a' and resid 39 through 53 Processing helix chain 'a' and resid 66 through 74 Processing helix chain 'a' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU a 79 " --> pdb=" O SER a 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET a 80 " --> pdb=" O PHE a 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'a' and resid 75 through 80' Processing helix chain 'a' and resid 91 through 101 Processing helix chain 'a' and resid 112 through 123 removed outlier: 3.611A pdb=" N PHE a 118 " --> pdb=" O GLU a 114 " (cutoff:3.500A) Processing helix chain 'a' and resid 132 through 143 Processing helix chain 'a' and resid 157 through 164 removed outlier: 3.708A pdb=" N LYS a 161 " --> pdb=" O PRO a 157 " (cutoff:3.500A) Processing helix chain 'a' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE a 187 " --> pdb=" O VAL a 183 " (cutoff:3.500A) Processing helix chain 'a' and resid 204 through 222 Processing helix chain 'b' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS b 28 " --> pdb=" O GLU b 24 " (cutoff:3.500A) Processing helix chain 'b' and resid 39 through 53 Processing helix chain 'b' and resid 66 through 74 Processing helix chain 'b' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU b 79 " --> pdb=" O SER b 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET b 80 " --> pdb=" O PHE b 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'b' and resid 75 through 80' Processing helix chain 'b' and resid 91 through 101 Processing helix chain 'b' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE b 118 " --> pdb=" O GLU b 114 " (cutoff:3.500A) Processing helix chain 'b' and resid 132 through 143 Processing helix chain 'b' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS b 161 " --> pdb=" O PRO b 157 " (cutoff:3.500A) Processing helix chain 'b' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE b 187 " --> pdb=" O VAL b 183 " (cutoff:3.500A) Processing helix chain 'b' and resid 204 through 222 Processing helix chain 'c' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS c 28 " --> pdb=" O GLU c 24 " (cutoff:3.500A) Processing helix chain 'c' and resid 39 through 53 Processing helix chain 'c' and resid 66 through 74 Processing helix chain 'c' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU c 79 " --> pdb=" O SER c 75 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N MET c 80 " --> pdb=" O PHE c 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'c' and resid 75 through 80' Processing helix chain 'c' and resid 91 through 101 Processing helix chain 'c' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE c 118 " --> pdb=" O GLU c 114 " (cutoff:3.500A) Processing helix chain 'c' and resid 132 through 143 Processing helix chain 'c' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS c 161 " --> pdb=" O PRO c 157 " (cutoff:3.500A) Processing helix chain 'c' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE c 187 " --> pdb=" O VAL c 183 " (cutoff:3.500A) Processing helix chain 'c' and resid 204 through 222 Processing helix chain 'd' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS d 28 " --> pdb=" O GLU d 24 " (cutoff:3.500A) Processing helix chain 'd' and resid 39 through 53 Processing helix chain 'd' and resid 66 through 74 Processing helix chain 'd' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU d 79 " --> pdb=" O SER d 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET d 80 " --> pdb=" O PHE d 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'd' and resid 75 through 80' Processing helix chain 'd' and resid 91 through 101 Processing helix chain 'd' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE d 118 " --> pdb=" O GLU d 114 " (cutoff:3.500A) Processing helix chain 'd' and resid 132 through 143 Processing helix chain 'd' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS d 161 " --> pdb=" O PRO d 157 " (cutoff:3.500A) Processing helix chain 'd' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE d 187 " --> pdb=" O VAL d 183 " (cutoff:3.500A) Processing helix chain 'd' and resid 204 through 222 Processing helix chain 'e' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS e 28 " --> pdb=" O GLU e 24 " (cutoff:3.500A) Processing helix chain 'e' and resid 39 through 53 Processing helix chain 'e' and resid 66 through 74 Processing helix chain 'e' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU e 79 " --> pdb=" O SER e 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET e 80 " --> pdb=" O PHE e 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'e' and resid 75 through 80' Processing helix chain 'e' and resid 91 through 101 Processing helix chain 'e' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE e 118 " --> pdb=" O GLU e 114 " (cutoff:3.500A) Processing helix chain 'e' and resid 132 through 143 Processing helix chain 'e' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS e 161 " --> pdb=" O PRO e 157 " (cutoff:3.500A) Processing helix chain 'e' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE e 187 " --> pdb=" O VAL e 183 " (cutoff:3.500A) Processing helix chain 'e' and resid 204 through 222 Processing helix chain 'f' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS f 28 " --> pdb=" O GLU f 24 " (cutoff:3.500A) Processing helix chain 'f' and resid 39 through 53 Processing helix chain 'f' and resid 66 through 74 Processing helix chain 'f' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU f 79 " --> pdb=" O SER f 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET f 80 " --> pdb=" O PHE f 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'f' and resid 75 through 80' Processing helix chain 'f' and resid 91 through 101 Processing helix chain 'f' and resid 112 through 123 removed outlier: 3.611A pdb=" N PHE f 118 " --> pdb=" O GLU f 114 " (cutoff:3.500A) Processing helix chain 'f' and resid 132 through 143 Processing helix chain 'f' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS f 161 " --> pdb=" O PRO f 157 " (cutoff:3.500A) Processing helix chain 'f' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE f 187 " --> pdb=" O VAL f 183 " (cutoff:3.500A) Processing helix chain 'f' and resid 204 through 222 Processing helix chain 'g' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS g 28 " --> pdb=" O GLU g 24 " (cutoff:3.500A) Processing helix chain 'g' and resid 39 through 53 Processing helix chain 'g' and resid 66 through 74 Processing helix chain 'g' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU g 79 " --> pdb=" O SER g 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET g 80 " --> pdb=" O PHE g 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'g' and resid 75 through 80' Processing helix chain 'g' and resid 91 through 101 Processing helix chain 'g' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE g 118 " --> pdb=" O GLU g 114 " (cutoff:3.500A) Processing helix chain 'g' and resid 132 through 143 Processing helix chain 'g' and resid 157 through 164 removed outlier: 3.708A pdb=" N LYS g 161 " --> pdb=" O PRO g 157 " (cutoff:3.500A) Processing helix chain 'g' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE g 187 " --> pdb=" O VAL g 183 " (cutoff:3.500A) Processing helix chain 'g' and resid 204 through 222 Processing helix chain 'h' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS h 28 " --> pdb=" O GLU h 24 " (cutoff:3.500A) Processing helix chain 'h' and resid 39 through 53 Processing helix chain 'h' and resid 66 through 74 Processing helix chain 'h' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU h 79 " --> pdb=" O SER h 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET h 80 " --> pdb=" O PHE h 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'h' and resid 75 through 80' Processing helix chain 'h' and resid 91 through 101 Processing helix chain 'h' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE h 118 " --> pdb=" O GLU h 114 " (cutoff:3.500A) Processing helix chain 'h' and resid 132 through 143 Processing helix chain 'h' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS h 161 " --> pdb=" O PRO h 157 " (cutoff:3.500A) Processing helix chain 'h' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE h 187 " --> pdb=" O VAL h 183 " (cutoff:3.500A) Processing helix chain 'h' and resid 204 through 222 Processing helix chain 'i' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS i 28 " --> pdb=" O GLU i 24 " (cutoff:3.500A) Processing helix chain 'i' and resid 39 through 53 Processing helix chain 'i' and resid 66 through 74 Processing helix chain 'i' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU i 79 " --> pdb=" O SER i 75 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N MET i 80 " --> pdb=" O PHE i 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'i' and resid 75 through 80' Processing helix chain 'i' and resid 91 through 101 Processing helix chain 'i' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE i 118 " --> pdb=" O GLU i 114 " (cutoff:3.500A) Processing helix chain 'i' and resid 132 through 143 Processing helix chain 'i' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS i 161 " --> pdb=" O PRO i 157 " (cutoff:3.500A) Processing helix chain 'i' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE i 187 " --> pdb=" O VAL i 183 " (cutoff:3.500A) Processing helix chain 'i' and resid 204 through 222 Processing helix chain 'j' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS j 28 " --> pdb=" O GLU j 24 " (cutoff:3.500A) Processing helix chain 'j' and resid 39 through 53 Processing helix chain 'j' and resid 66 through 74 Processing helix chain 'j' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU j 79 " --> pdb=" O SER j 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET j 80 " --> pdb=" O PHE j 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'j' and resid 75 through 80' Processing helix chain 'j' and resid 91 through 101 Processing helix chain 'j' and resid 112 through 123 removed outlier: 3.611A pdb=" N PHE j 118 " --> pdb=" O GLU j 114 " (cutoff:3.500A) Processing helix chain 'j' and resid 132 through 143 Processing helix chain 'j' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS j 161 " --> pdb=" O PRO j 157 " (cutoff:3.500A) Processing helix chain 'j' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE j 187 " --> pdb=" O VAL j 183 " (cutoff:3.500A) Processing helix chain 'j' and resid 204 through 222 Processing helix chain 'k' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS k 28 " --> pdb=" O GLU k 24 " (cutoff:3.500A) Processing helix chain 'k' and resid 39 through 53 Processing helix chain 'k' and resid 66 through 74 Processing helix chain 'k' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU k 79 " --> pdb=" O SER k 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET k 80 " --> pdb=" O PHE k 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'k' and resid 75 through 80' Processing helix chain 'k' and resid 91 through 101 Processing helix chain 'k' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE k 118 " --> pdb=" O GLU k 114 " (cutoff:3.500A) Processing helix chain 'k' and resid 132 through 143 Processing helix chain 'k' and resid 157 through 164 removed outlier: 3.708A pdb=" N LYS k 161 " --> pdb=" O PRO k 157 " (cutoff:3.500A) Processing helix chain 'k' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE k 187 " --> pdb=" O VAL k 183 " (cutoff:3.500A) Processing helix chain 'k' and resid 204 through 222 Processing helix chain 'l' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS l 28 " --> pdb=" O GLU l 24 " (cutoff:3.500A) Processing helix chain 'l' and resid 39 through 53 Processing helix chain 'l' and resid 66 through 74 Processing helix chain 'l' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU l 79 " --> pdb=" O SER l 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET l 80 " --> pdb=" O PHE l 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'l' and resid 75 through 80' Processing helix chain 'l' and resid 91 through 101 Processing helix chain 'l' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE l 118 " --> pdb=" O GLU l 114 " (cutoff:3.500A) Processing helix chain 'l' and resid 132 through 143 Processing helix chain 'l' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS l 161 " --> pdb=" O PRO l 157 " (cutoff:3.500A) Processing helix chain 'l' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE l 187 " --> pdb=" O VAL l 183 " (cutoff:3.500A) Processing helix chain 'l' and resid 204 through 222 Processing helix chain 'm' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS m 28 " --> pdb=" O GLU m 24 " (cutoff:3.500A) Processing helix chain 'm' and resid 39 through 53 Processing helix chain 'm' and resid 66 through 74 Processing helix chain 'm' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU m 79 " --> pdb=" O SER m 75 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N MET m 80 " --> pdb=" O PHE m 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'm' and resid 75 through 80' Processing helix chain 'm' and resid 91 through 101 Processing helix chain 'm' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE m 118 " --> pdb=" O GLU m 114 " (cutoff:3.500A) Processing helix chain 'm' and resid 132 through 143 Processing helix chain 'm' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS m 161 " --> pdb=" O PRO m 157 " (cutoff:3.500A) Processing helix chain 'm' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE m 187 " --> pdb=" O VAL m 183 " (cutoff:3.500A) Processing helix chain 'm' and resid 204 through 222 Processing helix chain 'n' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS n 28 " --> pdb=" O GLU n 24 " (cutoff:3.500A) Processing helix chain 'n' and resid 39 through 53 Processing helix chain 'n' and resid 66 through 74 Processing helix chain 'n' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU n 79 " --> pdb=" O SER n 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET n 80 " --> pdb=" O PHE n 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'n' and resid 75 through 80' Processing helix chain 'n' and resid 91 through 101 Processing helix chain 'n' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE n 118 " --> pdb=" O GLU n 114 " (cutoff:3.500A) Processing helix chain 'n' and resid 132 through 143 Processing helix chain 'n' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS n 161 " --> pdb=" O PRO n 157 " (cutoff:3.500A) Processing helix chain 'n' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE n 187 " --> pdb=" O VAL n 183 " (cutoff:3.500A) Processing helix chain 'n' and resid 204 through 222 Processing helix chain 'o' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS o 28 " --> pdb=" O GLU o 24 " (cutoff:3.500A) Processing helix chain 'o' and resid 39 through 53 Processing helix chain 'o' and resid 66 through 74 Processing helix chain 'o' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU o 79 " --> pdb=" O SER o 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET o 80 " --> pdb=" O PHE o 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'o' and resid 75 through 80' Processing helix chain 'o' and resid 91 through 101 Processing helix chain 'o' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE o 118 " --> pdb=" O GLU o 114 " (cutoff:3.500A) Processing helix chain 'o' and resid 132 through 143 Processing helix chain 'o' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS o 161 " --> pdb=" O PRO o 157 " (cutoff:3.500A) Processing helix chain 'o' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE o 187 " --> pdb=" O VAL o 183 " (cutoff:3.500A) Processing helix chain 'o' and resid 204 through 222 Processing helix chain 'p' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS p 28 " --> pdb=" O GLU p 24 " (cutoff:3.500A) Processing helix chain 'p' and resid 39 through 53 Processing helix chain 'p' and resid 66 through 74 Processing helix chain 'p' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU p 79 " --> pdb=" O SER p 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET p 80 " --> pdb=" O PHE p 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'p' and resid 75 through 80' Processing helix chain 'p' and resid 91 through 101 Processing helix chain 'p' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE p 118 " --> pdb=" O GLU p 114 " (cutoff:3.500A) Processing helix chain 'p' and resid 132 through 143 Processing helix chain 'p' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS p 161 " --> pdb=" O PRO p 157 " (cutoff:3.500A) Processing helix chain 'p' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE p 187 " --> pdb=" O VAL p 183 " (cutoff:3.500A) Processing helix chain 'p' and resid 204 through 222 Processing helix chain 'q' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS q 28 " --> pdb=" O GLU q 24 " (cutoff:3.500A) Processing helix chain 'q' and resid 39 through 53 Processing helix chain 'q' and resid 66 through 74 Processing helix chain 'q' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU q 79 " --> pdb=" O SER q 75 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N MET q 80 " --> pdb=" O PHE q 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'q' and resid 75 through 80' Processing helix chain 'q' and resid 91 through 101 Processing helix chain 'q' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE q 118 " --> pdb=" O GLU q 114 " (cutoff:3.500A) Processing helix chain 'q' and resid 132 through 143 Processing helix chain 'q' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS q 161 " --> pdb=" O PRO q 157 " (cutoff:3.500A) Processing helix chain 'q' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE q 187 " --> pdb=" O VAL q 183 " (cutoff:3.500A) Processing helix chain 'q' and resid 204 through 222 Processing helix chain 'r' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS r 28 " --> pdb=" O GLU r 24 " (cutoff:3.500A) Processing helix chain 'r' and resid 39 through 53 Processing helix chain 'r' and resid 66 through 74 Processing helix chain 'r' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU r 79 " --> pdb=" O SER r 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET r 80 " --> pdb=" O PHE r 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'r' and resid 75 through 80' Processing helix chain 'r' and resid 91 through 101 Processing helix chain 'r' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE r 118 " --> pdb=" O GLU r 114 " (cutoff:3.500A) Processing helix chain 'r' and resid 132 through 143 Processing helix chain 'r' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS r 161 " --> pdb=" O PRO r 157 " (cutoff:3.500A) Processing helix chain 'r' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE r 187 " --> pdb=" O VAL r 183 " (cutoff:3.500A) Processing helix chain 'r' and resid 204 through 222 Processing helix chain 's' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS s 28 " --> pdb=" O GLU s 24 " (cutoff:3.500A) Processing helix chain 's' and resid 39 through 53 Processing helix chain 's' and resid 66 through 74 Processing helix chain 's' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU s 79 " --> pdb=" O SER s 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET s 80 " --> pdb=" O PHE s 76 " (cutoff:3.500A) No H-bonds generated for 'chain 's' and resid 75 through 80' Processing helix chain 's' and resid 91 through 101 Processing helix chain 's' and resid 112 through 123 removed outlier: 3.611A pdb=" N PHE s 118 " --> pdb=" O GLU s 114 " (cutoff:3.500A) Processing helix chain 's' and resid 132 through 143 Processing helix chain 's' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS s 161 " --> pdb=" O PRO s 157 " (cutoff:3.500A) Processing helix chain 's' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE s 187 " --> pdb=" O VAL s 183 " (cutoff:3.500A) Processing helix chain 's' and resid 204 through 222 Processing helix chain 't' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS t 28 " --> pdb=" O GLU t 24 " (cutoff:3.500A) Processing helix chain 't' and resid 39 through 53 Processing helix chain 't' and resid 66 through 74 Processing helix chain 't' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU t 79 " --> pdb=" O SER t 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET t 80 " --> pdb=" O PHE t 76 " (cutoff:3.500A) No H-bonds generated for 'chain 't' and resid 75 through 80' Processing helix chain 't' and resid 91 through 101 Processing helix chain 't' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE t 118 " --> pdb=" O GLU t 114 " (cutoff:3.500A) Processing helix chain 't' and resid 132 through 143 Processing helix chain 't' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS t 161 " --> pdb=" O PRO t 157 " (cutoff:3.500A) Processing helix chain 't' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE t 187 " --> pdb=" O VAL t 183 " (cutoff:3.500A) Processing helix chain 't' and resid 204 through 222 Processing helix chain 'u' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS u 28 " --> pdb=" O GLU u 24 " (cutoff:3.500A) Processing helix chain 'u' and resid 39 through 53 Processing helix chain 'u' and resid 66 through 74 Processing helix chain 'u' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU u 79 " --> pdb=" O SER u 75 " (cutoff:3.500A) removed outlier: 4.357A pdb=" N MET u 80 " --> pdb=" O PHE u 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'u' and resid 75 through 80' Processing helix chain 'u' and resid 91 through 101 Processing helix chain 'u' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE u 118 " --> pdb=" O GLU u 114 " (cutoff:3.500A) Processing helix chain 'u' and resid 132 through 143 Processing helix chain 'u' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS u 161 " --> pdb=" O PRO u 157 " (cutoff:3.500A) Processing helix chain 'u' and resid 182 through 190 removed outlier: 3.769A pdb=" N PHE u 187 " --> pdb=" O VAL u 183 " (cutoff:3.500A) Processing helix chain 'u' and resid 204 through 222 Processing helix chain 'v' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS v 28 " --> pdb=" O GLU v 24 " (cutoff:3.500A) Processing helix chain 'v' and resid 39 through 53 Processing helix chain 'v' and resid 66 through 74 Processing helix chain 'v' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU v 79 " --> pdb=" O SER v 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET v 80 " --> pdb=" O PHE v 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'v' and resid 75 through 80' Processing helix chain 'v' and resid 91 through 101 Processing helix chain 'v' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE v 118 " --> pdb=" O GLU v 114 " (cutoff:3.500A) Processing helix chain 'v' and resid 132 through 143 Processing helix chain 'v' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS v 161 " --> pdb=" O PRO v 157 " (cutoff:3.500A) Processing helix chain 'v' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE v 187 " --> pdb=" O VAL v 183 " (cutoff:3.500A) Processing helix chain 'v' and resid 204 through 222 Processing helix chain 'w' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS w 28 " --> pdb=" O GLU w 24 " (cutoff:3.500A) Processing helix chain 'w' and resid 39 through 53 Processing helix chain 'w' and resid 66 through 74 Processing helix chain 'w' and resid 75 through 80 removed outlier: 4.300A pdb=" N GLU w 79 " --> pdb=" O SER w 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET w 80 " --> pdb=" O PHE w 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'w' and resid 75 through 80' Processing helix chain 'w' and resid 91 through 101 Processing helix chain 'w' and resid 112 through 123 removed outlier: 3.611A pdb=" N PHE w 118 " --> pdb=" O GLU w 114 " (cutoff:3.500A) Processing helix chain 'w' and resid 132 through 143 Processing helix chain 'w' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS w 161 " --> pdb=" O PRO w 157 " (cutoff:3.500A) Processing helix chain 'w' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE w 187 " --> pdb=" O VAL w 183 " (cutoff:3.500A) Processing helix chain 'w' and resid 204 through 222 Processing helix chain 'x' and resid 24 through 30 removed outlier: 3.729A pdb=" N LYS x 28 " --> pdb=" O GLU x 24 " (cutoff:3.500A) Processing helix chain 'x' and resid 39 through 53 Processing helix chain 'x' and resid 66 through 74 Processing helix chain 'x' and resid 75 through 80 removed outlier: 4.301A pdb=" N GLU x 79 " --> pdb=" O SER x 75 " (cutoff:3.500A) removed outlier: 4.358A pdb=" N MET x 80 " --> pdb=" O PHE x 76 " (cutoff:3.500A) No H-bonds generated for 'chain 'x' and resid 75 through 80' Processing helix chain 'x' and resid 91 through 101 Processing helix chain 'x' and resid 112 through 123 removed outlier: 3.610A pdb=" N PHE x 118 " --> pdb=" O GLU x 114 " (cutoff:3.500A) Processing helix chain 'x' and resid 132 through 143 Processing helix chain 'x' and resid 157 through 164 removed outlier: 3.709A pdb=" N LYS x 161 " --> pdb=" O PRO x 157 " (cutoff:3.500A) Processing helix chain 'x' and resid 182 through 190 removed outlier: 3.770A pdb=" N PHE x 187 " --> pdb=" O VAL x 183 " (cutoff:3.500A) Processing helix chain 'x' and resid 204 through 222 Processing sheet with id= 1, first strand: chain 'A' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE A 31 " --> pdb=" O LEU A 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU A 59 " --> pdb=" O ILE A 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA A 33 " --> pdb=" O GLU A 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR A 61 " --> pdb=" O ALA A 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU A 35 " --> pdb=" O THR A 61 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE A 106 " --> pdb=" O MET A 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 2 Processing sheet with id= 3, first strand: chain 'A' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU A 147 " --> pdb=" O VAL A 173 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'B' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE B 31 " --> pdb=" O LEU B 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU B 59 " --> pdb=" O ILE B 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA B 33 " --> pdb=" O GLU B 59 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N THR B 61 " --> pdb=" O ALA B 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU B 35 " --> pdb=" O THR B 61 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'B' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE B 106 " --> pdb=" O MET B 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 5 Processing sheet with id= 6, first strand: chain 'B' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU B 147 " --> pdb=" O VAL B 173 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'C' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE C 31 " --> pdb=" O LEU C 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU C 59 " --> pdb=" O ILE C 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA C 33 " --> pdb=" O GLU C 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR C 61 " --> pdb=" O ALA C 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU C 35 " --> pdb=" O THR C 61 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'C' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE C 106 " --> pdb=" O MET C 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 8 Processing sheet with id= 9, first strand: chain 'C' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU C 147 " --> pdb=" O VAL C 173 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'D' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE D 31 " --> pdb=" O LEU D 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU D 59 " --> pdb=" O ILE D 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA D 33 " --> pdb=" O GLU D 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR D 61 " --> pdb=" O ALA D 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU D 35 " --> pdb=" O THR D 61 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'D' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE D 106 " --> pdb=" O MET D 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 11 Processing sheet with id= 12, first strand: chain 'D' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU D 147 " --> pdb=" O VAL D 173 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'E' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE E 31 " --> pdb=" O LEU E 57 " (cutoff:3.500A) removed outlier: 7.579A pdb=" N GLU E 59 " --> pdb=" O ILE E 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA E 33 " --> pdb=" O GLU E 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR E 61 " --> pdb=" O ALA E 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU E 35 " --> pdb=" O THR E 61 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'E' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE E 106 " --> pdb=" O MET E 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 14 Processing sheet with id= 15, first strand: chain 'E' and resid 129 through 130 removed outlier: 6.766A pdb=" N LEU E 147 " --> pdb=" O VAL E 173 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'F' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE F 31 " --> pdb=" O LEU F 57 " (cutoff:3.500A) removed outlier: 7.579A pdb=" N GLU F 59 " --> pdb=" O ILE F 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA F 33 " --> pdb=" O GLU F 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR F 61 " --> pdb=" O ALA F 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU F 35 " --> pdb=" O THR F 61 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'F' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE F 106 " --> pdb=" O MET F 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 17 Processing sheet with id= 18, first strand: chain 'F' and resid 129 through 130 removed outlier: 6.766A pdb=" N LEU F 147 " --> pdb=" O VAL F 173 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'G' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE G 31 " --> pdb=" O LEU G 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU G 59 " --> pdb=" O ILE G 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA G 33 " --> pdb=" O GLU G 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR G 61 " --> pdb=" O ALA G 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU G 35 " --> pdb=" O THR G 61 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'G' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE G 106 " --> pdb=" O MET G 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 20 Processing sheet with id= 21, first strand: chain 'G' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU G 147 " --> pdb=" O VAL G 173 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'H' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE H 31 " --> pdb=" O LEU H 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU H 59 " --> pdb=" O ILE H 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA H 33 " --> pdb=" O GLU H 59 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N THR H 61 " --> pdb=" O ALA H 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU H 35 " --> pdb=" O THR H 61 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'H' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE H 106 " --> pdb=" O MET H 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 23 Processing sheet with id= 24, first strand: chain 'H' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU H 147 " --> pdb=" O VAL H 173 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'I' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE I 31 " --> pdb=" O LEU I 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU I 59 " --> pdb=" O ILE I 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA I 33 " --> pdb=" O GLU I 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR I 61 " --> pdb=" O ALA I 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU I 35 " --> pdb=" O THR I 61 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'I' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE I 106 " --> pdb=" O MET I 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 26 Processing sheet with id= 27, first strand: chain 'I' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU I 147 " --> pdb=" O VAL I 173 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'J' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE J 31 " --> pdb=" O LEU J 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU J 59 " --> pdb=" O ILE J 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA J 33 " --> pdb=" O GLU J 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR J 61 " --> pdb=" O ALA J 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU J 35 " --> pdb=" O THR J 61 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'J' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE J 106 " --> pdb=" O MET J 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 29 Processing sheet with id= 30, first strand: chain 'J' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU J 147 " --> pdb=" O VAL J 173 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'K' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE K 31 " --> pdb=" O LEU K 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU K 59 " --> pdb=" O ILE K 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA K 33 " --> pdb=" O GLU K 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR K 61 " --> pdb=" O ALA K 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU K 35 " --> pdb=" O THR K 61 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'K' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE K 106 " --> pdb=" O MET K 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 32 Processing sheet with id= 33, first strand: chain 'K' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU K 147 " --> pdb=" O VAL K 173 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'L' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE L 31 " --> pdb=" O LEU L 57 " (cutoff:3.500A) removed outlier: 7.579A pdb=" N GLU L 59 " --> pdb=" O ILE L 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA L 33 " --> pdb=" O GLU L 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR L 61 " --> pdb=" O ALA L 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU L 35 " --> pdb=" O THR L 61 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'L' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE L 106 " --> pdb=" O MET L 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 35 Processing sheet with id= 36, first strand: chain 'L' and resid 129 through 130 removed outlier: 6.766A pdb=" N LEU L 147 " --> pdb=" O VAL L 173 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'M' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE M 31 " --> pdb=" O LEU M 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU M 59 " --> pdb=" O ILE M 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA M 33 " --> pdb=" O GLU M 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR M 61 " --> pdb=" O ALA M 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU M 35 " --> pdb=" O THR M 61 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'M' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE M 106 " --> pdb=" O MET M 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 38 Processing sheet with id= 39, first strand: chain 'M' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU M 147 " --> pdb=" O VAL M 173 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'N' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE N 31 " --> pdb=" O LEU N 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU N 59 " --> pdb=" O ILE N 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA N 33 " --> pdb=" O GLU N 59 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N THR N 61 " --> pdb=" O ALA N 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU N 35 " --> pdb=" O THR N 61 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'N' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE N 106 " --> pdb=" O MET N 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 41 Processing sheet with id= 42, first strand: chain 'N' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU N 147 " --> pdb=" O VAL N 173 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'O' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE O 31 " --> pdb=" O LEU O 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU O 59 " --> pdb=" O ILE O 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA O 33 " --> pdb=" O GLU O 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR O 61 " --> pdb=" O ALA O 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU O 35 " --> pdb=" O THR O 61 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'O' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE O 106 " --> pdb=" O MET O 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 44 Processing sheet with id= 45, first strand: chain 'O' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU O 147 " --> pdb=" O VAL O 173 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'P' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE P 31 " --> pdb=" O LEU P 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU P 59 " --> pdb=" O ILE P 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA P 33 " --> pdb=" O GLU P 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR P 61 " --> pdb=" O ALA P 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU P 35 " --> pdb=" O THR P 61 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'P' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE P 106 " --> pdb=" O MET P 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 47 Processing sheet with id= 48, first strand: chain 'P' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU P 147 " --> pdb=" O VAL P 173 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'Q' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE Q 31 " --> pdb=" O LEU Q 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU Q 59 " --> pdb=" O ILE Q 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA Q 33 " --> pdb=" O GLU Q 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR Q 61 " --> pdb=" O ALA Q 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU Q 35 " --> pdb=" O THR Q 61 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'Q' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE Q 106 " --> pdb=" O MET Q 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 50 Processing sheet with id= 51, first strand: chain 'Q' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU Q 147 " --> pdb=" O VAL Q 173 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'R' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE R 31 " --> pdb=" O LEU R 57 " (cutoff:3.500A) removed outlier: 7.579A pdb=" N GLU R 59 " --> pdb=" O ILE R 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA R 33 " --> pdb=" O GLU R 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR R 61 " --> pdb=" O ALA R 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU R 35 " --> pdb=" O THR R 61 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain 'R' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE R 106 " --> pdb=" O MET R 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 53 Processing sheet with id= 54, first strand: chain 'R' and resid 129 through 130 removed outlier: 6.766A pdb=" N LEU R 147 " --> pdb=" O VAL R 173 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain 'S' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE S 31 " --> pdb=" O LEU S 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU S 59 " --> pdb=" O ILE S 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA S 33 " --> pdb=" O GLU S 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR S 61 " --> pdb=" O ALA S 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU S 35 " --> pdb=" O THR S 61 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain 'S' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE S 106 " --> pdb=" O MET S 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 56 Processing sheet with id= 57, first strand: chain 'S' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU S 147 " --> pdb=" O VAL S 173 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain 'T' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE T 31 " --> pdb=" O LEU T 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU T 59 " --> pdb=" O ILE T 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA T 33 " --> pdb=" O GLU T 59 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N THR T 61 " --> pdb=" O ALA T 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU T 35 " --> pdb=" O THR T 61 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain 'T' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE T 106 " --> pdb=" O MET T 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 59 Processing sheet with id= 60, first strand: chain 'T' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU T 147 " --> pdb=" O VAL T 173 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain 'U' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE U 31 " --> pdb=" O LEU U 57 " (cutoff:3.500A) removed outlier: 7.579A pdb=" N GLU U 59 " --> pdb=" O ILE U 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA U 33 " --> pdb=" O GLU U 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR U 61 " --> pdb=" O ALA U 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU U 35 " --> pdb=" O THR U 61 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain 'U' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE U 106 " --> pdb=" O MET U 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 62 Processing sheet with id= 63, first strand: chain 'U' and resid 129 through 130 removed outlier: 6.766A pdb=" N LEU U 147 " --> pdb=" O VAL U 173 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain 'V' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE V 31 " --> pdb=" O LEU V 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU V 59 " --> pdb=" O ILE V 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA V 33 " --> pdb=" O GLU V 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR V 61 " --> pdb=" O ALA V 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU V 35 " --> pdb=" O THR V 61 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain 'V' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE V 106 " --> pdb=" O MET V 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 65 Processing sheet with id= 66, first strand: chain 'V' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU V 147 " --> pdb=" O VAL V 173 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain 'W' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE W 31 " --> pdb=" O LEU W 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU W 59 " --> pdb=" O ILE W 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA W 33 " --> pdb=" O GLU W 59 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N THR W 61 " --> pdb=" O ALA W 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU W 35 " --> pdb=" O THR W 61 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain 'W' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE W 106 " --> pdb=" O MET W 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 68 Processing sheet with id= 69, first strand: chain 'W' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU W 147 " --> pdb=" O VAL W 173 " (cutoff:3.500A) Processing sheet with id= 70, first strand: chain 'X' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE X 31 " --> pdb=" O LEU X 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU X 59 " --> pdb=" O ILE X 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA X 33 " --> pdb=" O GLU X 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR X 61 " --> pdb=" O ALA X 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU X 35 " --> pdb=" O THR X 61 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain 'X' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE X 106 " --> pdb=" O MET X 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 71 Processing sheet with id= 72, first strand: chain 'X' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU X 147 " --> pdb=" O VAL X 173 " (cutoff:3.500A) Processing sheet with id= 73, first strand: chain 'Y' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE Y 31 " --> pdb=" O LEU Y 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU Y 59 " --> pdb=" O ILE Y 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA Y 33 " --> pdb=" O GLU Y 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR Y 61 " --> pdb=" O ALA Y 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU Y 35 " --> pdb=" O THR Y 61 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'Y' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE Y 106 " --> pdb=" O MET Y 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 74 Processing sheet with id= 75, first strand: chain 'Y' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU Y 147 " --> pdb=" O VAL Y 173 " (cutoff:3.500A) Processing sheet with id= 76, first strand: chain 'Z' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE Z 31 " --> pdb=" O LEU Z 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU Z 59 " --> pdb=" O ILE Z 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA Z 33 " --> pdb=" O GLU Z 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR Z 61 " --> pdb=" O ALA Z 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU Z 35 " --> pdb=" O THR Z 61 " (cutoff:3.500A) Processing sheet with id= 77, first strand: chain 'Z' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE Z 106 " --> pdb=" O MET Z 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 77 Processing sheet with id= 78, first strand: chain 'Z' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU Z 147 " --> pdb=" O VAL Z 173 " (cutoff:3.500A) Processing sheet with id= 79, first strand: chain '0' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE 0 31 " --> pdb=" O LEU 0 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU 0 59 " --> pdb=" O ILE 0 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA 0 33 " --> pdb=" O GLU 0 59 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N THR 0 61 " --> pdb=" O ALA 0 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU 0 35 " --> pdb=" O THR 0 61 " (cutoff:3.500A) Processing sheet with id= 80, first strand: chain '0' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE 0 106 " --> pdb=" O MET 0 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 80 Processing sheet with id= 81, first strand: chain '0' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU 0 147 " --> pdb=" O VAL 0 173 " (cutoff:3.500A) Processing sheet with id= 82, first strand: chain '1' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE 1 31 " --> pdb=" O LEU 1 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU 1 59 " --> pdb=" O ILE 1 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA 1 33 " --> pdb=" O GLU 1 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR 1 61 " --> pdb=" O ALA 1 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU 1 35 " --> pdb=" O THR 1 61 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain '1' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE 1 106 " --> pdb=" O MET 1 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 83 Processing sheet with id= 84, first strand: chain '1' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU 1 147 " --> pdb=" O VAL 1 173 " (cutoff:3.500A) Processing sheet with id= 85, first strand: chain '2' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE 2 31 " --> pdb=" O LEU 2 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU 2 59 " --> pdb=" O ILE 2 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA 2 33 " --> pdb=" O GLU 2 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR 2 61 " --> pdb=" O ALA 2 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU 2 35 " --> pdb=" O THR 2 61 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain '2' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE 2 106 " --> pdb=" O MET 2 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 86 Processing sheet with id= 87, first strand: chain '2' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU 2 147 " --> pdb=" O VAL 2 173 " (cutoff:3.500A) Processing sheet with id= 88, first strand: chain '3' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE 3 31 " --> pdb=" O LEU 3 57 " (cutoff:3.500A) removed outlier: 7.579A pdb=" N GLU 3 59 " --> pdb=" O ILE 3 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA 3 33 " --> pdb=" O GLU 3 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR 3 61 " --> pdb=" O ALA 3 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU 3 35 " --> pdb=" O THR 3 61 " (cutoff:3.500A) Processing sheet with id= 89, first strand: chain '3' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE 3 106 " --> pdb=" O MET 3 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 89 Processing sheet with id= 90, first strand: chain '3' and resid 129 through 130 removed outlier: 6.766A pdb=" N LEU 3 147 " --> pdb=" O VAL 3 173 " (cutoff:3.500A) Processing sheet with id= 91, first strand: chain '4' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE 4 31 " --> pdb=" O LEU 4 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU 4 59 " --> pdb=" O ILE 4 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA 4 33 " --> pdb=" O GLU 4 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR 4 61 " --> pdb=" O ALA 4 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU 4 35 " --> pdb=" O THR 4 61 " (cutoff:3.500A) Processing sheet with id= 92, first strand: chain '4' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE 4 106 " --> pdb=" O MET 4 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 92 Processing sheet with id= 93, first strand: chain '4' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU 4 147 " --> pdb=" O VAL 4 173 " (cutoff:3.500A) Processing sheet with id= 94, first strand: chain '5' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE 5 31 " --> pdb=" O LEU 5 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU 5 59 " --> pdb=" O ILE 5 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA 5 33 " --> pdb=" O GLU 5 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR 5 61 " --> pdb=" O ALA 5 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU 5 35 " --> pdb=" O THR 5 61 " (cutoff:3.500A) Processing sheet with id= 95, first strand: chain '5' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE 5 106 " --> pdb=" O MET 5 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 95 Processing sheet with id= 96, first strand: chain '5' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU 5 147 " --> pdb=" O VAL 5 173 " (cutoff:3.500A) Processing sheet with id= 97, first strand: chain '6' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE 6 31 " --> pdb=" O LEU 6 57 " (cutoff:3.500A) removed outlier: 7.579A pdb=" N GLU 6 59 " --> pdb=" O ILE 6 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA 6 33 " --> pdb=" O GLU 6 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR 6 61 " --> pdb=" O ALA 6 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU 6 35 " --> pdb=" O THR 6 61 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain '6' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE 6 106 " --> pdb=" O MET 6 127 " (cutoff:3.500A) No H-bonds generated for sheet with id= 98 Processing sheet with id= 99, first strand: chain '6' and resid 129 through 130 removed outlier: 6.766A pdb=" N LEU 6 147 " --> pdb=" O VAL 6 173 " (cutoff:3.500A) Processing sheet with id=100, first strand: chain '7' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE 7 31 " --> pdb=" O LEU 7 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU 7 59 " --> pdb=" O ILE 7 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA 7 33 " --> pdb=" O GLU 7 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR 7 61 " --> pdb=" O ALA 7 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU 7 35 " --> pdb=" O THR 7 61 " (cutoff:3.500A) Processing sheet with id=101, first strand: chain '7' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE 7 106 " --> pdb=" O MET 7 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=101 Processing sheet with id=102, first strand: chain '7' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU 7 147 " --> pdb=" O VAL 7 173 " (cutoff:3.500A) Processing sheet with id=103, first strand: chain '8' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE 8 31 " --> pdb=" O LEU 8 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU 8 59 " --> pdb=" O ILE 8 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA 8 33 " --> pdb=" O GLU 8 59 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N THR 8 61 " --> pdb=" O ALA 8 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU 8 35 " --> pdb=" O THR 8 61 " (cutoff:3.500A) Processing sheet with id=104, first strand: chain '8' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE 8 106 " --> pdb=" O MET 8 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=104 Processing sheet with id=105, first strand: chain '8' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU 8 147 " --> pdb=" O VAL 8 173 " (cutoff:3.500A) Processing sheet with id=106, first strand: chain '9' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE 9 31 " --> pdb=" O LEU 9 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU 9 59 " --> pdb=" O ILE 9 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA 9 33 " --> pdb=" O GLU 9 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR 9 61 " --> pdb=" O ALA 9 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU 9 35 " --> pdb=" O THR 9 61 " (cutoff:3.500A) Processing sheet with id=107, first strand: chain '9' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE 9 106 " --> pdb=" O MET 9 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=107 Processing sheet with id=108, first strand: chain '9' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU 9 147 " --> pdb=" O VAL 9 173 " (cutoff:3.500A) Processing sheet with id=109, first strand: chain 'a' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE a 31 " --> pdb=" O LEU a 57 " (cutoff:3.500A) removed outlier: 7.579A pdb=" N GLU a 59 " --> pdb=" O ILE a 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA a 33 " --> pdb=" O GLU a 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR a 61 " --> pdb=" O ALA a 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU a 35 " --> pdb=" O THR a 61 " (cutoff:3.500A) Processing sheet with id=110, first strand: chain 'a' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE a 106 " --> pdb=" O MET a 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=110 Processing sheet with id=111, first strand: chain 'a' and resid 129 through 130 removed outlier: 6.766A pdb=" N LEU a 147 " --> pdb=" O VAL a 173 " (cutoff:3.500A) Processing sheet with id=112, first strand: chain 'b' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE b 31 " --> pdb=" O LEU b 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU b 59 " --> pdb=" O ILE b 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA b 33 " --> pdb=" O GLU b 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR b 61 " --> pdb=" O ALA b 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU b 35 " --> pdb=" O THR b 61 " (cutoff:3.500A) Processing sheet with id=113, first strand: chain 'b' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE b 106 " --> pdb=" O MET b 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=113 Processing sheet with id=114, first strand: chain 'b' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU b 147 " --> pdb=" O VAL b 173 " (cutoff:3.500A) Processing sheet with id=115, first strand: chain 'c' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE c 31 " --> pdb=" O LEU c 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU c 59 " --> pdb=" O ILE c 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA c 33 " --> pdb=" O GLU c 59 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N THR c 61 " --> pdb=" O ALA c 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU c 35 " --> pdb=" O THR c 61 " (cutoff:3.500A) Processing sheet with id=116, first strand: chain 'c' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE c 106 " --> pdb=" O MET c 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=116 Processing sheet with id=117, first strand: chain 'c' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU c 147 " --> pdb=" O VAL c 173 " (cutoff:3.500A) Processing sheet with id=118, first strand: chain 'd' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE d 31 " --> pdb=" O LEU d 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU d 59 " --> pdb=" O ILE d 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA d 33 " --> pdb=" O GLU d 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR d 61 " --> pdb=" O ALA d 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU d 35 " --> pdb=" O THR d 61 " (cutoff:3.500A) Processing sheet with id=119, first strand: chain 'd' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE d 106 " --> pdb=" O MET d 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=119 Processing sheet with id=120, first strand: chain 'd' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU d 147 " --> pdb=" O VAL d 173 " (cutoff:3.500A) Processing sheet with id=121, first strand: chain 'e' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE e 31 " --> pdb=" O LEU e 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU e 59 " --> pdb=" O ILE e 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA e 33 " --> pdb=" O GLU e 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR e 61 " --> pdb=" O ALA e 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU e 35 " --> pdb=" O THR e 61 " (cutoff:3.500A) Processing sheet with id=122, first strand: chain 'e' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE e 106 " --> pdb=" O MET e 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=122 Processing sheet with id=123, first strand: chain 'e' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU e 147 " --> pdb=" O VAL e 173 " (cutoff:3.500A) Processing sheet with id=124, first strand: chain 'f' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE f 31 " --> pdb=" O LEU f 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU f 59 " --> pdb=" O ILE f 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA f 33 " --> pdb=" O GLU f 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR f 61 " --> pdb=" O ALA f 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU f 35 " --> pdb=" O THR f 61 " (cutoff:3.500A) Processing sheet with id=125, first strand: chain 'f' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE f 106 " --> pdb=" O MET f 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=125 Processing sheet with id=126, first strand: chain 'f' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU f 147 " --> pdb=" O VAL f 173 " (cutoff:3.500A) Processing sheet with id=127, first strand: chain 'g' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE g 31 " --> pdb=" O LEU g 57 " (cutoff:3.500A) removed outlier: 7.579A pdb=" N GLU g 59 " --> pdb=" O ILE g 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA g 33 " --> pdb=" O GLU g 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR g 61 " --> pdb=" O ALA g 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU g 35 " --> pdb=" O THR g 61 " (cutoff:3.500A) Processing sheet with id=128, first strand: chain 'g' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE g 106 " --> pdb=" O MET g 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=128 Processing sheet with id=129, first strand: chain 'g' and resid 129 through 130 removed outlier: 6.766A pdb=" N LEU g 147 " --> pdb=" O VAL g 173 " (cutoff:3.500A) Processing sheet with id=130, first strand: chain 'h' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE h 31 " --> pdb=" O LEU h 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU h 59 " --> pdb=" O ILE h 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA h 33 " --> pdb=" O GLU h 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR h 61 " --> pdb=" O ALA h 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU h 35 " --> pdb=" O THR h 61 " (cutoff:3.500A) Processing sheet with id=131, first strand: chain 'h' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE h 106 " --> pdb=" O MET h 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=131 Processing sheet with id=132, first strand: chain 'h' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU h 147 " --> pdb=" O VAL h 173 " (cutoff:3.500A) Processing sheet with id=133, first strand: chain 'i' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE i 31 " --> pdb=" O LEU i 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU i 59 " --> pdb=" O ILE i 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA i 33 " --> pdb=" O GLU i 59 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N THR i 61 " --> pdb=" O ALA i 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU i 35 " --> pdb=" O THR i 61 " (cutoff:3.500A) Processing sheet with id=134, first strand: chain 'i' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE i 106 " --> pdb=" O MET i 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=134 Processing sheet with id=135, first strand: chain 'i' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU i 147 " --> pdb=" O VAL i 173 " (cutoff:3.500A) Processing sheet with id=136, first strand: chain 'j' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE j 31 " --> pdb=" O LEU j 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU j 59 " --> pdb=" O ILE j 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA j 33 " --> pdb=" O GLU j 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR j 61 " --> pdb=" O ALA j 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU j 35 " --> pdb=" O THR j 61 " (cutoff:3.500A) Processing sheet with id=137, first strand: chain 'j' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE j 106 " --> pdb=" O MET j 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=137 Processing sheet with id=138, first strand: chain 'j' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU j 147 " --> pdb=" O VAL j 173 " (cutoff:3.500A) Processing sheet with id=139, first strand: chain 'k' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE k 31 " --> pdb=" O LEU k 57 " (cutoff:3.500A) removed outlier: 7.579A pdb=" N GLU k 59 " --> pdb=" O ILE k 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA k 33 " --> pdb=" O GLU k 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR k 61 " --> pdb=" O ALA k 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU k 35 " --> pdb=" O THR k 61 " (cutoff:3.500A) Processing sheet with id=140, first strand: chain 'k' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE k 106 " --> pdb=" O MET k 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=140 Processing sheet with id=141, first strand: chain 'k' and resid 129 through 130 removed outlier: 6.766A pdb=" N LEU k 147 " --> pdb=" O VAL k 173 " (cutoff:3.500A) Processing sheet with id=142, first strand: chain 'l' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE l 31 " --> pdb=" O LEU l 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU l 59 " --> pdb=" O ILE l 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA l 33 " --> pdb=" O GLU l 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR l 61 " --> pdb=" O ALA l 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU l 35 " --> pdb=" O THR l 61 " (cutoff:3.500A) Processing sheet with id=143, first strand: chain 'l' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE l 106 " --> pdb=" O MET l 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=143 Processing sheet with id=144, first strand: chain 'l' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU l 147 " --> pdb=" O VAL l 173 " (cutoff:3.500A) Processing sheet with id=145, first strand: chain 'm' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE m 31 " --> pdb=" O LEU m 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU m 59 " --> pdb=" O ILE m 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA m 33 " --> pdb=" O GLU m 59 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N THR m 61 " --> pdb=" O ALA m 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU m 35 " --> pdb=" O THR m 61 " (cutoff:3.500A) Processing sheet with id=146, first strand: chain 'm' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE m 106 " --> pdb=" O MET m 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=146 Processing sheet with id=147, first strand: chain 'm' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU m 147 " --> pdb=" O VAL m 173 " (cutoff:3.500A) Processing sheet with id=148, first strand: chain 'n' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE n 31 " --> pdb=" O LEU n 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU n 59 " --> pdb=" O ILE n 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA n 33 " --> pdb=" O GLU n 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR n 61 " --> pdb=" O ALA n 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU n 35 " --> pdb=" O THR n 61 " (cutoff:3.500A) Processing sheet with id=149, first strand: chain 'n' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE n 106 " --> pdb=" O MET n 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=149 Processing sheet with id=150, first strand: chain 'n' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU n 147 " --> pdb=" O VAL n 173 " (cutoff:3.500A) Processing sheet with id=151, first strand: chain 'o' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE o 31 " --> pdb=" O LEU o 57 " (cutoff:3.500A) removed outlier: 7.579A pdb=" N GLU o 59 " --> pdb=" O ILE o 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA o 33 " --> pdb=" O GLU o 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR o 61 " --> pdb=" O ALA o 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU o 35 " --> pdb=" O THR o 61 " (cutoff:3.500A) Processing sheet with id=152, first strand: chain 'o' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE o 106 " --> pdb=" O MET o 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=152 Processing sheet with id=153, first strand: chain 'o' and resid 129 through 130 removed outlier: 6.766A pdb=" N LEU o 147 " --> pdb=" O VAL o 173 " (cutoff:3.500A) Processing sheet with id=154, first strand: chain 'p' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE p 31 " --> pdb=" O LEU p 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU p 59 " --> pdb=" O ILE p 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA p 33 " --> pdb=" O GLU p 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR p 61 " --> pdb=" O ALA p 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU p 35 " --> pdb=" O THR p 61 " (cutoff:3.500A) Processing sheet with id=155, first strand: chain 'p' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE p 106 " --> pdb=" O MET p 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=155 Processing sheet with id=156, first strand: chain 'p' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU p 147 " --> pdb=" O VAL p 173 " (cutoff:3.500A) Processing sheet with id=157, first strand: chain 'q' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE q 31 " --> pdb=" O LEU q 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU q 59 " --> pdb=" O ILE q 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA q 33 " --> pdb=" O GLU q 59 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N THR q 61 " --> pdb=" O ALA q 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU q 35 " --> pdb=" O THR q 61 " (cutoff:3.500A) Processing sheet with id=158, first strand: chain 'q' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE q 106 " --> pdb=" O MET q 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=158 Processing sheet with id=159, first strand: chain 'q' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU q 147 " --> pdb=" O VAL q 173 " (cutoff:3.500A) Processing sheet with id=160, first strand: chain 'r' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE r 31 " --> pdb=" O LEU r 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU r 59 " --> pdb=" O ILE r 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA r 33 " --> pdb=" O GLU r 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR r 61 " --> pdb=" O ALA r 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU r 35 " --> pdb=" O THR r 61 " (cutoff:3.500A) Processing sheet with id=161, first strand: chain 'r' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE r 106 " --> pdb=" O MET r 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=161 Processing sheet with id=162, first strand: chain 'r' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU r 147 " --> pdb=" O VAL r 173 " (cutoff:3.500A) Processing sheet with id=163, first strand: chain 's' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE s 31 " --> pdb=" O LEU s 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU s 59 " --> pdb=" O ILE s 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA s 33 " --> pdb=" O GLU s 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR s 61 " --> pdb=" O ALA s 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU s 35 " --> pdb=" O THR s 61 " (cutoff:3.500A) Processing sheet with id=164, first strand: chain 's' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE s 106 " --> pdb=" O MET s 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=164 Processing sheet with id=165, first strand: chain 's' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU s 147 " --> pdb=" O VAL s 173 " (cutoff:3.500A) Processing sheet with id=166, first strand: chain 't' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE t 31 " --> pdb=" O LEU t 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU t 59 " --> pdb=" O ILE t 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA t 33 " --> pdb=" O GLU t 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR t 61 " --> pdb=" O ALA t 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU t 35 " --> pdb=" O THR t 61 " (cutoff:3.500A) Processing sheet with id=167, first strand: chain 't' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE t 106 " --> pdb=" O MET t 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=167 Processing sheet with id=168, first strand: chain 't' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU t 147 " --> pdb=" O VAL t 173 " (cutoff:3.500A) Processing sheet with id=169, first strand: chain 'u' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE u 31 " --> pdb=" O LEU u 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU u 59 " --> pdb=" O ILE u 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA u 33 " --> pdb=" O GLU u 59 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N THR u 61 " --> pdb=" O ALA u 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU u 35 " --> pdb=" O THR u 61 " (cutoff:3.500A) Processing sheet with id=170, first strand: chain 'u' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE u 106 " --> pdb=" O MET u 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=170 Processing sheet with id=171, first strand: chain 'u' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU u 147 " --> pdb=" O VAL u 173 " (cutoff:3.500A) Processing sheet with id=172, first strand: chain 'v' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE v 31 " --> pdb=" O LEU v 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU v 59 " --> pdb=" O ILE v 31 " (cutoff:3.500A) removed outlier: 5.833A pdb=" N ALA v 33 " --> pdb=" O GLU v 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR v 61 " --> pdb=" O ALA v 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU v 35 " --> pdb=" O THR v 61 " (cutoff:3.500A) Processing sheet with id=173, first strand: chain 'v' and resid 105 through 107 removed outlier: 6.588A pdb=" N ILE v 106 " --> pdb=" O MET v 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=173 Processing sheet with id=174, first strand: chain 'v' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU v 147 " --> pdb=" O VAL v 173 " (cutoff:3.500A) Processing sheet with id=175, first strand: chain 'w' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE w 31 " --> pdb=" O LEU w 57 " (cutoff:3.500A) removed outlier: 7.580A pdb=" N GLU w 59 " --> pdb=" O ILE w 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA w 33 " --> pdb=" O GLU w 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR w 61 " --> pdb=" O ALA w 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU w 35 " --> pdb=" O THR w 61 " (cutoff:3.500A) Processing sheet with id=176, first strand: chain 'w' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE w 106 " --> pdb=" O MET w 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=176 Processing sheet with id=177, first strand: chain 'w' and resid 129 through 130 removed outlier: 6.767A pdb=" N LEU w 147 " --> pdb=" O VAL w 173 " (cutoff:3.500A) Processing sheet with id=178, first strand: chain 'x' and resid 83 through 87 removed outlier: 6.745A pdb=" N ILE x 31 " --> pdb=" O LEU x 57 " (cutoff:3.500A) removed outlier: 7.579A pdb=" N GLU x 59 " --> pdb=" O ILE x 31 " (cutoff:3.500A) removed outlier: 5.834A pdb=" N ALA x 33 " --> pdb=" O GLU x 59 " (cutoff:3.500A) removed outlier: 6.541A pdb=" N THR x 61 " --> pdb=" O ALA x 33 " (cutoff:3.500A) removed outlier: 7.289A pdb=" N LEU x 35 " --> pdb=" O THR x 61 " (cutoff:3.500A) Processing sheet with id=179, first strand: chain 'x' and resid 105 through 107 removed outlier: 6.589A pdb=" N ILE x 106 " --> pdb=" O MET x 127 " (cutoff:3.500A) No H-bonds generated for sheet with id=179 Processing sheet with id=180, first strand: chain 'x' and resid 129 through 130 removed outlier: 6.766A pdb=" N LEU x 147 " --> pdb=" O VAL x 173 " (cutoff:3.500A) 4200 hydrogen bonds defined for protein. 12600 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: 43.97 Time building geometry restraints manager: 29.67 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.23 - 1.34: 28680 1.34 - 1.46: 17012 1.46 - 1.58: 46168 1.58 - 1.69: 0 1.69 - 1.81: 960 Bond restraints: 92820 Sorted by residual: bond pdb=" CB PRO k 128 " pdb=" CG PRO k 128 " ideal model delta sigma weight residual 1.492 1.530 -0.038 5.00e-02 4.00e+02 5.90e-01 bond pdb=" CB PRO 3 128 " pdb=" CG PRO 3 128 " ideal model delta sigma weight residual 1.492 1.530 -0.038 5.00e-02 4.00e+02 5.90e-01 bond pdb=" CB PRO E 128 " pdb=" CG PRO E 128 " ideal model delta sigma weight residual 1.492 1.530 -0.038 5.00e-02 4.00e+02 5.90e-01 bond pdb=" CB PRO a 128 " pdb=" CG PRO a 128 " ideal model delta sigma weight residual 1.492 1.530 -0.038 5.00e-02 4.00e+02 5.90e-01 bond pdb=" CB PRO g 128 " pdb=" CG PRO g 128 " ideal model delta sigma weight residual 1.492 1.530 -0.038 5.00e-02 4.00e+02 5.90e-01 ... (remaining 92815 not shown) Histogram of bond angle deviations from ideal: 100.78 - 107.40: 3480 107.40 - 114.03: 54582 114.03 - 120.66: 36548 120.66 - 127.29: 29710 127.29 - 133.91: 840 Bond angle restraints: 125160 Sorted by residual: angle pdb=" N LEU m 111 " pdb=" CA LEU m 111 " pdb=" C LEU m 111 " ideal model delta sigma weight residual 110.44 105.28 5.16 1.20e+00 6.94e-01 1.85e+01 angle pdb=" N LEU 8 111 " pdb=" CA LEU 8 111 " pdb=" C LEU 8 111 " ideal model delta sigma weight residual 110.44 105.28 5.16 1.20e+00 6.94e-01 1.85e+01 angle pdb=" N LEU q 111 " pdb=" CA LEU q 111 " pdb=" C LEU q 111 " ideal model delta sigma weight residual 110.44 105.28 5.16 1.20e+00 6.94e-01 1.85e+01 angle pdb=" N LEU i 111 " pdb=" CA LEU i 111 " pdb=" C LEU i 111 " ideal model delta sigma weight residual 110.44 105.28 5.16 1.20e+00 6.94e-01 1.85e+01 angle pdb=" N LEU u 111 " pdb=" CA LEU u 111 " pdb=" C LEU u 111 " ideal model delta sigma weight residual 110.44 105.28 5.16 1.20e+00 6.94e-01 1.85e+01 ... (remaining 125155 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 17.87: 47612 17.87 - 35.74: 6388 35.74 - 53.61: 1920 53.61 - 71.49: 240 71.49 - 89.36: 120 Dihedral angle restraints: 56280 sinusoidal: 22380 harmonic: 33900 Sorted by residual: dihedral pdb=" CA HIS U 110 " pdb=" C HIS U 110 " pdb=" N LEU U 111 " pdb=" CA LEU U 111 " ideal model delta harmonic sigma weight residual 180.00 159.01 20.99 0 5.00e+00 4.00e-02 1.76e+01 dihedral pdb=" CA HIS 6 110 " pdb=" C HIS 6 110 " pdb=" N LEU 6 111 " pdb=" CA LEU 6 111 " ideal model delta harmonic sigma weight residual 180.00 159.01 20.99 0 5.00e+00 4.00e-02 1.76e+01 dihedral pdb=" CA HIS F 110 " pdb=" C HIS F 110 " pdb=" N LEU F 111 " pdb=" CA LEU F 111 " ideal model delta harmonic sigma weight residual 180.00 159.01 20.99 0 5.00e+00 4.00e-02 1.76e+01 ... (remaining 56277 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.028: 9150 0.028 - 0.057: 2919 0.057 - 0.085: 1251 0.085 - 0.114: 1121 0.114 - 0.142: 259 Chirality restraints: 14700 Sorted by residual: chirality pdb=" CA VAL S 64 " pdb=" N VAL S 64 " pdb=" C VAL S 64 " pdb=" CB VAL S 64 " both_signs ideal model delta sigma weight residual False 2.44 2.58 -0.14 2.00e-01 2.50e+01 5.07e-01 chirality pdb=" CA VAL t 64 " pdb=" N VAL t 64 " pdb=" C VAL t 64 " pdb=" CB VAL t 64 " both_signs ideal model delta sigma weight residual False 2.44 2.58 -0.14 2.00e-01 2.50e+01 5.07e-01 chirality pdb=" CA VAL M 64 " pdb=" N VAL M 64 " pdb=" C VAL M 64 " pdb=" CB VAL M 64 " both_signs ideal model delta sigma weight residual False 2.44 2.58 -0.14 2.00e-01 2.50e+01 5.07e-01 ... (remaining 14697 not shown) Planarity restraints: 15720 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CB PHE q 118 " 0.009 2.00e-02 2.50e+03 1.22e-02 2.62e+00 pdb=" CG PHE q 118 " -0.028 2.00e-02 2.50e+03 pdb=" CD1 PHE q 118 " 0.009 2.00e-02 2.50e+03 pdb=" CD2 PHE q 118 " 0.009 2.00e-02 2.50e+03 pdb=" CE1 PHE q 118 " 0.001 2.00e-02 2.50e+03 pdb=" CE2 PHE q 118 " 0.000 2.00e-02 2.50e+03 pdb=" CZ PHE q 118 " -0.000 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB PHE m 118 " -0.009 2.00e-02 2.50e+03 1.22e-02 2.62e+00 pdb=" CG PHE m 118 " 0.028 2.00e-02 2.50e+03 pdb=" CD1 PHE m 118 " -0.009 2.00e-02 2.50e+03 pdb=" CD2 PHE m 118 " -0.009 2.00e-02 2.50e+03 pdb=" CE1 PHE m 118 " -0.001 2.00e-02 2.50e+03 pdb=" CE2 PHE m 118 " -0.000 2.00e-02 2.50e+03 pdb=" CZ PHE m 118 " 0.000 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB PHE u 118 " 0.009 2.00e-02 2.50e+03 1.22e-02 2.62e+00 pdb=" CG PHE u 118 " -0.028 2.00e-02 2.50e+03 pdb=" CD1 PHE u 118 " 0.009 2.00e-02 2.50e+03 pdb=" CD2 PHE u 118 " 0.009 2.00e-02 2.50e+03 pdb=" CE1 PHE u 118 " 0.001 2.00e-02 2.50e+03 pdb=" CE2 PHE u 118 " 0.000 2.00e-02 2.50e+03 pdb=" CZ PHE u 118 " -0.000 2.00e-02 2.50e+03 ... (remaining 15717 not shown) Histogram of nonbonded interaction distances: 2.28 - 2.80: 22920 2.80 - 3.33: 83940 3.33 - 3.85: 150055 3.85 - 4.38: 172953 4.38 - 4.90: 299726 Nonbonded interactions: 729594 Sorted by model distance: nonbonded pdb=" ND1 HIS m 56 " pdb=" O GLY m 81 " model vdw 2.278 2.520 nonbonded pdb=" ND1 HIS 8 56 " pdb=" O GLY 8 81 " model vdw 2.278 2.520 nonbonded pdb=" ND1 HIS u 56 " pdb=" O GLY u 81 " model vdw 2.278 2.520 nonbonded pdb=" ND1 HIS T 56 " pdb=" O GLY T 81 " model vdw 2.278 2.520 nonbonded pdb=" ND1 HIS B 56 " pdb=" O GLY B 81 " model vdw 2.278 2.520 ... (remaining 729589 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = chain '0' selection = chain '1' selection = chain '2' selection = chain '3' selection = chain '4' selection = chain '5' selection = chain '6' selection = chain '7' selection = chain '8' selection = chain '9' selection = chain 'A' selection = chain 'B' selection = chain 'C' selection = chain 'D' selection = chain 'E' selection = chain 'F' selection = chain 'G' selection = chain 'H' selection = chain 'I' selection = chain 'J' selection = chain 'K' selection = chain 'L' selection = chain 'M' selection = chain 'N' selection = chain 'O' selection = chain 'P' selection = chain 'Q' selection = chain 'R' selection = chain 'S' selection = chain 'T' selection = chain 'U' selection = chain 'V' selection = chain 'W' selection = chain 'X' selection = chain 'Y' selection = chain 'Z' selection = chain 'a' selection = chain 'b' selection = chain 'c' selection = chain 'd' selection = chain 'e' selection = chain 'f' selection = chain 'g' selection = chain 'h' selection = chain 'i' selection = chain 'j' selection = chain 'k' selection = chain 'l' selection = chain 'm' selection = chain 'n' selection = chain 'o' selection = chain 'p' selection = chain 'q' selection = chain 'r' selection = chain 's' selection = chain 't' selection = chain 'u' selection = chain 'v' selection = chain 'w' selection = chain 'x' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as individual isotropic Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 5.360 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.000 Construct map_model_manager: 0.090 Extract box with map and model: 22.650 Check model and map are aligned: 1.040 Set scattering table: 0.570 Process input model: 182.610 Find NCS groups from input model: 4.790 Set up NCS constraints: 1.130 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.010 Load rotamer database and sin/cos tables:2.420 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 220.670 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5930 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.002 0.038 92820 Z= 0.155 Angle : 0.563 9.482 125160 Z= 0.305 Chirality : 0.044 0.142 14700 Planarity : 0.004 0.033 15720 Dihedral : 17.850 89.357 34260 Min Nonbonded Distance : 2.278 Molprobity Statistics. All-atom Clashscore : 9.40 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.01 % Favored : 97.99 % Rotamer Outliers : 0.41 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 10.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.28 (0.08), residues: 11940 helix: 0.80 (0.07), residues: 5940 sheet: -1.22 (0.16), residues: 900 loop : -1.14 (0.08), residues: 5100 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23880 Ramachandran restraints generated. 11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23880 Ramachandran restraints generated. 11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2757 residues out of total 9840 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 40 poor density : 2717 time to evaluate : 7.869 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 40 outliers final: 11 residues processed: 2740 average time/residue: 0.7959 time to fit residues: 3834.7552 Evaluate side-chains 1698 residues out of total 9840 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 11 poor density : 1687 time to evaluate : 7.877 Switching outliers to nearest non-outliers outliers start: 11 outliers final: 0 residues processed: 11 average time/residue: 0.6320 time to fit residues: 24.4835 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1200 random chunks: chunk 1013 optimal weight: 9.9990 chunk 909 optimal weight: 5.9990 chunk 504 optimal weight: 0.9990 chunk 310 optimal weight: 0.0980 chunk 613 optimal weight: 1.9990 chunk 485 optimal weight: 5.9990 chunk 940 optimal weight: 8.9990 chunk 363 optimal weight: 6.9990 chunk 571 optimal weight: 0.9980 chunk 700 optimal weight: 6.9990 chunk 1089 optimal weight: 5.9990 overall best weight: 2.0186 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: I 94 GLN I 169 ASN K 94 GLN Y 94 GLN 1 94 GLN 5 94 GLN ** b 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** d 94 GLN Total number of N/Q/H flips: 7 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7231 moved from start: 0.5515 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 0.106 92820 Z= 0.386 Angle : 0.822 16.492 125160 Z= 0.424 Chirality : 0.053 0.263 14700 Planarity : 0.006 0.066 15720 Dihedral : 5.672 34.024 12240 Min Nonbonded Distance : 2.065 Molprobity Statistics. All-atom Clashscore : 14.18 Ramachandran Plot: Outliers : 0.15 % Allowed : 4.18 % Favored : 95.67 % Rotamer Outliers : 8.62 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 10.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.05 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.34 (0.08), residues: 11940 helix: 0.28 (0.07), residues: 6060 sheet: -1.84 (0.12), residues: 1800 loop : -2.14 (0.09), residues: 4080 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23880 Ramachandran restraints generated. 11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23880 Ramachandran restraints generated. 11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2615 residues out of total 9840 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 848 poor density : 1767 time to evaluate : 7.942 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 848 outliers final: 395 residues processed: 2361 average time/residue: 0.8111 time to fit residues: 3408.8697 Evaluate side-chains 1905 residues out of total 9840 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 395 poor density : 1510 time to evaluate : 8.302 Switching outliers to nearest non-outliers outliers start: 395 outliers final: 0 residues processed: 395 average time/residue: 0.6727 time to fit residues: 524.6327 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1200 random chunks: chunk 605 optimal weight: 0.6980 chunk 338 optimal weight: 5.9990 chunk 906 optimal weight: 7.9990 chunk 742 optimal weight: 0.9980 chunk 300 optimal weight: 5.9990 chunk 1091 optimal weight: 5.9990 chunk 1179 optimal weight: 1.9990 chunk 972 optimal weight: 2.9990 chunk 1082 optimal weight: 0.8980 chunk 372 optimal weight: 0.4980 chunk 875 optimal weight: 0.7980 overall best weight: 0.7780 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: F 29 HIS J 56 HIS ** O 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 169 ASN ** Q 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** T 56 HIS ** X 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** X 169 ASN 1 169 ASN 2 56 HIS 3 29 HIS ** 4 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 4 169 ASN 9 56 HIS a 29 HIS d 169 ASN q 56 HIS ** s 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** u 56 HIS ** w 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 14 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7235 moved from start: 0.5995 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.070 92820 Z= 0.212 Angle : 0.590 11.019 125160 Z= 0.298 Chirality : 0.047 0.202 14700 Planarity : 0.005 0.060 15720 Dihedral : 4.789 26.047 12240 Min Nonbonded Distance : 2.144 Molprobity Statistics. All-atom Clashscore : 11.93 Ramachandran Plot: Outliers : 0.00 % Allowed : 2.58 % Favored : 97.42 % Rotamer Outliers : 3.65 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 10.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.67 (0.08), residues: 11940 helix: 0.95 (0.07), residues: 6060 sheet: -1.77 (0.12), residues: 1800 loop : -1.89 (0.09), residues: 4080 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23880 Ramachandran restraints generated. 11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23880 Ramachandran restraints generated. 11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1981 residues out of total 9840 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 359 poor density : 1622 time to evaluate : 8.132 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 359 outliers final: 159 residues processed: 1834 average time/residue: 0.7799 time to fit residues: 2535.1234 Evaluate side-chains 1599 residues out of total 9840 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 159 poor density : 1440 time to evaluate : 7.932 Switching outliers to nearest non-outliers outliers start: 159 outliers final: 0 residues processed: 159 average time/residue: 0.6492 time to fit residues: 208.8503 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1200 random chunks: chunk 1078 optimal weight: 4.9990 chunk 820 optimal weight: 7.9990 chunk 566 optimal weight: 6.9990 chunk 120 optimal weight: 7.9990 chunk 521 optimal weight: 0.5980 chunk 733 optimal weight: 2.9990 chunk 1095 optimal weight: 0.3980 chunk 1159 optimal weight: 0.4980 chunk 572 optimal weight: 2.9990 chunk 1038 optimal weight: 5.9990 chunk 312 optimal weight: 0.7980 overall best weight: 1.0582 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** H 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** R 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** X 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 0 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 4 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 110 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 0 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7349 moved from start: 0.6691 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.052 92820 Z= 0.220 Angle : 0.575 9.219 125160 Z= 0.291 Chirality : 0.047 0.193 14700 Planarity : 0.005 0.051 15720 Dihedral : 4.653 32.958 12240 Min Nonbonded Distance : 2.118 Molprobity Statistics. All-atom Clashscore : 11.99 Ramachandran Plot: Outliers : 0.00 % Allowed : 3.90 % Favored : 96.10 % Rotamer Outliers : 3.66 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 10.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.01 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.06 (0.08), residues: 11940 helix: 1.42 (0.07), residues: 5700 sheet: -1.62 (0.12), residues: 1740 loop : -1.25 (0.09), residues: 4500 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 23880 Ramachandran restraints generated. 11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 23880 Ramachandran restraints generated. 11940 Oldfield, 0 Emsley, 11940 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1896 residues out of total 9840 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 360 poor density : 1536 time to evaluate : 7.984 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 360 outliers final: 148 residues processed: 1781 average time/residue: 0.7865 time to fit residues: 2486.0874 Evaluate side-chains 1574 residues out of total 9840 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 148 poor density : 1426 time to evaluate : 7.862 Switching outliers to nearest non-outliers outliers start: 148 outliers final: 0 residues processed: 148 average time/residue: 0.6555 time to fit residues: 199.3614 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1200 random chunks: chunk 966 optimal weight: 10.0000 chunk 658 optimal weight: 6.9990 chunk 16 optimal weight: 0.6980 chunk 863 optimal weight: 6.9990 chunk 478 optimal weight: 5.9990 chunk 989 optimal weight: 0.9990 chunk 801 optimal weight: 2.9990 chunk 1 optimal weight: 0.9980 chunk 592 optimal weight: 0.9990 chunk 1041 optimal weight: 6.9990 chunk 292 optimal weight: 2.9990 overall best weight: 1.3386 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Sorry: Reduce crashed with command 'molprobity.reduce -quiet -trim -'. Dumping stdin to file 'reduce_failure.pdb'. Return code: -15 Dumping stderr: