Starting phenix.real_space_refine on Sun Feb 18 17:23:20 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6vlr_21232/02_2024/6vlr_21232.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6vlr_21232/02_2024/6vlr_21232.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=4.42 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6vlr_21232/02_2024/6vlr_21232.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6vlr_21232/02_2024/6vlr_21232.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6vlr_21232/02_2024/6vlr_21232.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6vlr_21232/02_2024/6vlr_21232.pdb" } resolution = 4.42 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } 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 Origin is already at (0, 0, 0), no shifts will be applied ------------------------------------------------------------------------------- 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= 0.006 sd= 0.139 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 125 5.16 5 C 13656 2.51 5 N 3630 2.21 5 O 4357 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "A PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 173": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 177": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 288": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 353": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 361": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 376": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 391": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A TYR 486": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 638": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 53": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 173": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 177": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 210": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 353": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 361": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 376": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 391": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 484": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 486": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "J TYR 638": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 53": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 91": "OE1" <-> "OE2" Residue "G PHE 159": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 173": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 177": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 210": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 217": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G GLU 269": "OE1" <-> "OE2" Residue "G PHE 288": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 353": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 361": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 376": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 391": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 484": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 486": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I TYR 638": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C PHE 100": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "C TYR 100": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 6": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "L PHE 67": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D GLU 16": "OE1" <-> "OE2" Residue "D TYR 50": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 91": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 100": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 6": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K PHE 67": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 79": "OE1" <-> "OE2" Residue "K TYR 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E TYR 50": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 6": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 49": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 67": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M GLU 83": "OE1" <-> "OE2" Residue "M TYR 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M PHE 98": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 27": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 29": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 59": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F PHE 63": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 62": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 71": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N TYR 87": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 94": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N PHE 98": "CD1" <-> "CD2" "CE1" <-> "CE2" Time to flip residues: 0.09s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5238/modules/chem_data/mon_lib" Total number of atoms: 21768 Number of models: 1 Model: "" Number of chains: 37 Chain: "A" Number of atoms: 3393 Number of conformers: 1 Conformer: "" Number of residues, atoms: 430, 3393 Classifications: {'peptide': 430} Link IDs: {'PTRANS': 22, 'TRANS': 407} Chain breaks: 5 Chain: "B" Number of atoms: 1014 Number of conformers: 1 Conformer: "" Number of residues, atoms: 128, 1014 Classifications: {'peptide': 128} Link IDs: {'PTRANS': 1, 'TRANS': 126} Chain breaks: 1 Chain: "H" Number of atoms: 3393 Number of conformers: 1 Conformer: "" Number of residues, atoms: 430, 3393 Classifications: {'peptide': 430} Link IDs: {'PTRANS': 22, 'TRANS': 407} Chain breaks: 5 Chain: "J" Number of atoms: 971 Number of conformers: 1 Conformer: "" Number of residues, atoms: 122, 971 Classifications: {'peptide': 122} Link IDs: {'PTRANS': 1, 'TRANS': 120} Chain breaks: 1 Chain: "G" Number of atoms: 3393 Number of conformers: 1 Conformer: "" Number of residues, atoms: 430, 3393 Classifications: {'peptide': 430} Link IDs: {'PTRANS': 22, 'TRANS': 407} Chain breaks: 5 Chain: "I" Number of atoms: 971 Number of conformers: 1 Conformer: "" Number of residues, atoms: 122, 971 Classifications: {'peptide': 122} Link IDs: {'PTRANS': 1, 'TRANS': 120} Chain breaks: 1 Chain: "C" Number of atoms: 1047 Number of conformers: 1 Conformer: "" Number of residues, atoms: 132, 1047 Classifications: {'peptide': 132} Link IDs: {'PTRANS': 5, 'TRANS': 126} Chain: "L" Number of atoms: 811 Number of conformers: 1 Conformer: "" Number of residues, atoms: 106, 811 Classifications: {'peptide': 106} Link IDs: {'PTRANS': 7, 'TRANS': 98} Chain: "D" Number of atoms: 1047 Number of conformers: 1 Conformer: "" Number of residues, atoms: 132, 1047 Classifications: {'peptide': 132} Link IDs: {'PTRANS': 5, 'TRANS': 126} Chain: "K" Number of atoms: 811 Number of conformers: 1 Conformer: "" Number of residues, atoms: 106, 811 Classifications: {'peptide': 106} Link IDs: {'PTRANS': 7, 'TRANS': 98} Chain: "E" Number of atoms: 1047 Number of conformers: 1 Conformer: "" Number of residues, atoms: 132, 1047 Classifications: {'peptide': 132} Link IDs: {'PTRANS': 5, 'TRANS': 126} Chain: "M" Number of atoms: 811 Number of conformers: 1 Conformer: "" Number of residues, atoms: 106, 811 Classifications: {'peptide': 106} Link IDs: {'PTRANS': 7, 'TRANS': 98} Chain: "F" Number of atoms: 978 Number of conformers: 1 Conformer: "" Number of residues, atoms: 123, 978 Classifications: {'peptide': 123} Modifications used: {'COO': 1} Link IDs: {'PTRANS': 6, 'TRANS': 116} Chain: "N" Number of atoms: 871 Number of conformers: 1 Conformer: "" Number of residues, atoms: 112, 871 Classifications: {'peptide': 112} Modifications used: {'COO': 1} Link IDs: {'PCIS': 2, 'PTRANS': 7, 'TRANS': 102} Chain: "O" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 28 Unusual residues: {'NAG': 2} Classifications: {'undetermined': 2} Link IDs: {None: 1} Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 6 Unresolved non-hydrogen chiralities: 2 Chain: "P" Number of atoms: 29 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 29 Unusual residues: {'NAG': 2} Classifications: {'undetermined': 2} Link IDs: {None: 1} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen dihedrals: 3 Unresolved non-hydrogen chiralities: 1 Chain: "Q" Number of atoms: 61 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 61 Unusual residues: {'BMA': 1, 'MAN': 2, 'NAG': 2} Classifications: {'undetermined': 5} Link IDs: {None: 4} Unresolved non-hydrogen bonds: 5 Unresolved non-hydrogen angles: 10 Unresolved non-hydrogen dihedrals: 15 Unresolved non-hydrogen chiralities: 5 Chain: "R" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 28 Unusual residues: {'NAG': 2} Classifications: {'undetermined': 2} Link IDs: {None: 1} Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 6 Unresolved non-hydrogen chiralities: 2 Chain: "S" Number of atoms: 39 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 39 Unusual residues: {'BMA': 1, 'NAG': 2} Classifications: {'undetermined': 3} Link IDs: {None: 2} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 6 Unresolved non-hydrogen dihedrals: 9 Unresolved non-hydrogen chiralities: 3 Chain: "T" Number of atoms: 72 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 72 Unusual residues: {'BMA': 1, 'MAN': 3, 'NAG': 2} Classifications: {'undetermined': 6} Link IDs: {None: 5} Unresolved non-hydrogen bonds: 6 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 18 Unresolved non-hydrogen chiralities: 6 Chain: "U" Number of atoms: 61 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 61 Unusual residues: {'BMA': 1, 'MAN': 2, 'NAG': 2} Classifications: {'undetermined': 5} Link IDs: {None: 4} Unresolved non-hydrogen bonds: 5 Unresolved non-hydrogen angles: 10 Unresolved non-hydrogen dihedrals: 15 Unresolved non-hydrogen chiralities: 5 Chain: "V" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 28 Unusual residues: {'NAG': 2} Classifications: {'undetermined': 2} Link IDs: {None: 1} Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 6 Unresolved non-hydrogen chiralities: 2 Chain: "W" Number of atoms: 29 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 29 Unusual residues: {'NAG': 2} Classifications: {'undetermined': 2} Link IDs: {None: 1} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen dihedrals: 3 Unresolved non-hydrogen chiralities: 1 Chain: "X" Number of atoms: 28 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 28 Unusual residues: {'NAG': 2} Classifications: {'undetermined': 2} Link IDs: {None: 1} Unresolved non-hydrogen bonds: 2 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 6 Unresolved non-hydrogen chiralities: 2 Chain: "Y" Number of atoms: 61 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 61 Unusual residues: {'BMA': 1, 'MAN': 2, 'NAG': 2} Classifications: {'undetermined': 5} Link IDs: {None: 4} Unresolved non-hydrogen bonds: 5 Unresolved non-hydrogen angles: 10 Unresolved non-hydrogen dihedrals: 15 Unresolved non-hydrogen chiralities: 5 Chain: "Z" Number of atoms: 39 Number of conformers: 1 Conformer: "" Number of residues, atoms: 3, 39 Unusual residues: {'BMA': 1, 'NAG': 2} Classifications: {'undetermined': 3} Link IDs: {None: 2} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 6 Unresolved non-hydrogen dihedrals: 9 Unresolved non-hydrogen chiralities: 3 Chain: "a" Number of atoms: 72 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 72 Unusual residues: {'BMA': 1, 'MAN': 3, 'NAG': 2} Classifications: {'undetermined': 6} Link IDs: {None: 5} Unresolved non-hydrogen bonds: 6 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 18 Unresolved non-hydrogen chiralities: 6 Chain: "b" Number of atoms: 50 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 50 Unusual residues: {'BMA': 1, 'MAN': 1, 'NAG': 2} Classifications: {'undetermined': 4} Link IDs: {None: 3} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 8 Unresolved non-hydrogen dihedrals: 12 Unresolved non-hydrogen chiralities: 4 Chain: "c" Number of atoms: 29 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 29 Unusual residues: {'NAG': 2} Classifications: {'undetermined': 2} Link IDs: {None: 1} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen dihedrals: 3 Unresolved non-hydrogen chiralities: 1 Chain: "d" Number of atoms: 29 Number of conformers: 1 Conformer: "" Number of residues, atoms: 2, 29 Unusual residues: {'NAG': 2} Classifications: {'undetermined': 2} Link IDs: {None: 1} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen dihedrals: 3 Unresolved non-hydrogen chiralities: 1 Chain: "e" Number of atoms: 62 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 62 Unusual residues: {'BMA': 1, 'MAN': 2, 'NAG': 2} Classifications: {'undetermined': 5} Link IDs: {None: 4} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 8 Unresolved non-hydrogen dihedrals: 12 Unresolved non-hydrogen chiralities: 4 Chain: "f" Number of atoms: 72 Number of conformers: 1 Conformer: "" Number of residues, atoms: 6, 72 Unusual residues: {'BMA': 1, 'MAN': 3, 'NAG': 2} Classifications: {'undetermined': 6} Link IDs: {None: 5} Unresolved non-hydrogen bonds: 6 Unresolved non-hydrogen angles: 12 Unresolved non-hydrogen dihedrals: 18 Unresolved non-hydrogen chiralities: 6 Chain: "g" Number of atoms: 50 Number of conformers: 1 Conformer: "" Number of residues, atoms: 4, 50 Unusual residues: {'BMA': 1, 'MAN': 1, 'NAG': 2} Classifications: {'undetermined': 4} Link IDs: {None: 3} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 8 Unresolved non-hydrogen dihedrals: 12 Unresolved non-hydrogen chiralities: 4 Chain: "A" Number of atoms: 72 Number of conformers: 1 Conformer: "" Number of residues, atoms: 5, 72 Unusual residues: {'NAG': 5} Classifications: {'undetermined': 5} Link IDs: {None: 4} Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 6 Unresolved non-hydrogen dihedrals: 9 Unresolved non-hydrogen chiralities: 3 Chain: "H" Number of atoms: 115 Number of conformers: 1 Conformer: "" Number of residues, atoms: 8, 115 Unusual residues: {'NAG': 8} Classifications: {'undetermined': 8} Link IDs: {None: 7} Unresolved non-hydrogen bonds: 5 Unresolved non-hydrogen angles: 10 Unresolved non-hydrogen dihedrals: 15 Unresolved non-hydrogen chiralities: 5 Chain: "G" Number of atoms: 142 Number of conformers: 1 Conformer: "" Number of residues, atoms: 10, 142 Unusual residues: {'NAG': 10} Classifications: {'undetermined': 10} Link IDs: {None: 9} Unresolved non-hydrogen bonds: 8 Unresolved non-hydrogen angles: 16 Unresolved non-hydrogen dihedrals: 24 Unresolved non-hydrogen chiralities: 8 Chain: "I" Number of atoms: 14 Number of conformers: 1 Conformer: "" Number of residues, atoms: 1, 14 Unusual residues: {'NAG': 1} Classifications: {'undetermined': 1} Unresolved non-hydrogen bonds: 1 Unresolved non-hydrogen angles: 2 Unresolved non-hydrogen dihedrals: 3 Unresolved non-hydrogen chiralities: 1 Time building chain proxies: 13.01, per 1000 atoms: 0.60 Number of scatterers: 21768 At special positions: 0 Unit cell: (155.25, 156.4, 184, 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 125 16.00 O 4357 8.00 N 3630 7.00 C 13656 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=41, symmetry=0 Simple disulfide: pdb=" SG CYS A 54 " - pdb=" SG CYS A 74 " distance=2.06 Simple disulfide: pdb=" SG CYS A 119 " - pdb=" SG CYS A 205 " distance=2.11 Simple disulfide: pdb=" SG CYS A 126 " - pdb=" SG CYS A 196 " distance=2.04 Simple disulfide: pdb=" SG CYS A 131 " - pdb=" SG CYS A 157 " distance=2.05 Simple disulfide: pdb=" SG CYS A 218 " - pdb=" SG CYS A 247 " distance=2.03 Simple disulfide: pdb=" SG CYS A 228 " - pdb=" SG CYS A 239 " distance=2.04 Simple disulfide: pdb=" SG CYS A 296 " - pdb=" SG CYS A 331 " distance=2.02 Simple disulfide: pdb=" SG CYS A 378 " - pdb=" SG CYS A 445 " distance=2.02 Simple disulfide: pdb=" SG CYS A 385 " - pdb=" SG CYS A 418 " distance=2.03 Simple disulfide: pdb=" SG CYS A 501 " - pdb=" SG CYS B 605 " distance=2.04 Simple disulfide: pdb=" SG CYS B 598 " - pdb=" SG CYS B 604 " distance=2.03 Simple disulfide: pdb=" SG CYS H 54 " - pdb=" SG CYS H 74 " distance=2.10 Simple disulfide: pdb=" SG CYS H 119 " - pdb=" SG CYS H 205 " distance=2.07 Simple disulfide: pdb=" SG CYS H 126 " - pdb=" SG CYS H 196 " distance=2.08 Simple disulfide: pdb=" SG CYS H 131 " - pdb=" SG CYS H 157 " distance=2.05 Simple disulfide: pdb=" SG CYS H 218 " - pdb=" SG CYS H 247 " distance=2.03 Simple disulfide: pdb=" SG CYS H 228 " - pdb=" SG CYS H 239 " distance=2.04 Simple disulfide: pdb=" SG CYS H 296 " - pdb=" SG CYS H 331 " distance=2.03 Simple disulfide: pdb=" SG CYS H 378 " - pdb=" SG CYS H 445 " distance=2.02 Simple disulfide: pdb=" SG CYS H 385 " - pdb=" SG CYS H 418 " distance=2.04 Simple disulfide: pdb=" SG CYS H 501 " - pdb=" SG CYS J 605 " distance=2.05 Simple disulfide: pdb=" SG CYS J 598 " - pdb=" SG CYS J 604 " distance=2.03 Simple disulfide: pdb=" SG CYS G 54 " - pdb=" SG CYS G 74 " distance=2.06 Simple disulfide: pdb=" SG CYS G 119 " - pdb=" SG CYS G 205 " distance=2.08 Simple disulfide: pdb=" SG CYS G 126 " - pdb=" SG CYS G 196 " distance=2.04 Simple disulfide: pdb=" SG CYS G 131 " - pdb=" SG CYS G 157 " distance=2.04 Simple disulfide: pdb=" SG CYS G 218 " - pdb=" SG CYS G 247 " distance=2.03 Simple disulfide: pdb=" SG CYS G 228 " - pdb=" SG CYS G 239 " distance=2.07 Simple disulfide: pdb=" SG CYS G 296 " - pdb=" SG CYS G 331 " distance=2.05 Simple disulfide: pdb=" SG CYS G 378 " - pdb=" SG CYS G 445 " distance=2.09 Simple disulfide: pdb=" SG CYS G 385 " - pdb=" SG CYS G 418 " distance=2.02 Simple disulfide: pdb=" SG CYS G 501 " - pdb=" SG CYS I 605 " distance=2.04 Simple disulfide: pdb=" SG CYS I 598 " - pdb=" SG CYS I 604 " distance=2.03 Simple disulfide: pdb=" SG CYS C 22 " - pdb=" SG CYS C 92 " distance=2.03 Simple disulfide: pdb=" SG CYS L 23 " - pdb=" SG CYS L 88 " distance=2.03 Simple disulfide: pdb=" SG CYS D 22 " - pdb=" SG CYS D 92 " distance=2.04 Simple disulfide: pdb=" SG CYS K 23 " - pdb=" SG CYS K 88 " distance=2.03 Simple disulfide: pdb=" SG CYS E 22 " - pdb=" SG CYS E 92 " distance=2.03 Simple disulfide: pdb=" SG CYS M 23 " - pdb=" SG CYS M 88 " distance=2.02 Simple disulfide: pdb=" SG CYS F 22 " - pdb=" SG CYS F 92 " distance=2.02 Simple disulfide: pdb=" SG CYS N 23 " - pdb=" SG CYS N 88 " distance=2.04 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 Links applied ALPHA1-2 " MAN T 4 " - " MAN T 5 " " MAN U 4 " - " MAN U 5 " " MAN a 4 " - " MAN a 5 " " MAN f 4 " - " MAN f 5 " ALPHA1-3 " BMA Q 3 " - " MAN Q 4 " " BMA T 3 " - " MAN T 4 " " BMA U 3 " - " MAN U 4 " " BMA Y 3 " - " MAN Y 4 " " BMA a 3 " - " MAN a 4 " " BMA b 3 " - " MAN b 4 " " BMA e 3 " - " MAN e 4 " " BMA f 3 " - " MAN f 4 " " BMA g 3 " - " MAN g 4 " ALPHA1-6 " BMA Q 3 " - " MAN Q 5 " " BMA T 3 " - " MAN T 6 " " BMA Y 3 " - " MAN Y 5 " " BMA a 3 " - " MAN a 6 " " BMA e 3 " - " MAN e 5 " " BMA f 3 " - " MAN f 6 " BETA1-4 " NAG O 1 " - " NAG O 2 " " NAG P 1 " - " NAG P 2 " " NAG Q 1 " - " NAG Q 2 " " NAG Q 2 " - " BMA Q 3 " " NAG R 1 " - " NAG R 2 " " NAG S 1 " - " NAG S 2 " " NAG S 2 " - " BMA S 3 " " NAG T 1 " - " NAG T 2 " " NAG T 2 " - " BMA T 3 " " NAG U 1 " - " NAG U 2 " " NAG U 2 " - " BMA U 3 " " NAG V 1 " - " NAG V 2 " " NAG W 1 " - " NAG W 2 " " NAG X 1 " - " NAG X 2 " " NAG Y 1 " - " NAG Y 2 " " NAG Y 2 " - " BMA Y 3 " " NAG Z 1 " - " NAG Z 2 " " NAG Z 2 " - " BMA Z 3 " " NAG a 1 " - " NAG a 2 " " NAG a 2 " - " BMA a 3 " " NAG b 1 " - " NAG b 2 " " NAG b 2 " - " BMA b 3 " " NAG c 1 " - " NAG c 2 " " NAG d 1 " - " NAG d 2 " " NAG e 1 " - " NAG e 2 " " NAG e 2 " - " BMA e 3 " " NAG f 1 " - " NAG f 2 " " NAG f 2 " - " BMA f 3 " " NAG g 1 " - " NAG g 2 " " NAG g 2 " - " BMA g 3 " NAG-ASN " NAG A 603 " - " ASN A 448 " " NAG A 631 " - " ASN A 392 " " NAG A 632 " - " ASN A 133 " " NAG G 601 " - " ASN G 88 " " NAG G 602 " - " ASN G 448 " " NAG G 603 " - " ASN G 295 " " NAG G 609 " - " ASN G 234 " " NAG G 611 " - " ASN G 301 " " NAG G 623 " - " ASN G 197 " " NAG G 624 " - " ASN G 133 " " NAG G 625 " - " ASN G 156 " " NAG H 601 " - " ASN H 88 " " NAG H 602 " - " ASN H 448 " " NAG H 612 " - " ASN H 301 " " NAG H 629 " - " ASN H 392 " " NAG H 630 " - " ASN H 386 " " NAG I 701 " - " ASN I 637 " " NAG O 1 " - " ASN A 88 " " NAG Q 1 " - " ASN A 262 " " NAG R 1 " - " ASN A 301 " " NAG S 1 " - " ASN A 156 " " NAG T 1 " - " ASN A 332 " " NAG U 1 " - " ASN A 137 " " NAG V 1 " - " ASN A 386 " " NAG X 1 " - " ASN H 295 " " NAG Y 1 " - " ASN H 262 " " NAG Z 1 " - " ASN H 156 " " NAG a 1 " - " ASN H 332 " " NAG b 1 " - " ASN H 137 " " NAG f 1 " - " ASN G 332 " " NAG g 1 " - " ASN G 137 " Time building additional restraints: 10.15 Conformation dependent library (CDL) restraints added in 4.0 seconds 5094 Ramachandran restraints generated. 2547 Oldfield, 0 Emsley, 2547 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 4838 Finding SS restraints... Secondary structure from input PDB file: 56 helices and 201 sheets defined 19.5% alpha, 363.0% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 8.60 Creating SS restraints... Processing helix chain 'A' and resid 98 through 116 removed outlier: 3.656A pdb=" N GLU A 102 " --> pdb=" O ASN A 98 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N LEU A 116 " --> pdb=" O TRP A 112 " (cutoff:3.500A) Processing helix chain 'A' and resid 122 through 126 Processing helix chain 'A' and resid 335 through 350 Processing helix chain 'A' and resid 351 through 353 No H-bonds generated for 'chain 'A' and resid 351 through 353' Processing helix chain 'A' and resid 368 through 373 Processing helix chain 'A' and resid 387 through 391 Processing helix chain 'A' and resid 474 through 478 Processing helix chain 'A' and resid 479 through 484 Processing helix chain 'B' and resid 529 through 534 Processing helix chain 'B' and resid 536 through 542 Processing helix chain 'B' and resid 572 through 596 Processing helix chain 'B' and resid 618 through 626 removed outlier: 4.243A pdb=" N ASP B 624 " --> pdb=" O SER B 620 " (cutoff:3.500A) removed outlier: 3.739A pdb=" N MET B 626 " --> pdb=" O ILE B 622 " (cutoff:3.500A) Processing helix chain 'B' and resid 627 through 635 Processing helix chain 'B' and resid 638 through 662 Processing helix chain 'H' and resid 98 through 117 removed outlier: 3.579A pdb=" N GLU H 102 " --> pdb=" O ASN H 98 " (cutoff:3.500A) removed outlier: 3.678A pdb=" N LEU H 116 " --> pdb=" O TRP H 112 " (cutoff:3.500A) removed outlier: 3.637A pdb=" N LYS H 117 " --> pdb=" O ASP H 113 " (cutoff:3.500A) Processing helix chain 'H' and resid 122 through 126 Processing helix chain 'H' and resid 335 through 350 Processing helix chain 'H' and resid 351 through 353 No H-bonds generated for 'chain 'H' and resid 351 through 353' Processing helix chain 'H' and resid 368 through 373 Processing helix chain 'H' and resid 387 through 391 Processing helix chain 'H' and resid 476 through 484 removed outlier: 4.034A pdb=" N SER H 481 " --> pdb=" O ASP H 477 " (cutoff:3.500A) removed outlier: 5.028A pdb=" N GLU H 482 " --> pdb=" O ASN H 478 " (cutoff:3.500A) Processing helix chain 'J' and resid 523 through 528 removed outlier: 4.465A pdb=" N GLY J 527 " --> pdb=" O GLY J 524 " (cutoff:3.500A) Processing helix chain 'J' and resid 529 through 534 Processing helix chain 'J' and resid 536 through 542 Processing helix chain 'J' and resid 572 through 596 removed outlier: 4.061A pdb=" N LEU J 576 " --> pdb=" O GLY J 572 " (cutoff:3.500A) Processing helix chain 'J' and resid 618 through 626 removed outlier: 3.715A pdb=" N MET J 626 " --> pdb=" O ILE J 622 " (cutoff:3.500A) Processing helix chain 'J' and resid 627 through 635 Processing helix chain 'J' and resid 638 through 662 Processing helix chain 'G' and resid 99 through 117 removed outlier: 3.602A pdb=" N LEU G 116 " --> pdb=" O TRP G 112 " (cutoff:3.500A) Processing helix chain 'G' and resid 122 through 126 Processing helix chain 'G' and resid 335 through 350 Processing helix chain 'G' and resid 351 through 353 No H-bonds generated for 'chain 'G' and resid 351 through 353' Processing helix chain 'G' and resid 368 through 373 Processing helix chain 'G' and resid 387 through 391 Processing helix chain 'G' and resid 474 through 478 Processing helix chain 'G' and resid 479 through 484 Processing helix chain 'I' and resid 523 through 528 removed outlier: 4.378A pdb=" N GLY I 527 " --> pdb=" O GLY I 524 " (cutoff:3.500A) Processing helix chain 'I' and resid 529 through 534 Processing helix chain 'I' and resid 536 through 542 Processing helix chain 'I' and resid 571 through 596 Processing helix chain 'I' and resid 618 through 626 removed outlier: 3.690A pdb=" N MET I 626 " --> pdb=" O ILE I 622 " (cutoff:3.500A) Processing helix chain 'I' and resid 627 through 635 Processing helix chain 'I' and resid 638 through 662 Processing helix chain 'C' and resid 28 through 32 Processing helix chain 'C' and resid 63 through 65 No H-bonds generated for 'chain 'C' and resid 63 through 65' Processing helix chain 'C' and resid 83 through 87 Processing helix chain 'L' and resid 79 through 83 Processing helix chain 'D' and resid 83 through 87 Processing helix chain 'K' and resid 79 through 83 Processing helix chain 'E' and resid 28 through 32 Processing helix chain 'E' and resid 63 through 65 No H-bonds generated for 'chain 'E' and resid 63 through 65' Processing helix chain 'E' and resid 83 through 87 Processing helix chain 'M' and resid 79 through 83 Processing helix chain 'F' and resid 72 through 75 Processing helix chain 'F' and resid 83 through 87 Processing helix chain 'N' and resid 79 through 83 Processing sheet with id=AA1, first strand: chain 'A' and resid 494 through 498 Processing sheet with id=AA2, first strand: chain 'A' and resid 45 through 47 Processing sheet with id=AA3, first strand: chain 'A' and resid 75 through 76 Processing sheet with id=AA4, first strand: chain 'A' and resid 91 through 94 Processing sheet with id=AA5, first strand: chain 'A' and resid 169 through 177 Processing sheet with id=AA6, first strand: chain 'A' and resid 200 through 203 removed outlier: 6.092A pdb=" N ALA A 200 " --> pdb=" O ALA A 433 " (cutoff:3.500A) removed outlier: 7.101A pdb=" N TYR A 435 " --> pdb=" O ALA A 200 " (cutoff:3.500A) removed outlier: 6.577A pdb=" N THR A 202 " --> pdb=" O TYR A 435 " (cutoff:3.500A) Processing sheet with id=AA7, first strand: chain 'A' and resid 259 through 260 removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) Processing sheet with id=AA8, first strand: chain 'A' and resid 259 through 260 removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN A 301 " --> pdb=" O ILE A 323 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N ILE A 323 " --> pdb=" O ASN A 301 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N THR A 303 " --> pdb=" O GLY A 321 " (cutoff:3.500A) removed outlier: 6.556A pdb=" N GLN A 315 " --> pdb=" O ILE A 309 " (cutoff:3.500A) Processing sheet with id=AA9, first strand: chain 'A' and resid 259 through 260 removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) Processing sheet with id=AB1, first strand: chain 'A' and resid 259 through 260 removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) Processing sheet with id=AB2, first strand: chain 'A' and resid 271 through 274 removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) Processing sheet with id=AB3, first strand: chain 'A' and resid 271 through 274 removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) Processing sheet with id=AB4, first strand: chain 'A' and resid 271 through 274 removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) Processing sheet with id=AB5, first strand: chain 'A' and resid 315 through 323A removed outlier: 6.556A pdb=" N GLN A 315 " --> pdb=" O ILE A 309 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N THR A 303 " --> pdb=" O GLY A 321 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N ILE A 323 " --> pdb=" O ASN A 301 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN A 301 " --> pdb=" O ILE A 323 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) Processing sheet with id=AB6, first strand: chain 'A' and resid 315 through 323A removed outlier: 6.556A pdb=" N GLN A 315 " --> pdb=" O ILE A 309 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N THR A 303 " --> pdb=" O GLY A 321 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N ILE A 323 " --> pdb=" O ASN A 301 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN A 301 " --> pdb=" O ILE A 323 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) Processing sheet with id=AB7, first strand: chain 'A' and resid 315 through 323A removed outlier: 6.556A pdb=" N GLN A 315 " --> pdb=" O ILE A 309 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N THR A 303 " --> pdb=" O GLY A 321 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N ILE A 323 " --> pdb=" O ASN A 301 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN A 301 " --> pdb=" O ILE A 323 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) Processing sheet with id=AB8, first strand: chain 'A' and resid 374 through 378 removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) Processing sheet with id=AB9, first strand: chain 'A' and resid 374 through 378 removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN A 301 " --> pdb=" O ILE A 323 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N ILE A 323 " --> pdb=" O ASN A 301 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N THR A 303 " --> pdb=" O GLY A 321 " (cutoff:3.500A) removed outlier: 6.556A pdb=" N GLN A 315 " --> pdb=" O ILE A 309 " (cutoff:3.500A) Processing sheet with id=AC1, first strand: chain 'A' and resid 374 through 378 removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) Processing sheet with id=AC2, first strand: chain 'A' and resid 374 through 378 removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) Processing sheet with id=AC3, first strand: chain 'A' and resid 393 through 395 removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) Processing sheet with id=AC4, first strand: chain 'A' and resid 393 through 395 removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) Processing sheet with id=AC5, first strand: chain 'A' and resid 393 through 395 removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN A 301 " --> pdb=" O ILE A 323 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N ILE A 323 " --> pdb=" O ASN A 301 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N THR A 303 " --> pdb=" O GLY A 321 " (cutoff:3.500A) removed outlier: 6.556A pdb=" N GLN A 315 " --> pdb=" O ILE A 309 " (cutoff:3.500A) Processing sheet with id=AC6, first strand: chain 'A' and resid 393 through 395 removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) Processing sheet with id=AC7, first strand: chain 'A' and resid 259 through 260 removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) Processing sheet with id=AC8, first strand: chain 'A' and resid 259 through 260 removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN A 301 " --> pdb=" O ILE A 323 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N ILE A 323 " --> pdb=" O ASN A 301 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N THR A 303 " --> pdb=" O GLY A 321 " (cutoff:3.500A) removed outlier: 6.556A pdb=" N GLN A 315 " --> pdb=" O ILE A 309 " (cutoff:3.500A) Processing sheet with id=AC9, first strand: chain 'A' and resid 259 through 260 removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) Processing sheet with id=AD1, first strand: chain 'A' and resid 259 through 260 removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) Processing sheet with id=AD2, first strand: chain 'A' and resid 271 through 274 removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) Processing sheet with id=AD3, first strand: chain 'A' and resid 271 through 274 removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) Processing sheet with id=AD4, first strand: chain 'A' and resid 271 through 274 removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) Processing sheet with id=AD5, first strand: chain 'A' and resid 315 through 323A removed outlier: 6.556A pdb=" N GLN A 315 " --> pdb=" O ILE A 309 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N THR A 303 " --> pdb=" O GLY A 321 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N ILE A 323 " --> pdb=" O ASN A 301 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN A 301 " --> pdb=" O ILE A 323 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) Processing sheet with id=AD6, first strand: chain 'A' and resid 315 through 323A removed outlier: 6.556A pdb=" N GLN A 315 " --> pdb=" O ILE A 309 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N THR A 303 " --> pdb=" O GLY A 321 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N ILE A 323 " --> pdb=" O ASN A 301 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN A 301 " --> pdb=" O ILE A 323 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) Processing sheet with id=AD7, first strand: chain 'A' and resid 315 through 323A removed outlier: 6.556A pdb=" N GLN A 315 " --> pdb=" O ILE A 309 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N THR A 303 " --> pdb=" O GLY A 321 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N ILE A 323 " --> pdb=" O ASN A 301 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN A 301 " --> pdb=" O ILE A 323 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) Processing sheet with id=AD8, first strand: chain 'A' and resid 374 through 378 removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) Processing sheet with id=AD9, first strand: chain 'A' and resid 374 through 378 removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN A 301 " --> pdb=" O ILE A 323 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N ILE A 323 " --> pdb=" O ASN A 301 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N THR A 303 " --> pdb=" O GLY A 321 " (cutoff:3.500A) removed outlier: 6.556A pdb=" N GLN A 315 " --> pdb=" O ILE A 309 " (cutoff:3.500A) Processing sheet with id=AE1, first strand: chain 'A' and resid 374 through 378 removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) Processing sheet with id=AE2, first strand: chain 'A' and resid 374 through 378 removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) Processing sheet with id=AE3, first strand: chain 'A' and resid 393 through 395 removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) Processing sheet with id=AE4, first strand: chain 'A' and resid 393 through 395 removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) Processing sheet with id=AE5, first strand: chain 'A' and resid 393 through 395 removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN A 301 " --> pdb=" O ILE A 323 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N ILE A 323 " --> pdb=" O ASN A 301 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N THR A 303 " --> pdb=" O GLY A 321 " (cutoff:3.500A) removed outlier: 6.556A pdb=" N GLN A 315 " --> pdb=" O ILE A 309 " (cutoff:3.500A) Processing sheet with id=AE6, first strand: chain 'A' and resid 393 through 395 removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) Processing sheet with id=AE7, first strand: chain 'A' and resid 259 through 260 removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) Processing sheet with id=AE8, first strand: chain 'A' and resid 259 through 260 removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN A 301 " --> pdb=" O ILE A 323 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N ILE A 323 " --> pdb=" O ASN A 301 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N THR A 303 " --> pdb=" O GLY A 321 " (cutoff:3.500A) removed outlier: 6.556A pdb=" N GLN A 315 " --> pdb=" O ILE A 309 " (cutoff:3.500A) Processing sheet with id=AE9, first strand: chain 'A' and resid 259 through 260 removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) Processing sheet with id=AF1, first strand: chain 'A' and resid 259 through 260 removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) Processing sheet with id=AF2, first strand: chain 'A' and resid 271 through 274 removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) Processing sheet with id=AF3, first strand: chain 'A' and resid 271 through 274 removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) Processing sheet with id=AF4, first strand: chain 'A' and resid 271 through 274 removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) Processing sheet with id=AF5, first strand: chain 'A' and resid 315 through 323A removed outlier: 6.556A pdb=" N GLN A 315 " --> pdb=" O ILE A 309 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N THR A 303 " --> pdb=" O GLY A 321 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N ILE A 323 " --> pdb=" O ASN A 301 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN A 301 " --> pdb=" O ILE A 323 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) Processing sheet with id=AF6, first strand: chain 'A' and resid 315 through 323A removed outlier: 6.556A pdb=" N GLN A 315 " --> pdb=" O ILE A 309 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N THR A 303 " --> pdb=" O GLY A 321 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N ILE A 323 " --> pdb=" O ASN A 301 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN A 301 " --> pdb=" O ILE A 323 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) Processing sheet with id=AF7, first strand: chain 'A' and resid 315 through 323A removed outlier: 6.556A pdb=" N GLN A 315 " --> pdb=" O ILE A 309 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N THR A 303 " --> pdb=" O GLY A 321 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N ILE A 323 " --> pdb=" O ASN A 301 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN A 301 " --> pdb=" O ILE A 323 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) Processing sheet with id=AF8, first strand: chain 'A' and resid 374 through 378 removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) Processing sheet with id=AF9, first strand: chain 'A' and resid 374 through 378 removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN A 301 " --> pdb=" O ILE A 323 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N ILE A 323 " --> pdb=" O ASN A 301 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N THR A 303 " --> pdb=" O GLY A 321 " (cutoff:3.500A) removed outlier: 6.556A pdb=" N GLN A 315 " --> pdb=" O ILE A 309 " (cutoff:3.500A) Processing sheet with id=AG1, first strand: chain 'A' and resid 374 through 378 removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) Processing sheet with id=AG2, first strand: chain 'A' and resid 374 through 378 removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) Processing sheet with id=AG3, first strand: chain 'A' and resid 393 through 395 removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) removed outlier: 6.629A pdb=" N LEU A 260 " --> pdb=" O THR A 450 " (cutoff:3.500A) Processing sheet with id=AG4, first strand: chain 'A' and resid 393 through 395 removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) Processing sheet with id=AG5, first strand: chain 'A' and resid 393 through 395 removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 6.754A pdb=" N ASN A 301 " --> pdb=" O ILE A 323 " (cutoff:3.500A) removed outlier: 4.665A pdb=" N ILE A 323 " --> pdb=" O ASN A 301 " (cutoff:3.500A) removed outlier: 6.520A pdb=" N THR A 303 " --> pdb=" O GLY A 321 " (cutoff:3.500A) removed outlier: 6.556A pdb=" N GLN A 315 " --> pdb=" O ILE A 309 " (cutoff:3.500A) Processing sheet with id=AG6, first strand: chain 'A' and resid 393 through 395 removed outlier: 6.416A pdb=" N ILE A 358 " --> pdb=" O GLU A 466 " (cutoff:3.500A) removed outlier: 7.573A pdb=" N PHE A 468 " --> pdb=" O ILE A 358 " (cutoff:3.500A) removed outlier: 6.282A pdb=" N ARG A 360 " --> pdb=" O PHE A 468 " (cutoff:3.500A) removed outlier: 5.234A pdb=" N GLY A 441 " --> pdb=" O ASN A 300 " (cutoff:3.500A) removed outlier: 5.278A pdb=" N ASN A 300 " --> pdb=" O GLY A 441 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N GLY A 451 " --> pdb=" O THR A 290 " (cutoff:3.500A) removed outlier: 10.446A pdb=" N THR A 290 " --> pdb=" O GLY A 451 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N ILE A 453 " --> pdb=" O PHE A 288 " (cutoff:3.500A) removed outlier: 12.042A pdb=" N PHE A 288 " --> pdb=" O ILE A 453 " (cutoff:3.500A) removed outlier: 10.818A pdb=" N THR A 455 " --> pdb=" O VAL A 286 " (cutoff:3.500A) removed outlier: 10.728A pdb=" N VAL A 286 " --> pdb=" O THR A 455 " (cutoff:3.500A) removed outlier: 6.399A pdb=" N GLN A 293 " --> pdb=" O SER A 334 " (cutoff:3.500A) removed outlier: 3.870A pdb=" N ALA A 329 " --> pdb=" O CYS A 418 " (cutoff:3.500A) removed outlier: 3.879A pdb=" N PHE A 382 " --> pdb=" O LYS A 421 " (cutoff:3.500A) Processing sheet with id=AG7, first strand: chain 'H' and resid 494 through 498 Processing sheet with id=AG8, first strand: chain 'H' and resid 45 through 47 Processing sheet with id=AG9, first strand: chain 'H' and resid 75 through 76 Processing sheet with id=AH1, first strand: chain 'H' and resid 91 through 94 Processing sheet with id=AH2, first strand: chain 'H' and resid 169 through 177 Processing sheet with id=AH3, first strand: chain 'H' and resid 200 through 203 removed outlier: 6.218A pdb=" N ALA H 200 " --> pdb=" O ALA H 433 " (cutoff:3.500A) removed outlier: 7.202A pdb=" N TYR H 435 " --> pdb=" O ALA H 200 " (cutoff:3.500A) removed outlier: 6.583A pdb=" N THR H 202 " --> pdb=" O TYR H 435 " (cutoff:3.500A) Processing sheet with id=AH4, first strand: chain 'H' and resid 259 through 260 removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) Processing sheet with id=AH5, first strand: chain 'H' and resid 259 through 260 removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ASN H 301 " --> pdb=" O ILE H 323A" (cutoff:3.500A) removed outlier: 4.054A pdb=" N ASP H 322 " --> pdb=" O THR H 303 " (cutoff:3.500A) removed outlier: 5.683A pdb=" N LYS H 305 " --> pdb=" O THR H 320 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N THR H 320 " --> pdb=" O LYS H 305 " (cutoff:3.500A) removed outlier: 6.967A pdb=" N ILE H 307 " --> pdb=" O TYR H 318 " (cutoff:3.500A) removed outlier: 5.624A pdb=" N TYR H 318 " --> pdb=" O ILE H 307 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N ILE H 309 " --> pdb=" O TRP H 316 " (cutoff:3.500A) removed outlier: 7.219A pdb=" N TRP H 316 " --> pdb=" O ILE H 309 " (cutoff:3.500A) Processing sheet with id=AH6, first strand: chain 'H' and resid 259 through 260 removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) Processing sheet with id=AH7, first strand: chain 'H' and resid 259 through 260 removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) Processing sheet with id=AH8, first strand: chain 'H' and resid 271 through 274 removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) Processing sheet with id=AH9, first strand: chain 'H' and resid 271 through 274 removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) Processing sheet with id=AI1, first strand: chain 'H' and resid 271 through 274 removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) Processing sheet with id=AI2, first strand: chain 'H' and resid 315 through 323A removed outlier: 7.219A pdb=" N TRP H 316 " --> pdb=" O ILE H 309 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N ILE H 309 " --> pdb=" O TRP H 316 " (cutoff:3.500A) removed outlier: 5.624A pdb=" N TYR H 318 " --> pdb=" O ILE H 307 " (cutoff:3.500A) removed outlier: 6.967A pdb=" N ILE H 307 " --> pdb=" O TYR H 318 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N THR H 320 " --> pdb=" O LYS H 305 " (cutoff:3.500A) removed outlier: 5.683A pdb=" N LYS H 305 " --> pdb=" O THR H 320 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N ASP H 322 " --> pdb=" O THR H 303 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ASN H 301 " --> pdb=" O ILE H 323A" (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) Processing sheet with id=AI3, first strand: chain 'H' and resid 315 through 323A removed outlier: 7.219A pdb=" N TRP H 316 " --> pdb=" O ILE H 309 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N ILE H 309 " --> pdb=" O TRP H 316 " (cutoff:3.500A) removed outlier: 5.624A pdb=" N TYR H 318 " --> pdb=" O ILE H 307 " (cutoff:3.500A) removed outlier: 6.967A pdb=" N ILE H 307 " --> pdb=" O TYR H 318 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N THR H 320 " --> pdb=" O LYS H 305 " (cutoff:3.500A) removed outlier: 5.683A pdb=" N LYS H 305 " --> pdb=" O THR H 320 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N ASP H 322 " --> pdb=" O THR H 303 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ASN H 301 " --> pdb=" O ILE H 323A" (cutoff:3.500A) removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) Processing sheet with id=AI4, first strand: chain 'H' and resid 315 through 323A removed outlier: 7.219A pdb=" N TRP H 316 " --> pdb=" O ILE H 309 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N ILE H 309 " --> pdb=" O TRP H 316 " (cutoff:3.500A) removed outlier: 5.624A pdb=" N TYR H 318 " --> pdb=" O ILE H 307 " (cutoff:3.500A) removed outlier: 6.967A pdb=" N ILE H 307 " --> pdb=" O TYR H 318 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N THR H 320 " --> pdb=" O LYS H 305 " (cutoff:3.500A) removed outlier: 5.683A pdb=" N LYS H 305 " --> pdb=" O THR H 320 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N ASP H 322 " --> pdb=" O THR H 303 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ASN H 301 " --> pdb=" O ILE H 323A" (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) Processing sheet with id=AI5, first strand: chain 'H' and resid 374 through 378 removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) Processing sheet with id=AI6, first strand: chain 'H' and resid 374 through 378 removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ASN H 301 " --> pdb=" O ILE H 323A" (cutoff:3.500A) removed outlier: 4.054A pdb=" N ASP H 322 " --> pdb=" O THR H 303 " (cutoff:3.500A) removed outlier: 5.683A pdb=" N LYS H 305 " --> pdb=" O THR H 320 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N THR H 320 " --> pdb=" O LYS H 305 " (cutoff:3.500A) removed outlier: 6.967A pdb=" N ILE H 307 " --> pdb=" O TYR H 318 " (cutoff:3.500A) removed outlier: 5.624A pdb=" N TYR H 318 " --> pdb=" O ILE H 307 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N ILE H 309 " --> pdb=" O TRP H 316 " (cutoff:3.500A) removed outlier: 7.219A pdb=" N TRP H 316 " --> pdb=" O ILE H 309 " (cutoff:3.500A) Processing sheet with id=AI7, first strand: chain 'H' and resid 374 through 378 removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) Processing sheet with id=AI8, first strand: chain 'H' and resid 374 through 378 removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) Processing sheet with id=AI9, first strand: chain 'H' and resid 393 through 395 removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) Processing sheet with id=AJ1, first strand: chain 'H' and resid 393 through 395 removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) Processing sheet with id=AJ2, first strand: chain 'H' and resid 393 through 395 removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ASN H 301 " --> pdb=" O ILE H 323A" (cutoff:3.500A) removed outlier: 4.054A pdb=" N ASP H 322 " --> pdb=" O THR H 303 " (cutoff:3.500A) removed outlier: 5.683A pdb=" N LYS H 305 " --> pdb=" O THR H 320 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N THR H 320 " --> pdb=" O LYS H 305 " (cutoff:3.500A) removed outlier: 6.967A pdb=" N ILE H 307 " --> pdb=" O TYR H 318 " (cutoff:3.500A) removed outlier: 5.624A pdb=" N TYR H 318 " --> pdb=" O ILE H 307 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N ILE H 309 " --> pdb=" O TRP H 316 " (cutoff:3.500A) removed outlier: 7.219A pdb=" N TRP H 316 " --> pdb=" O ILE H 309 " (cutoff:3.500A) Processing sheet with id=AJ3, first strand: chain 'H' and resid 393 through 395 removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) Processing sheet with id=AJ4, first strand: chain 'H' and resid 259 through 260 removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) Processing sheet with id=AJ5, first strand: chain 'H' and resid 259 through 260 removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ASN H 301 " --> pdb=" O ILE H 323A" (cutoff:3.500A) removed outlier: 4.054A pdb=" N ASP H 322 " --> pdb=" O THR H 303 " (cutoff:3.500A) removed outlier: 5.683A pdb=" N LYS H 305 " --> pdb=" O THR H 320 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N THR H 320 " --> pdb=" O LYS H 305 " (cutoff:3.500A) removed outlier: 6.967A pdb=" N ILE H 307 " --> pdb=" O TYR H 318 " (cutoff:3.500A) removed outlier: 5.624A pdb=" N TYR H 318 " --> pdb=" O ILE H 307 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N ILE H 309 " --> pdb=" O TRP H 316 " (cutoff:3.500A) removed outlier: 7.219A pdb=" N TRP H 316 " --> pdb=" O ILE H 309 " (cutoff:3.500A) Processing sheet with id=AJ6, first strand: chain 'H' and resid 259 through 260 removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) Processing sheet with id=AJ7, first strand: chain 'H' and resid 259 through 260 removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) Processing sheet with id=AJ8, first strand: chain 'H' and resid 271 through 274 removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) Processing sheet with id=AJ9, first strand: chain 'H' and resid 271 through 274 removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) Processing sheet with id=AK1, first strand: chain 'H' and resid 271 through 274 removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) Processing sheet with id=AK2, first strand: chain 'H' and resid 315 through 323A removed outlier: 7.219A pdb=" N TRP H 316 " --> pdb=" O ILE H 309 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N ILE H 309 " --> pdb=" O TRP H 316 " (cutoff:3.500A) removed outlier: 5.624A pdb=" N TYR H 318 " --> pdb=" O ILE H 307 " (cutoff:3.500A) removed outlier: 6.967A pdb=" N ILE H 307 " --> pdb=" O TYR H 318 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N THR H 320 " --> pdb=" O LYS H 305 " (cutoff:3.500A) removed outlier: 5.683A pdb=" N LYS H 305 " --> pdb=" O THR H 320 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N ASP H 322 " --> pdb=" O THR H 303 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ASN H 301 " --> pdb=" O ILE H 323A" (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) Processing sheet with id=AK3, first strand: chain 'H' and resid 315 through 323A removed outlier: 7.219A pdb=" N TRP H 316 " --> pdb=" O ILE H 309 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N ILE H 309 " --> pdb=" O TRP H 316 " (cutoff:3.500A) removed outlier: 5.624A pdb=" N TYR H 318 " --> pdb=" O ILE H 307 " (cutoff:3.500A) removed outlier: 6.967A pdb=" N ILE H 307 " --> pdb=" O TYR H 318 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N THR H 320 " --> pdb=" O LYS H 305 " (cutoff:3.500A) removed outlier: 5.683A pdb=" N LYS H 305 " --> pdb=" O THR H 320 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N ASP H 322 " --> pdb=" O THR H 303 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ASN H 301 " --> pdb=" O ILE H 323A" (cutoff:3.500A) removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) Processing sheet with id=AK4, first strand: chain 'H' and resid 315 through 323A removed outlier: 7.219A pdb=" N TRP H 316 " --> pdb=" O ILE H 309 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N ILE H 309 " --> pdb=" O TRP H 316 " (cutoff:3.500A) removed outlier: 5.624A pdb=" N TYR H 318 " --> pdb=" O ILE H 307 " (cutoff:3.500A) removed outlier: 6.967A pdb=" N ILE H 307 " --> pdb=" O TYR H 318 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N THR H 320 " --> pdb=" O LYS H 305 " (cutoff:3.500A) removed outlier: 5.683A pdb=" N LYS H 305 " --> pdb=" O THR H 320 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N ASP H 322 " --> pdb=" O THR H 303 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ASN H 301 " --> pdb=" O ILE H 323A" (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) Processing sheet with id=AK5, first strand: chain 'H' and resid 374 through 378 removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) Processing sheet with id=AK6, first strand: chain 'H' and resid 374 through 378 removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ASN H 301 " --> pdb=" O ILE H 323A" (cutoff:3.500A) removed outlier: 4.054A pdb=" N ASP H 322 " --> pdb=" O THR H 303 " (cutoff:3.500A) removed outlier: 5.683A pdb=" N LYS H 305 " --> pdb=" O THR H 320 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N THR H 320 " --> pdb=" O LYS H 305 " (cutoff:3.500A) removed outlier: 6.967A pdb=" N ILE H 307 " --> pdb=" O TYR H 318 " (cutoff:3.500A) removed outlier: 5.624A pdb=" N TYR H 318 " --> pdb=" O ILE H 307 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N ILE H 309 " --> pdb=" O TRP H 316 " (cutoff:3.500A) removed outlier: 7.219A pdb=" N TRP H 316 " --> pdb=" O ILE H 309 " (cutoff:3.500A) Processing sheet with id=AK7, first strand: chain 'H' and resid 374 through 378 removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) Processing sheet with id=AK8, first strand: chain 'H' and resid 374 through 378 removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) Processing sheet with id=AK9, first strand: chain 'H' and resid 393 through 395 removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) Processing sheet with id=AL1, first strand: chain 'H' and resid 393 through 395 removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) Processing sheet with id=AL2, first strand: chain 'H' and resid 393 through 395 removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ASN H 301 " --> pdb=" O ILE H 323A" (cutoff:3.500A) removed outlier: 4.054A pdb=" N ASP H 322 " --> pdb=" O THR H 303 " (cutoff:3.500A) removed outlier: 5.683A pdb=" N LYS H 305 " --> pdb=" O THR H 320 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N THR H 320 " --> pdb=" O LYS H 305 " (cutoff:3.500A) removed outlier: 6.967A pdb=" N ILE H 307 " --> pdb=" O TYR H 318 " (cutoff:3.500A) removed outlier: 5.624A pdb=" N TYR H 318 " --> pdb=" O ILE H 307 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N ILE H 309 " --> pdb=" O TRP H 316 " (cutoff:3.500A) removed outlier: 7.219A pdb=" N TRP H 316 " --> pdb=" O ILE H 309 " (cutoff:3.500A) Processing sheet with id=AL3, first strand: chain 'H' and resid 393 through 395 removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) Processing sheet with id=AL4, first strand: chain 'H' and resid 259 through 260 removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) Processing sheet with id=AL5, first strand: chain 'H' and resid 259 through 260 removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ASN H 301 " --> pdb=" O ILE H 323A" (cutoff:3.500A) removed outlier: 4.054A pdb=" N ASP H 322 " --> pdb=" O THR H 303 " (cutoff:3.500A) removed outlier: 5.683A pdb=" N LYS H 305 " --> pdb=" O THR H 320 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N THR H 320 " --> pdb=" O LYS H 305 " (cutoff:3.500A) removed outlier: 6.967A pdb=" N ILE H 307 " --> pdb=" O TYR H 318 " (cutoff:3.500A) removed outlier: 5.624A pdb=" N TYR H 318 " --> pdb=" O ILE H 307 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N ILE H 309 " --> pdb=" O TRP H 316 " (cutoff:3.500A) removed outlier: 7.219A pdb=" N TRP H 316 " --> pdb=" O ILE H 309 " (cutoff:3.500A) Processing sheet with id=AL6, first strand: chain 'H' and resid 259 through 260 removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) Processing sheet with id=AL7, first strand: chain 'H' and resid 259 through 260 removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) Processing sheet with id=AL8, first strand: chain 'H' and resid 271 through 274 removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) Processing sheet with id=AL9, first strand: chain 'H' and resid 271 through 274 removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) Processing sheet with id=AM1, first strand: chain 'H' and resid 271 through 274 removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) Processing sheet with id=AM2, first strand: chain 'H' and resid 315 through 323A removed outlier: 7.219A pdb=" N TRP H 316 " --> pdb=" O ILE H 309 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N ILE H 309 " --> pdb=" O TRP H 316 " (cutoff:3.500A) removed outlier: 5.624A pdb=" N TYR H 318 " --> pdb=" O ILE H 307 " (cutoff:3.500A) removed outlier: 6.967A pdb=" N ILE H 307 " --> pdb=" O TYR H 318 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N THR H 320 " --> pdb=" O LYS H 305 " (cutoff:3.500A) removed outlier: 5.683A pdb=" N LYS H 305 " --> pdb=" O THR H 320 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N ASP H 322 " --> pdb=" O THR H 303 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ASN H 301 " --> pdb=" O ILE H 323A" (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) Processing sheet with id=AM3, first strand: chain 'H' and resid 315 through 323A removed outlier: 7.219A pdb=" N TRP H 316 " --> pdb=" O ILE H 309 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N ILE H 309 " --> pdb=" O TRP H 316 " (cutoff:3.500A) removed outlier: 5.624A pdb=" N TYR H 318 " --> pdb=" O ILE H 307 " (cutoff:3.500A) removed outlier: 6.967A pdb=" N ILE H 307 " --> pdb=" O TYR H 318 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N THR H 320 " --> pdb=" O LYS H 305 " (cutoff:3.500A) removed outlier: 5.683A pdb=" N LYS H 305 " --> pdb=" O THR H 320 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N ASP H 322 " --> pdb=" O THR H 303 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ASN H 301 " --> pdb=" O ILE H 323A" (cutoff:3.500A) removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) Processing sheet with id=AM4, first strand: chain 'H' and resid 315 through 323A removed outlier: 7.219A pdb=" N TRP H 316 " --> pdb=" O ILE H 309 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N ILE H 309 " --> pdb=" O TRP H 316 " (cutoff:3.500A) removed outlier: 5.624A pdb=" N TYR H 318 " --> pdb=" O ILE H 307 " (cutoff:3.500A) removed outlier: 6.967A pdb=" N ILE H 307 " --> pdb=" O TYR H 318 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N THR H 320 " --> pdb=" O LYS H 305 " (cutoff:3.500A) removed outlier: 5.683A pdb=" N LYS H 305 " --> pdb=" O THR H 320 " (cutoff:3.500A) removed outlier: 4.054A pdb=" N ASP H 322 " --> pdb=" O THR H 303 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ASN H 301 " --> pdb=" O ILE H 323A" (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) Processing sheet with id=AM5, first strand: chain 'H' and resid 374 through 378 removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) Processing sheet with id=AM6, first strand: chain 'H' and resid 374 through 378 removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ASN H 301 " --> pdb=" O ILE H 323A" (cutoff:3.500A) removed outlier: 4.054A pdb=" N ASP H 322 " --> pdb=" O THR H 303 " (cutoff:3.500A) removed outlier: 5.683A pdb=" N LYS H 305 " --> pdb=" O THR H 320 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N THR H 320 " --> pdb=" O LYS H 305 " (cutoff:3.500A) removed outlier: 6.967A pdb=" N ILE H 307 " --> pdb=" O TYR H 318 " (cutoff:3.500A) removed outlier: 5.624A pdb=" N TYR H 318 " --> pdb=" O ILE H 307 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N ILE H 309 " --> pdb=" O TRP H 316 " (cutoff:3.500A) removed outlier: 7.219A pdb=" N TRP H 316 " --> pdb=" O ILE H 309 " (cutoff:3.500A) Processing sheet with id=AM7, first strand: chain 'H' and resid 374 through 378 removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) Processing sheet with id=AM8, first strand: chain 'H' and resid 374 through 378 removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) Processing sheet with id=AM9, first strand: chain 'H' and resid 393 through 395 removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) removed outlier: 6.743A pdb=" N LEU H 260 " --> pdb=" O THR H 450 " (cutoff:3.500A) Processing sheet with id=AN1, first strand: chain 'H' and resid 393 through 395 removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) Processing sheet with id=AN2, first strand: chain 'H' and resid 393 through 395 removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N ASN H 301 " --> pdb=" O ILE H 323A" (cutoff:3.500A) removed outlier: 4.054A pdb=" N ASP H 322 " --> pdb=" O THR H 303 " (cutoff:3.500A) removed outlier: 5.683A pdb=" N LYS H 305 " --> pdb=" O THR H 320 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N THR H 320 " --> pdb=" O LYS H 305 " (cutoff:3.500A) removed outlier: 6.967A pdb=" N ILE H 307 " --> pdb=" O TYR H 318 " (cutoff:3.500A) removed outlier: 5.624A pdb=" N TYR H 318 " --> pdb=" O ILE H 307 " (cutoff:3.500A) removed outlier: 6.555A pdb=" N ILE H 309 " --> pdb=" O TRP H 316 " (cutoff:3.500A) removed outlier: 7.219A pdb=" N TRP H 316 " --> pdb=" O ILE H 309 " (cutoff:3.500A) Processing sheet with id=AN3, first strand: chain 'H' and resid 393 through 395 removed outlier: 6.417A pdb=" N ILE H 358 " --> pdb=" O GLU H 466 " (cutoff:3.500A) removed outlier: 7.546A pdb=" N PHE H 468 " --> pdb=" O ILE H 358 " (cutoff:3.500A) removed outlier: 6.250A pdb=" N ARG H 360 " --> pdb=" O PHE H 468 " (cutoff:3.500A) removed outlier: 5.274A pdb=" N GLY H 441 " --> pdb=" O ASN H 300 " (cutoff:3.500A) removed outlier: 5.286A pdb=" N ASN H 300 " --> pdb=" O GLY H 441 " (cutoff:3.500A) removed outlier: 6.534A pdb=" N GLY H 451 " --> pdb=" O THR H 290 " (cutoff:3.500A) removed outlier: 10.605A pdb=" N THR H 290 " --> pdb=" O GLY H 451 " (cutoff:3.500A) removed outlier: 11.909A pdb=" N ILE H 453 " --> pdb=" O PHE H 288 " (cutoff:3.500A) removed outlier: 11.998A pdb=" N PHE H 288 " --> pdb=" O ILE H 453 " (cutoff:3.500A) removed outlier: 10.874A pdb=" N THR H 455 " --> pdb=" O VAL H 286 " (cutoff:3.500A) removed outlier: 10.778A pdb=" N VAL H 286 " --> pdb=" O THR H 455 " (cutoff:3.500A) removed outlier: 6.505A pdb=" N GLN H 293 " --> pdb=" O SER H 334 " (cutoff:3.500A) removed outlier: 3.817A pdb=" N ALA H 329 " --> pdb=" O CYS H 418 " (cutoff:3.500A) removed outlier: 4.098A pdb=" N PHE H 382 " --> pdb=" O LYS H 421 " (cutoff:3.500A) Processing sheet with id=AN4, first strand: chain 'G' and resid 494 through 498 Processing sheet with id=AN5, first strand: chain 'G' and resid 45 through 47 Processing sheet with id=AN6, first strand: chain 'G' and resid 75 through 76 removed outlier: 3.738A pdb=" N VAL G 75 " --> pdb=" O CYS G 54 " (cutoff:3.500A) Processing sheet with id=AN7, first strand: chain 'G' and resid 91 through 92 Processing sheet with id=AN8, first strand: chain 'G' and resid 169 through 177 Processing sheet with id=AN9, first strand: chain 'G' and resid 200 through 203 removed outlier: 6.224A pdb=" N ALA G 200 " --> pdb=" O ALA G 433 " (cutoff:3.500A) removed outlier: 7.177A pdb=" N TYR G 435 " --> pdb=" O ALA G 200 " (cutoff:3.500A) removed outlier: 6.593A pdb=" N THR G 202 " --> pdb=" O TYR G 435 " (cutoff:3.500A) Processing sheet with id=AO1, first strand: chain 'G' and resid 259 through 260 removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) Processing sheet with id=AO2, first strand: chain 'G' and resid 259 through 260 removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 7.453A pdb=" N ASN G 301 " --> pdb=" O ILE G 323 " (cutoff:3.500A) removed outlier: 4.904A pdb=" N ILE G 323 " --> pdb=" O ASN G 301 " (cutoff:3.500A) removed outlier: 6.454A pdb=" N THR G 303 " --> pdb=" O GLY G 321 " (cutoff:3.500A) removed outlier: 6.923A pdb=" N GLN G 315 " --> pdb=" O ILE G 309 " (cutoff:3.500A) Processing sheet with id=AO3, first strand: chain 'G' and resid 259 through 260 removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) Processing sheet with id=AO4, first strand: chain 'G' and resid 259 through 260 removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) Processing sheet with id=AO5, first strand: chain 'G' and resid 271 through 274 removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) Processing sheet with id=AO6, first strand: chain 'G' and resid 271 through 274 removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) Processing sheet with id=AO7, first strand: chain 'G' and resid 271 through 274 removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) Processing sheet with id=AO8, first strand: chain 'G' and resid 315 through 323 removed outlier: 6.923A pdb=" N GLN G 315 " --> pdb=" O ILE G 309 " (cutoff:3.500A) removed outlier: 6.454A pdb=" N THR G 303 " --> pdb=" O GLY G 321 " (cutoff:3.500A) removed outlier: 4.904A pdb=" N ILE G 323 " --> pdb=" O ASN G 301 " (cutoff:3.500A) removed outlier: 7.453A pdb=" N ASN G 301 " --> pdb=" O ILE G 323 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) Processing sheet with id=AO9, first strand: chain 'G' and resid 315 through 323 removed outlier: 6.923A pdb=" N GLN G 315 " --> pdb=" O ILE G 309 " (cutoff:3.500A) removed outlier: 6.454A pdb=" N THR G 303 " --> pdb=" O GLY G 321 " (cutoff:3.500A) removed outlier: 4.904A pdb=" N ILE G 323 " --> pdb=" O ASN G 301 " (cutoff:3.500A) removed outlier: 7.453A pdb=" N ASN G 301 " --> pdb=" O ILE G 323 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) Processing sheet with id=AP1, first strand: chain 'G' and resid 315 through 323 removed outlier: 6.923A pdb=" N GLN G 315 " --> pdb=" O ILE G 309 " (cutoff:3.500A) removed outlier: 6.454A pdb=" N THR G 303 " --> pdb=" O GLY G 321 " (cutoff:3.500A) removed outlier: 4.904A pdb=" N ILE G 323 " --> pdb=" O ASN G 301 " (cutoff:3.500A) removed outlier: 7.453A pdb=" N ASN G 301 " --> pdb=" O ILE G 323 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) Processing sheet with id=AP2, first strand: chain 'G' and resid 374 through 378 removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) Processing sheet with id=AP3, first strand: chain 'G' and resid 374 through 378 removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) removed outlier: 7.453A pdb=" N ASN G 301 " --> pdb=" O ILE G 323 " (cutoff:3.500A) removed outlier: 4.904A pdb=" N ILE G 323 " --> pdb=" O ASN G 301 " (cutoff:3.500A) removed outlier: 6.454A pdb=" N THR G 303 " --> pdb=" O GLY G 321 " (cutoff:3.500A) removed outlier: 6.923A pdb=" N GLN G 315 " --> pdb=" O ILE G 309 " (cutoff:3.500A) Processing sheet with id=AP4, first strand: chain 'G' and resid 374 through 378 removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) Processing sheet with id=AP5, first strand: chain 'G' and resid 374 through 378 removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) Processing sheet with id=AP6, first strand: chain 'G' and resid 393 through 395 removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) Processing sheet with id=AP7, first strand: chain 'G' and resid 393 through 395 removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) Processing sheet with id=AP8, first strand: chain 'G' and resid 393 through 395 removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 7.453A pdb=" N ASN G 301 " --> pdb=" O ILE G 323 " (cutoff:3.500A) removed outlier: 4.904A pdb=" N ILE G 323 " --> pdb=" O ASN G 301 " (cutoff:3.500A) removed outlier: 6.454A pdb=" N THR G 303 " --> pdb=" O GLY G 321 " (cutoff:3.500A) removed outlier: 6.923A pdb=" N GLN G 315 " --> pdb=" O ILE G 309 " (cutoff:3.500A) Processing sheet with id=AP9, first strand: chain 'G' and resid 393 through 395 removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) Processing sheet with id=AQ1, first strand: chain 'G' and resid 259 through 260 removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) Processing sheet with id=AQ2, first strand: chain 'G' and resid 259 through 260 removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 7.453A pdb=" N ASN G 301 " --> pdb=" O ILE G 323 " (cutoff:3.500A) removed outlier: 4.904A pdb=" N ILE G 323 " --> pdb=" O ASN G 301 " (cutoff:3.500A) removed outlier: 6.454A pdb=" N THR G 303 " --> pdb=" O GLY G 321 " (cutoff:3.500A) removed outlier: 6.923A pdb=" N GLN G 315 " --> pdb=" O ILE G 309 " (cutoff:3.500A) Processing sheet with id=AQ3, first strand: chain 'G' and resid 259 through 260 removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) Processing sheet with id=AQ4, first strand: chain 'G' and resid 259 through 260 removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) Processing sheet with id=AQ5, first strand: chain 'G' and resid 271 through 274 removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) Processing sheet with id=AQ6, first strand: chain 'G' and resid 271 through 274 removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) Processing sheet with id=AQ7, first strand: chain 'G' and resid 271 through 274 removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) Processing sheet with id=AQ8, first strand: chain 'G' and resid 315 through 323 removed outlier: 6.923A pdb=" N GLN G 315 " --> pdb=" O ILE G 309 " (cutoff:3.500A) removed outlier: 6.454A pdb=" N THR G 303 " --> pdb=" O GLY G 321 " (cutoff:3.500A) removed outlier: 4.904A pdb=" N ILE G 323 " --> pdb=" O ASN G 301 " (cutoff:3.500A) removed outlier: 7.453A pdb=" N ASN G 301 " --> pdb=" O ILE G 323 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) Processing sheet with id=AQ9, first strand: chain 'G' and resid 315 through 323 removed outlier: 6.923A pdb=" N GLN G 315 " --> pdb=" O ILE G 309 " (cutoff:3.500A) removed outlier: 6.454A pdb=" N THR G 303 " --> pdb=" O GLY G 321 " (cutoff:3.500A) removed outlier: 4.904A pdb=" N ILE G 323 " --> pdb=" O ASN G 301 " (cutoff:3.500A) removed outlier: 7.453A pdb=" N ASN G 301 " --> pdb=" O ILE G 323 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) Processing sheet with id=AR1, first strand: chain 'G' and resid 315 through 323 removed outlier: 6.923A pdb=" N GLN G 315 " --> pdb=" O ILE G 309 " (cutoff:3.500A) removed outlier: 6.454A pdb=" N THR G 303 " --> pdb=" O GLY G 321 " (cutoff:3.500A) removed outlier: 4.904A pdb=" N ILE G 323 " --> pdb=" O ASN G 301 " (cutoff:3.500A) removed outlier: 7.453A pdb=" N ASN G 301 " --> pdb=" O ILE G 323 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) Processing sheet with id=AR2, first strand: chain 'G' and resid 374 through 378 removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) Processing sheet with id=AR3, first strand: chain 'G' and resid 374 through 378 removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) removed outlier: 7.453A pdb=" N ASN G 301 " --> pdb=" O ILE G 323 " (cutoff:3.500A) removed outlier: 4.904A pdb=" N ILE G 323 " --> pdb=" O ASN G 301 " (cutoff:3.500A) removed outlier: 6.454A pdb=" N THR G 303 " --> pdb=" O GLY G 321 " (cutoff:3.500A) removed outlier: 6.923A pdb=" N GLN G 315 " --> pdb=" O ILE G 309 " (cutoff:3.500A) Processing sheet with id=AR4, first strand: chain 'G' and resid 374 through 378 removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) Processing sheet with id=AR5, first strand: chain 'G' and resid 374 through 378 removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) Processing sheet with id=AR6, first strand: chain 'G' and resid 393 through 395 removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) Processing sheet with id=AR7, first strand: chain 'G' and resid 393 through 395 removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) Processing sheet with id=AR8, first strand: chain 'G' and resid 393 through 395 removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 7.453A pdb=" N ASN G 301 " --> pdb=" O ILE G 323 " (cutoff:3.500A) removed outlier: 4.904A pdb=" N ILE G 323 " --> pdb=" O ASN G 301 " (cutoff:3.500A) removed outlier: 6.454A pdb=" N THR G 303 " --> pdb=" O GLY G 321 " (cutoff:3.500A) removed outlier: 6.923A pdb=" N GLN G 315 " --> pdb=" O ILE G 309 " (cutoff:3.500A) Processing sheet with id=AR9, first strand: chain 'G' and resid 393 through 395 removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) Processing sheet with id=AS1, first strand: chain 'G' and resid 259 through 260 removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) Processing sheet with id=AS2, first strand: chain 'G' and resid 259 through 260 removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 7.453A pdb=" N ASN G 301 " --> pdb=" O ILE G 323 " (cutoff:3.500A) removed outlier: 4.904A pdb=" N ILE G 323 " --> pdb=" O ASN G 301 " (cutoff:3.500A) removed outlier: 6.454A pdb=" N THR G 303 " --> pdb=" O GLY G 321 " (cutoff:3.500A) removed outlier: 6.923A pdb=" N GLN G 315 " --> pdb=" O ILE G 309 " (cutoff:3.500A) Processing sheet with id=AS3, first strand: chain 'G' and resid 259 through 260 removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) Processing sheet with id=AS4, first strand: chain 'G' and resid 259 through 260 removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) Processing sheet with id=AS5, first strand: chain 'G' and resid 271 through 274 removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) Processing sheet with id=AS6, first strand: chain 'G' and resid 271 through 274 removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) Processing sheet with id=AS7, first strand: chain 'G' and resid 271 through 274 removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) Processing sheet with id=AS8, first strand: chain 'G' and resid 315 through 323 removed outlier: 6.923A pdb=" N GLN G 315 " --> pdb=" O ILE G 309 " (cutoff:3.500A) removed outlier: 6.454A pdb=" N THR G 303 " --> pdb=" O GLY G 321 " (cutoff:3.500A) removed outlier: 4.904A pdb=" N ILE G 323 " --> pdb=" O ASN G 301 " (cutoff:3.500A) removed outlier: 7.453A pdb=" N ASN G 301 " --> pdb=" O ILE G 323 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) Processing sheet with id=AS9, first strand: chain 'G' and resid 315 through 323 removed outlier: 6.923A pdb=" N GLN G 315 " --> pdb=" O ILE G 309 " (cutoff:3.500A) removed outlier: 6.454A pdb=" N THR G 303 " --> pdb=" O GLY G 321 " (cutoff:3.500A) removed outlier: 4.904A pdb=" N ILE G 323 " --> pdb=" O ASN G 301 " (cutoff:3.500A) removed outlier: 7.453A pdb=" N ASN G 301 " --> pdb=" O ILE G 323 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) Processing sheet with id=AT1, first strand: chain 'G' and resid 315 through 323 removed outlier: 6.923A pdb=" N GLN G 315 " --> pdb=" O ILE G 309 " (cutoff:3.500A) removed outlier: 6.454A pdb=" N THR G 303 " --> pdb=" O GLY G 321 " (cutoff:3.500A) removed outlier: 4.904A pdb=" N ILE G 323 " --> pdb=" O ASN G 301 " (cutoff:3.500A) removed outlier: 7.453A pdb=" N ASN G 301 " --> pdb=" O ILE G 323 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) Processing sheet with id=AT2, first strand: chain 'G' and resid 374 through 378 removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) Processing sheet with id=AT3, first strand: chain 'G' and resid 374 through 378 removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) removed outlier: 7.453A pdb=" N ASN G 301 " --> pdb=" O ILE G 323 " (cutoff:3.500A) removed outlier: 4.904A pdb=" N ILE G 323 " --> pdb=" O ASN G 301 " (cutoff:3.500A) removed outlier: 6.454A pdb=" N THR G 303 " --> pdb=" O GLY G 321 " (cutoff:3.500A) removed outlier: 6.923A pdb=" N GLN G 315 " --> pdb=" O ILE G 309 " (cutoff:3.500A) Processing sheet with id=AT4, first strand: chain 'G' and resid 374 through 378 removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) Processing sheet with id=AT5, first strand: chain 'G' and resid 374 through 378 removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) Processing sheet with id=AT6, first strand: chain 'G' and resid 393 through 395 removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) removed outlier: 6.712A pdb=" N LEU G 260 " --> pdb=" O THR G 450 " (cutoff:3.500A) Processing sheet with id=AT7, first strand: chain 'G' and resid 393 through 395 removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) Processing sheet with id=AT8, first strand: chain 'G' and resid 393 through 395 removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 7.453A pdb=" N ASN G 301 " --> pdb=" O ILE G 323 " (cutoff:3.500A) removed outlier: 4.904A pdb=" N ILE G 323 " --> pdb=" O ASN G 301 " (cutoff:3.500A) removed outlier: 6.454A pdb=" N THR G 303 " --> pdb=" O GLY G 321 " (cutoff:3.500A) removed outlier: 6.923A pdb=" N GLN G 315 " --> pdb=" O ILE G 309 " (cutoff:3.500A) Processing sheet with id=AT9, first strand: chain 'G' and resid 393 through 395 removed outlier: 6.397A pdb=" N ILE G 358 " --> pdb=" O GLU G 466 " (cutoff:3.500A) removed outlier: 7.503A pdb=" N PHE G 468 " --> pdb=" O ILE G 358 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N ARG G 360 " --> pdb=" O PHE G 468 " (cutoff:3.500A) removed outlier: 5.387A pdb=" N GLY G 441 " --> pdb=" O ASN G 300 " (cutoff:3.500A) removed outlier: 5.318A pdb=" N ASN G 300 " --> pdb=" O GLY G 441 " (cutoff:3.500A) removed outlier: 6.691A pdb=" N GLY G 451 " --> pdb=" O THR G 290 " (cutoff:3.500A) removed outlier: 10.723A pdb=" N THR G 290 " --> pdb=" O GLY G 451 " (cutoff:3.500A) removed outlier: 12.099A pdb=" N ILE G 453 " --> pdb=" O PHE G 288 " (cutoff:3.500A) removed outlier: 12.147A pdb=" N PHE G 288 " --> pdb=" O ILE G 453 " (cutoff:3.500A) removed outlier: 10.772A pdb=" N THR G 455 " --> pdb=" O VAL G 286 " (cutoff:3.500A) removed outlier: 10.523A pdb=" N VAL G 286 " --> pdb=" O THR G 455 " (cutoff:3.500A) removed outlier: 6.721A pdb=" N GLN G 293 " --> pdb=" O SER G 334 " (cutoff:3.500A) removed outlier: 3.871A pdb=" N ALA G 329 " --> pdb=" O CYS G 418 " (cutoff:3.500A) removed outlier: 4.345A pdb=" N PHE G 382 " --> pdb=" O LYS G 421 " (cutoff:3.500A) Processing sheet with id=AU1, first strand: chain 'C' and resid 3 through 7 Processing sheet with id=AU2, first strand: chain 'C' and resid 11 through 12 removed outlier: 4.142A pdb=" N TYR C 33 " --> pdb=" O THR C 95 " (cutoff:3.500A) removed outlier: 6.550A pdb=" N TRP C 34 " --> pdb=" O TYR C 50 " (cutoff:3.500A) removed outlier: 4.354A pdb=" N TYR C 50 " --> pdb=" O TRP C 34 " (cutoff:3.500A) removed outlier: 6.531A pdb=" N TRP C 36 " --> pdb=" O ILE C 48 " (cutoff:3.500A) Processing sheet with id=AU3, first strand: chain 'C' and resid 11 through 12 removed outlier: 7.024A pdb=" N CYS C 92 " --> pdb=" O TRP C 103 " (cutoff:3.500A) removed outlier: 4.460A pdb=" N TRP C 103 " --> pdb=" O CYS C 92 " (cutoff:3.500A) removed outlier: 6.651A pdb=" N THR C 94 " --> pdb=" O ASP C 101 " (cutoff:3.500A) Processing sheet with id=AU4, first strand: chain 'L' and resid 6 through 13 removed outlier: 6.299A pdb=" N VAL L 11 " --> pdb=" O ILE L 105 " (cutoff:3.500A) removed outlier: 6.584A pdb=" N TRP L 35 " --> pdb=" O ILE L 47 " (cutoff:3.500A) Processing sheet with id=AU5, first strand: chain 'L' and resid 19 through 23 Processing sheet with id=AU6, first strand: chain 'D' and resid 3 through 7 removed outlier: 5.473A pdb=" N GLU D 16 " --> pdb=" O GLY D 82B" (cutoff:3.500A) Processing sheet with id=AU7, first strand: chain 'D' and resid 11 through 12 removed outlier: 4.044A pdb=" N TYR D 33 " --> pdb=" O THR D 95 " (cutoff:3.500A) removed outlier: 6.660A pdb=" N TRP D 34 " --> pdb=" O TYR D 50 " (cutoff:3.500A) removed outlier: 4.413A pdb=" N TYR D 50 " --> pdb=" O TRP D 34 " (cutoff:3.500A) removed outlier: 6.662A pdb=" N TRP D 36 " --> pdb=" O ILE D 48 " (cutoff:3.500A) Processing sheet with id=AU8, first strand: chain 'D' and resid 11 through 12 removed outlier: 7.191A pdb=" N CYS D 92 " --> pdb=" O TRP D 103 " (cutoff:3.500A) removed outlier: 4.703A pdb=" N TRP D 103 " --> pdb=" O CYS D 92 " (cutoff:3.500A) removed outlier: 6.444A pdb=" N THR D 94 " --> pdb=" O ASP D 101 " (cutoff:3.500A) Processing sheet with id=AU9, first strand: chain 'K' and resid 6 through 13 removed outlier: 6.616A pdb=" N TRP K 35 " --> pdb=" O ILE K 47 " (cutoff:3.500A) Processing sheet with id=AV1, first strand: chain 'K' and resid 19 through 23 Processing sheet with id=AV2, first strand: chain 'E' and resid 3 through 7 Processing sheet with id=AV3, first strand: chain 'E' and resid 11 through 12 removed outlier: 4.164A pdb=" N TYR E 33 " --> pdb=" O THR E 95 " (cutoff:3.500A) removed outlier: 6.588A pdb=" N TRP E 34 " --> pdb=" O TYR E 50 " (cutoff:3.500A) removed outlier: 4.360A pdb=" N TYR E 50 " --> pdb=" O TRP E 34 " (cutoff:3.500A) removed outlier: 6.687A pdb=" N TRP E 36 " --> pdb=" O ILE E 48 " (cutoff:3.500A) Processing sheet with id=AV4, first strand: chain 'E' and resid 11 through 12 removed outlier: 7.167A pdb=" N CYS E 92 " --> pdb=" O TRP E 103 " (cutoff:3.500A) removed outlier: 4.677A pdb=" N TRP E 103 " --> pdb=" O CYS E 92 " (cutoff:3.500A) removed outlier: 6.539A pdb=" N THR E 94 " --> pdb=" O ASP E 101 " (cutoff:3.500A) Processing sheet with id=AV5, first strand: chain 'M' and resid 6 through 13 removed outlier: 6.688A pdb=" N TRP M 35 " --> pdb=" O ILE M 47 " (cutoff:3.500A) Processing sheet with id=AV6, first strand: chain 'M' and resid 19 through 23 Processing sheet with id=AV7, first strand: chain 'F' and resid 3 through 6 Processing sheet with id=AV8, first strand: chain 'F' and resid 10 through 12 removed outlier: 8.212A pdb=" N TYR F 32 " --> pdb=" O ASP F 52 " (cutoff:3.500A) removed outlier: 5.728A pdb=" N ASP F 52 " --> pdb=" O TYR F 32 " (cutoff:3.500A) removed outlier: 6.878A pdb=" N ILE F 34 " --> pdb=" O THR F 50 " (cutoff:3.500A) removed outlier: 4.544A pdb=" N THR F 50 " --> pdb=" O ILE F 34 " (cutoff:3.500A) removed outlier: 6.431A pdb=" N TRP F 36 " --> pdb=" O MET F 48 " (cutoff:3.500A) Processing sheet with id=AV9, first strand: chain 'F' and resid 10 through 12 removed outlier: 3.654A pdb=" N VAL F 100F" --> pdb=" O VAL F 96 " (cutoff:3.500A) Processing sheet with id=AW1, first strand: chain 'N' and resid 4 through 7 Processing sheet with id=AW2, first strand: chain 'N' and resid 10 through 13 removed outlier: 6.712A pdb=" N LEU N 33 " --> pdb=" O TYR N 49 " (cutoff:3.500A) removed outlier: 5.150A pdb=" N TYR N 49 " --> pdb=" O LEU N 33 " (cutoff:3.500A) removed outlier: 6.542A pdb=" N TRP N 35 " --> pdb=" O LEU N 47 " (cutoff:3.500A) Processing sheet with id=AW3, first strand: chain 'N' and resid 10 through 13 3938 hydrogen bonds defined for protein. 10665 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: 28.89 Time building geometry restraints manager: 10.43 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.18 - 1.32: 5175 1.32 - 1.46: 7434 1.46 - 1.60: 9455 1.60 - 1.74: 10 1.74 - 1.88: 158 Bond restraints: 22232 Sorted by residual: bond pdb=" C1 NAG W 2 " pdb=" O5 NAG W 2 " ideal model delta sigma weight residual 1.406 1.553 -0.147 2.00e-02 2.50e+03 5.43e+01 bond pdb=" C1 NAG b 2 " pdb=" O5 NAG b 2 " ideal model delta sigma weight residual 1.406 1.549 -0.143 2.00e-02 2.50e+03 5.09e+01 bond pdb=" C1 NAG R 2 " pdb=" O5 NAG R 2 " ideal model delta sigma weight residual 1.406 1.548 -0.142 2.00e-02 2.50e+03 5.06e+01 bond pdb=" C1 NAG P 2 " pdb=" O5 NAG P 2 " ideal model delta sigma weight residual 1.406 1.548 -0.142 2.00e-02 2.50e+03 5.02e+01 bond pdb=" C1 NAG A 631 " pdb=" O5 NAG A 631 " ideal model delta sigma weight residual 1.406 1.548 -0.142 2.00e-02 2.50e+03 5.02e+01 ... (remaining 22227 not shown) Histogram of bond angle deviations from ideal: 96.19 - 103.83: 305 103.83 - 111.46: 9840 111.46 - 119.09: 8914 119.09 - 126.72: 10828 126.72 - 134.35: 351 Bond angle restraints: 30238 Sorted by residual: angle pdb=" C CYS H 239 " pdb=" N PRO H 240 " pdb=" CA PRO H 240 " ideal model delta sigma weight residual 119.56 128.27 -8.71 1.02e+00 9.61e-01 7.29e+01 angle pdb=" C CYS A 239 " pdb=" N PRO A 240 " pdb=" CA PRO A 240 " ideal model delta sigma weight residual 119.56 128.15 -8.59 1.02e+00 9.61e-01 7.10e+01 angle pdb=" C GLY C 8 " pdb=" N PRO C 9 " pdb=" CA PRO C 9 " ideal model delta sigma weight residual 119.56 128.13 -8.57 1.02e+00 9.61e-01 7.06e+01 angle pdb=" N LYS C 75 " pdb=" CA LYS C 75 " pdb=" C LYS C 75 " ideal model delta sigma weight residual 114.31 104.39 9.92 1.29e+00 6.01e-01 5.91e+01 angle pdb=" C GLN N 17 " pdb=" N PRO N 18 " pdb=" CA PRO N 18 " ideal model delta sigma weight residual 120.03 127.59 -7.56 9.90e-01 1.02e+00 5.83e+01 ... (remaining 30233 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 22.34: 13856 22.34 - 44.68: 373 44.68 - 67.02: 100 67.02 - 89.36: 75 89.36 - 111.70: 48 Dihedral angle restraints: 14452 sinusoidal: 6944 harmonic: 7508 Sorted by residual: dihedral pdb=" CB CYS G 228 " pdb=" SG CYS G 228 " pdb=" SG CYS G 239 " pdb=" CB CYS G 239 " ideal model delta sinusoidal sigma weight residual -86.00 -174.96 88.96 1 1.00e+01 1.00e-02 9.43e+01 dihedral pdb=" CB CYS A 228 " pdb=" SG CYS A 228 " pdb=" SG CYS A 239 " pdb=" CB CYS A 239 " ideal model delta sinusoidal sigma weight residual -86.00 -174.76 88.76 1 1.00e+01 1.00e-02 9.39e+01 dihedral pdb=" CB CYS H 228 " pdb=" SG CYS H 228 " pdb=" SG CYS H 239 " pdb=" CB CYS H 239 " ideal model delta sinusoidal sigma weight residual -86.00 -174.52 88.52 1 1.00e+01 1.00e-02 9.35e+01 ... (remaining 14449 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.110: 2694 0.110 - 0.220: 823 0.220 - 0.330: 125 0.330 - 0.440: 6 0.440 - 0.550: 12 Chirality restraints: 3660 Sorted by residual: chirality pdb=" C1 NAG W 2 " pdb=" O4 NAG W 1 " pdb=" C2 NAG W 2 " pdb=" O5 NAG W 2 " both_signs ideal model delta sigma weight residual False -2.40 -2.71 0.31 2.00e-02 2.50e+03 2.36e+02 chirality pdb=" C1 NAG P 2 " pdb=" O4 NAG P 1 " pdb=" C2 NAG P 2 " pdb=" O5 NAG P 2 " both_signs ideal model delta sigma weight residual False -2.40 -2.67 0.27 2.00e-02 2.50e+03 1.78e+02 chirality pdb=" C1 NAG R 2 " pdb=" O4 NAG R 1 " pdb=" C2 NAG R 2 " pdb=" O5 NAG R 2 " both_signs ideal model delta sigma weight residual False -2.40 -2.62 0.22 2.00e-02 2.50e+03 1.21e+02 ... (remaining 3657 not shown) Planarity restraints: 3736 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C2 NAG O 1 " 0.083 2.00e-02 2.50e+03 7.09e-02 6.28e+01 pdb=" C7 NAG O 1 " -0.022 2.00e-02 2.50e+03 pdb=" C8 NAG O 1 " -0.018 2.00e-02 2.50e+03 pdb=" N2 NAG O 1 " -0.112 2.00e-02 2.50e+03 pdb=" O7 NAG O 1 " 0.069 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB TRP H 69 " -0.064 2.00e-02 2.50e+03 3.40e-02 2.88e+01 pdb=" CG TRP H 69 " 0.006 2.00e-02 2.50e+03 pdb=" CD1 TRP H 69 " 0.018 2.00e-02 2.50e+03 pdb=" CD2 TRP H 69 " 0.037 2.00e-02 2.50e+03 pdb=" NE1 TRP H 69 " 0.013 2.00e-02 2.50e+03 pdb=" CE2 TRP H 69 " 0.010 2.00e-02 2.50e+03 pdb=" CE3 TRP H 69 " 0.049 2.00e-02 2.50e+03 pdb=" CZ2 TRP H 69 " -0.035 2.00e-02 2.50e+03 pdb=" CZ3 TRP H 69 " 0.007 2.00e-02 2.50e+03 pdb=" CH2 TRP H 69 " -0.041 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" C2 NAG A 631 " -0.057 2.00e-02 2.50e+03 4.65e-02 2.71e+01 pdb=" C7 NAG A 631 " 0.014 2.00e-02 2.50e+03 pdb=" C8 NAG A 631 " -0.043 2.00e-02 2.50e+03 pdb=" N2 NAG A 631 " 0.073 2.00e-02 2.50e+03 pdb=" O7 NAG A 631 " 0.012 2.00e-02 2.50e+03 ... (remaining 3733 not shown) Histogram of nonbonded interaction distances: 2.05 - 2.62: 350 2.62 - 3.19: 19227 3.19 - 3.76: 34469 3.76 - 4.33: 49564 4.33 - 4.90: 77271 Nonbonded interactions: 180881 Sorted by model distance: nonbonded pdb=" O3 NAG I 701 " pdb=" O7 NAG I 701 " model vdw 2.046 2.440 nonbonded pdb=" N ASN G 133 " pdb=" OD1 ASN G 133 " model vdw 2.336 2.520 nonbonded pdb=" OG1 THR G 37 " pdb=" OG1 THR G 499 " model vdw 2.348 2.440 nonbonded pdb=" N ASN G 234 " pdb=" OD1 ASN G 234 " model vdw 2.368 2.520 nonbonded pdb=" O4 NAG G 603 " pdb=" O6 NAG G 603 " model vdw 2.379 2.440 ... (remaining 180876 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 'A' and (resid 35 through 503 or (resid 603 through 632 and (name C1 or n \ ame C2 or name C3 or name C4 or name C5 or name C6 or name C7 or name C8 or name \ N2 or name O3 or name O4 or name O5 or name O6 or name O7 )))) selection = (chain 'G' and (resid 35 through 503 or (resid 601 through 610 and (name C1 or n \ ame C2 or name C3 or name C4 or name C5 or name C6 or name C7 or name C8 or name \ N2 or name O3 or name O4 or name O5 or name O6 or name O7 )))) selection = (chain 'H' and (resid 35 through 503 or (resid 601 through 612 and (name C1 or n \ ame C2 or name C3 or name C4 or name C5 or name C6 or name C7 or name C8 or name \ N2 or name O3 or name O4 or name O5 or name O6 or name O7 )))) } ncs_group { reference = (chain 'B' and resid 521 through 663) selection = (chain 'I' and resid 521 through 663) selection = chain 'J' } ncs_group { reference = chain 'C' selection = chain 'D' selection = chain 'E' } ncs_group { reference = chain 'K' selection = chain 'L' selection = chain 'M' } ncs_group { reference = chain 'O' selection = (chain 'P' and (name C1 or name C2 or name C3 or name C4 or name C5 or name C6 o \ r name C7 or name C8 or name N2 or name O3 or name O4 or name O5 or name O6 or n \ ame O7 )) selection = chain 'R' selection = chain 'V' selection = (chain 'W' and (name C1 or name C2 or name C3 or name C4 or name C5 or name C6 o \ r name C7 or name C8 or name N2 or name O3 or name O4 or name O5 or name O6 or n \ ame O7 )) selection = chain 'X' selection = (chain 'c' and (name C1 or name C2 or name C3 or name C4 or name C5 or name C6 o \ r name C7 or name C8 or name N2 or name O3 or name O4 or name O5 or name O6 or n \ ame O7 )) selection = (chain 'd' and (name C1 or name C2 or name C3 or name C4 or name C5 or name C6 o \ r name C7 or name C8 or name N2 or name O3 or name O4 or name O5 or name O6 or n \ ame O7 )) } ncs_group { reference = chain 'Q' selection = chain 'U' selection = chain 'Y' selection = (chain 'e' and ((resid 1 through 2 and (name C1 or name C2 or name C3 or name C4 \ or name C5 or name C6 or name C7 or name C8 or name N2 or name O3 or name O4 or \ name O5 or name O6 or name O7 )) or resid 3 through 5)) } ncs_group { reference = chain 'S' selection = chain 'Z' } ncs_group { reference = chain 'T' selection = chain 'a' selection = chain 'f' } ncs_group { reference = chain 'b' selection = chain 'g' } 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 group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 1.170 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: 0.020 Extract box with map and model: 7.120 Check model and map are aligned: 0.320 Set scattering table: 0.190 Process input model: 87.440 Find NCS groups from input model: 1.430 Set up NCS constraints: 0.260 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:2.960 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 100.920 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8100 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 : 0.021 0.162 22232 Z= 1.366 Angle : 1.761 9.998 30238 Z= 1.141 Chirality : 0.105 0.550 3660 Planarity : 0.009 0.071 3705 Dihedral : 14.353 111.696 9491 Min Nonbonded Distance : 2.046 Molprobity Statistics. All-atom Clashscore : 1.26 Ramachandran Plot: Outliers : 0.20 % Allowed : 2.63 % Favored : 97.17 % Rotamer: Outliers : 0.13 % Allowed : 0.26 % Favored : 99.61 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 1.67 % 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: 1.05 (0.16), residues: 2547 helix: 0.34 (0.26), residues: 363 sheet: 0.52 (0.17), residues: 795 loop : 1.13 (0.17), residues: 1389 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.064 0.009 TRP H 69 HIS 0.009 0.002 HIS H 374 PHE 0.044 0.006 PHE L 67 TYR 0.057 0.008 TYR F 91 ARG 0.008 0.001 ARG C 66 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 5094 Ramachandran restraints generated. 2547 Oldfield, 0 Emsley, 2547 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 5094 Ramachandran restraints generated. 2547 Oldfield, 0 Emsley, 2547 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 410 residues out of total 2300 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 3 poor density : 407 time to evaluate : 2.598 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 95 MET cc_start: 0.9470 (ptm) cc_final: 0.8708 (ptm) REVERT: A 249 HIS cc_start: 0.8269 (p-80) cc_final: 0.8041 (p90) REVERT: A 443 ILE cc_start: 0.9398 (mt) cc_final: 0.8795 (mp) REVERT: A 475 MET cc_start: 0.9134 (mmt) cc_final: 0.8665 (mpp) REVERT: B 535 MET cc_start: 0.9195 (mmm) cc_final: 0.8981 (mmm) REVERT: B 603 ILE cc_start: 0.9479 (mt) cc_final: 0.8917 (pt) REVERT: B 654 GLU cc_start: 0.8280 (mt-10) cc_final: 0.7893 (tt0) REVERT: H 349 LEU cc_start: 0.9744 (mt) cc_final: 0.9529 (mt) REVERT: H 434 MET cc_start: 0.8511 (tmm) cc_final: 0.8218 (tmm) REVERT: J 528 SER cc_start: 0.9213 (m) cc_final: 0.8936 (t) REVERT: J 595 ILE cc_start: 0.9705 (mt) cc_final: 0.9398 (mt) REVERT: J 603 ILE cc_start: 0.9395 (mt) cc_final: 0.9129 (mt) REVERT: J 646 LEU cc_start: 0.9593 (mt) cc_final: 0.9377 (tp) REVERT: J 654 GLU cc_start: 0.9128 (mt-10) cc_final: 0.8918 (tt0) REVERT: J 655 LYS cc_start: 0.9246 (tmtt) cc_final: 0.8789 (tptp) REVERT: G 195 ASN cc_start: 0.8906 (m-40) cc_final: 0.8627 (m-40) REVERT: G 234 ASN cc_start: 0.9134 (OUTLIER) cc_final: 0.8508 (p0) REVERT: G 424 ILE cc_start: 0.9664 (mm) cc_final: 0.9386 (mm) REVERT: I 530 MET cc_start: 0.9185 (mtp) cc_final: 0.8874 (mtp) REVERT: I 579 ARG cc_start: 0.8759 (mtm-85) cc_final: 0.8352 (mtt90) REVERT: I 584 GLU cc_start: 0.9535 (mt-10) cc_final: 0.9029 (tp30) REVERT: I 603 ILE cc_start: 0.9591 (mt) cc_final: 0.8861 (mt) REVERT: I 622 ILE cc_start: 0.9713 (mt) cc_final: 0.9213 (mt) REVERT: I 634 GLU cc_start: 0.8316 (tp30) cc_final: 0.8010 (tp30) REVERT: I 651 ASN cc_start: 0.9200 (m-40) cc_final: 0.8999 (t0) REVERT: D 100 MET cc_start: 0.8639 (mpt) cc_final: 0.8436 (mpp) REVERT: K 13 VAL cc_start: 0.8378 (t) cc_final: 0.7901 (p) REVERT: K 21 ILE cc_start: 0.9606 (mt) cc_final: 0.9395 (mm) REVERT: K 28 LEU cc_start: 0.9368 (mt) cc_final: 0.8939 (tp) REVERT: K 73 LEU cc_start: 0.8216 (tp) cc_final: 0.7957 (tp) REVERT: E 100 MET cc_start: 0.7950 (mpp) cc_final: 0.7341 (mpp) REVERT: M 104 LEU cc_start: 0.8999 (tt) cc_final: 0.8693 (tt) REVERT: F 10 GLU cc_start: 0.7332 (tp30) cc_final: 0.7120 (tm-30) REVERT: F 52 ASP cc_start: 0.8545 (t0) cc_final: 0.8280 (p0) REVERT: F 72 ASP cc_start: 0.6901 (m-30) cc_final: 0.6589 (m-30) REVERT: F 89 THR cc_start: 0.8632 (m) cc_final: 0.8211 (t) REVERT: N 3 VAL cc_start: 0.9288 (t) cc_final: 0.9085 (p) REVERT: N 28 ASN cc_start: 0.8981 (p0) cc_final: 0.8706 (p0) REVERT: N 35 TRP cc_start: 0.8832 (m100) cc_final: 0.8619 (m100) outliers start: 3 outliers final: 1 residues processed: 410 average time/residue: 0.4207 time to fit residues: 247.5282 Evaluate side-chains 169 residues out of total 2300 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 167 time to evaluate : 2.705 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 257 random chunks: chunk 217 optimal weight: 4.9990 chunk 194 optimal weight: 0.6980 chunk 108 optimal weight: 5.9990 chunk 66 optimal weight: 10.0000 chunk 131 optimal weight: 9.9990 chunk 104 optimal weight: 6.9990 chunk 201 optimal weight: 20.0000 chunk 77 optimal weight: 6.9990 chunk 122 optimal weight: 3.9990 chunk 149 optimal weight: 9.9990 chunk 233 optimal weight: 6.9990 overall best weight: 4.5388 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 67 ASN A 72 HIS A 105 HIS A 130 GLN A 188 ASN ** A 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 374 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 422 GLN B 575 GLN H 130 GLN H 188 ASN ** H 195 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 422 GLN G 188 ASN G 195 ASN I 577 GLN I 651 ASN C 32 ASN D 5 GLN D 97 HIS E 32 ASN ** F 23 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 37 GLN Total number of N/Q/H flips: 19 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8212 moved from start: 0.2691 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.066 22232 Z= 0.309 Angle : 0.774 13.212 30238 Z= 0.406 Chirality : 0.051 0.278 3660 Planarity : 0.006 0.128 3705 Dihedral : 12.110 91.306 4702 Min Nonbonded Distance : 2.101 Molprobity Statistics. All-atom Clashscore : 8.83 Ramachandran Plot: Outliers : 0.20 % Allowed : 2.83 % Favored : 96.98 % Rotamer: Outliers : 0.22 % Allowed : 1.26 % Favored : 98.52 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 1.67 % 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: 0.93 (0.16), residues: 2547 helix: 1.34 (0.27), residues: 381 sheet: 0.76 (0.18), residues: 775 loop : 0.46 (0.17), residues: 1391 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.031 0.003 TRP A 479 HIS 0.007 0.002 HIS C 52 PHE 0.032 0.003 PHE K 67 TYR 0.040 0.002 TYR I 643 ARG 0.006 0.001 ARG B 542 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 5094 Ramachandran restraints generated. 2547 Oldfield, 0 Emsley, 2547 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 5094 Ramachandran restraints generated. 2547 Oldfield, 0 Emsley, 2547 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 240 residues out of total 2300 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 5 poor density : 235 time to evaluate : 2.538 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: A 95 MET cc_start: 0.9497 (ptm) cc_final: 0.8733 (ptm) REVERT: A 217 TYR cc_start: 0.8401 (m-80) cc_final: 0.7945 (m-80) REVERT: A 249 HIS cc_start: 0.8473 (p-80) cc_final: 0.8273 (p90) REVERT: B 530 MET cc_start: 0.9029 (mtm) cc_final: 0.8311 (mtm) REVERT: B 542 ARG cc_start: 0.8181 (ptp90) cc_final: 0.7756 (ptp90) REVERT: B 543 ASN cc_start: 0.9490 (t0) cc_final: 0.9145 (t0) REVERT: B 603 ILE cc_start: 0.9544 (mt) cc_final: 0.9052 (pt) REVERT: B 654 GLU cc_start: 0.8266 (mt-10) cc_final: 0.7875 (tt0) REVERT: H 95 MET cc_start: 0.8755 (ptt) cc_final: 0.8504 (ptt) REVERT: H 122 LEU cc_start: 0.9290 (OUTLIER) cc_final: 0.9032 (mp) REVERT: H 349 LEU cc_start: 0.9590 (mt) cc_final: 0.9332 (mt) REVERT: H 377 ASN cc_start: 0.8451 (t0) cc_final: 0.8244 (p0) REVERT: H 434 MET cc_start: 0.8586 (tmm) cc_final: 0.8268 (tmm) REVERT: J 584 GLU cc_start: 0.9154 (mt-10) cc_final: 0.8409 (tm-30) REVERT: J 595 ILE cc_start: 0.9729 (mt) cc_final: 0.8718 (mt) REVERT: J 654 GLU cc_start: 0.9190 (mt-10) cc_final: 0.8793 (tt0) REVERT: I 584 GLU cc_start: 0.9455 (mt-10) cc_final: 0.9134 (tp30) REVERT: I 603 ILE cc_start: 0.9562 (mt) cc_final: 0.9248 (mt) REVERT: I 622 ILE cc_start: 0.9507 (mt) cc_final: 0.9264 (pt) REVERT: I 634 GLU cc_start: 0.8436 (tp30) cc_final: 0.8151 (tp30) REVERT: I 635 ILE cc_start: 0.9044 (pt) cc_final: 0.8770 (pt) REVERT: I 639 THR cc_start: 0.9641 (m) cc_final: 0.9352 (p) REVERT: C 103 TRP cc_start: 0.6496 (p90) cc_final: 0.5535 (p90) REVERT: L 104 LEU cc_start: 0.8973 (tp) cc_final: 0.8689 (tt) REVERT: D 100 MET cc_start: 0.9374 (mpp) cc_final: 0.8685 (mpp) REVERT: K 21 ILE cc_start: 0.9644 (mt) cc_final: 0.9220 (mm) REVERT: K 28 LEU cc_start: 0.9362 (mt) cc_final: 0.8840 (tp) REVERT: K 73 LEU cc_start: 0.8333 (tp) cc_final: 0.8010 (tp) REVERT: K 85 ASP cc_start: 0.8633 (m-30) cc_final: 0.8330 (m-30) REVERT: K 86 TYR cc_start: 0.8127 (m-80) cc_final: 0.7718 (m-10) REVERT: K 104 LEU cc_start: 0.8653 (tt) cc_final: 0.8251 (tt) REVERT: E 100 MET cc_start: 0.8236 (mpp) cc_final: 0.7766 (mpp) REVERT: F 48 MET cc_start: 0.8920 (mmp) cc_final: 0.8271 (mmm) REVERT: F 52 ASP cc_start: 0.8670 (t0) cc_final: 0.7931 (p0) REVERT: F 100 ILE cc_start: 0.9362 (pt) cc_final: 0.9132 (pt) REVERT: F 108 LEU cc_start: 0.8764 (pp) cc_final: 0.8359 (mt) REVERT: N 3 VAL cc_start: 0.9220 (t) cc_final: 0.8682 (t) REVERT: N 27 LEU cc_start: 0.9367 (mm) cc_final: 0.9147 (mt) REVERT: N 28 ASN cc_start: 0.8623 (p0) cc_final: 0.8058 (p0) outliers start: 5 outliers final: 1 residues processed: 240 average time/residue: 0.3532 time to fit residues: 130.5094 Evaluate side-chains 143 residues out of total 2300 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 141 time to evaluate : 2.610 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 257 random chunks: chunk 129 optimal weight: 9.9990 chunk 72 optimal weight: 20.0000 chunk 194 optimal weight: 6.9990 chunk 158 optimal weight: 5.9990 chunk 64 optimal weight: 20.0000 chunk 233 optimal weight: 7.9990 chunk 252 optimal weight: 6.9990 chunk 208 optimal weight: 30.0000 chunk 231 optimal weight: 5.9990 chunk 79 optimal weight: 5.9990 chunk 187 optimal weight: 7.9990 overall best weight: 6.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 82 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 188 ASN ** A 234 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 295 ASN ** A 374 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 188 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 195 ASN H 234 ASN G 130 GLN G 188 ASN E 97 HIS ** F 3 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 23 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 39 GLN F 64 GLN N 38 GLN Total number of N/Q/H flips: 10 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8339 moved from start: 0.3716 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.057 22232 Z= 0.352 Angle : 0.766 12.653 30238 Z= 0.393 Chirality : 0.049 0.309 3660 Planarity : 0.006 0.104 3705 Dihedral : 10.957 86.296 4702 Min Nonbonded Distance : 2.029 Molprobity Statistics. All-atom Clashscore : 11.98 Ramachandran Plot: Outliers : 0.08 % Allowed : 3.89 % Favored : 96.03 % Rotamer: Outliers : 0.09 % Allowed : 2.57 % Favored : 97.35 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 1.67 % 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: 0.71 (0.17), residues: 2547 helix: 1.06 (0.27), residues: 381 sheet: 0.68 (0.18), residues: 799 loop : 0.30 (0.17), residues: 1367 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.033 0.003 TRP F 100E HIS 0.007 0.002 HIS G 85 PHE 0.025 0.002 PHE M 98 TYR 0.046 0.002 TYR I 643 ARG 0.009 0.001 ARG F 13 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 5094 Ramachandran restraints generated. 2547 Oldfield, 0 Emsley, 2547 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 5094 Ramachandran restraints generated. 2547 Oldfield, 0 Emsley, 2547 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 179 residues out of total 2300 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 177 time to evaluate : 2.612 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: A 95 MET cc_start: 0.9360 (ptm) cc_final: 0.8688 (ptm) REVERT: A 217 TYR cc_start: 0.8261 (m-80) cc_final: 0.7734 (m-80) REVERT: A 249 HIS cc_start: 0.8820 (p-80) cc_final: 0.8582 (p90) REVERT: B 530 MET cc_start: 0.9026 (mtm) cc_final: 0.8247 (mtm) REVERT: B 542 ARG cc_start: 0.8354 (ptp90) cc_final: 0.7600 (ptp90) REVERT: B 543 ASN cc_start: 0.9498 (t0) cc_final: 0.9287 (t0) REVERT: B 654 GLU cc_start: 0.8416 (mt-10) cc_final: 0.7929 (tt0) REVERT: H 349 LEU cc_start: 0.9523 (mt) cc_final: 0.9215 (mt) REVERT: H 434 MET cc_start: 0.8802 (tmm) cc_final: 0.8493 (tmm) REVERT: J 654 GLU cc_start: 0.9232 (mt-10) cc_final: 0.8961 (tm-30) REVERT: G 98 ASN cc_start: 0.8660 (t0) cc_final: 0.7961 (t0) REVERT: I 584 GLU cc_start: 0.9458 (mt-10) cc_final: 0.9134 (tp30) REVERT: I 603 ILE cc_start: 0.9599 (mt) cc_final: 0.9200 (mt) REVERT: I 634 GLU cc_start: 0.8634 (tp30) cc_final: 0.8337 (tp30) REVERT: I 654 GLU cc_start: 0.9032 (tt0) cc_final: 0.8712 (tt0) REVERT: C 103 TRP cc_start: 0.6340 (p90) cc_final: 0.5651 (p90) REVERT: D 100 MET cc_start: 0.9522 (mpp) cc_final: 0.9310 (mpp) REVERT: K 21 ILE cc_start: 0.9620 (mt) cc_final: 0.9383 (mm) REVERT: K 86 TYR cc_start: 0.8242 (m-80) cc_final: 0.7796 (m-10) REVERT: K 104 LEU cc_start: 0.8914 (tt) cc_final: 0.8508 (tt) REVERT: E 13 LYS cc_start: 0.9517 (mppt) cc_final: 0.9287 (mmtm) REVERT: E 73 LYS cc_start: 0.9226 (pttt) cc_final: 0.8738 (tppt) REVERT: E 100 MET cc_start: 0.8082 (mpp) cc_final: 0.7588 (mpp) REVERT: F 48 MET cc_start: 0.9117 (mmp) cc_final: 0.8515 (mmm) REVERT: F 52 ASP cc_start: 0.8820 (t0) cc_final: 0.8480 (m-30) REVERT: F 80 LEU cc_start: 0.8652 (tp) cc_final: 0.8284 (tp) REVERT: F 99 LEU cc_start: 0.8892 (mt) cc_final: 0.7781 (mp) REVERT: F 108 LEU cc_start: 0.8766 (pp) cc_final: 0.8419 (mt) REVERT: N 3 VAL cc_start: 0.9131 (t) cc_final: 0.8704 (t) REVERT: N 28 ASN cc_start: 0.8654 (p0) cc_final: 0.7995 (p0) REVERT: N 103 LYS cc_start: 0.9292 (tttt) cc_final: 0.8686 (ptpp) outliers start: 2 outliers final: 0 residues processed: 179 average time/residue: 0.3649 time to fit residues: 99.9421 Evaluate side-chains 117 residues out of total 2300 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 117 time to evaluate : 2.620 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 257 random chunks: chunk 231 optimal weight: 30.0000 chunk 175 optimal weight: 20.0000 chunk 121 optimal weight: 20.0000 chunk 25 optimal weight: 8.9990 chunk 111 optimal weight: 5.9990 chunk 156 optimal weight: 0.6980 chunk 234 optimal weight: 20.0000 chunk 248 optimal weight: 7.9990 chunk 122 optimal weight: 2.9990 chunk 222 optimal weight: 10.0000 chunk 66 optimal weight: 20.0000 overall best weight: 5.3388 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 82 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 188 ASN ** A 234 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 295 ASN ** A 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 374 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** A 432 GLN H 188 ASN G 130 GLN ** F 3 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 23 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 38 GLN Total number of N/Q/H flips: 6 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8362 moved from start: 0.4235 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.041 22232 Z= 0.285 Angle : 0.682 12.908 30238 Z= 0.348 Chirality : 0.048 0.328 3660 Planarity : 0.005 0.070 3705 Dihedral : 10.247 82.414 4702 Min Nonbonded Distance : 2.066 Molprobity Statistics. All-atom Clashscore : 12.28 Ramachandran Plot: Outliers : 0.08 % Allowed : 4.12 % Favored : 95.80 % Rotamer: Outliers : 0.09 % Allowed : 2.22 % Favored : 97.70 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 1.67 % 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: 0.69 (0.17), residues: 2547 helix: 1.43 (0.28), residues: 381 sheet: 0.66 (0.18), residues: 788 loop : 0.16 (0.17), residues: 1378 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.041 0.002 TRP K 96 HIS 0.005 0.001 HIS G 85 PHE 0.014 0.002 PHE K 67 TYR 0.034 0.002 TYR I 643 ARG 0.006 0.001 ARG I 617 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 5094 Ramachandran restraints generated. 2547 Oldfield, 0 Emsley, 2547 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 5094 Ramachandran restraints generated. 2547 Oldfield, 0 Emsley, 2547 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 150 residues out of total 2300 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 148 time to evaluate : 2.422 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: A 217 TYR cc_start: 0.8235 (m-80) cc_final: 0.7506 (m-80) REVERT: A 416 LEU cc_start: 0.9246 (mp) cc_final: 0.8850 (pp) REVERT: A 479 TRP cc_start: 0.8447 (m-10) cc_final: 0.8243 (m-10) REVERT: B 530 MET cc_start: 0.9040 (mtm) cc_final: 0.8265 (mtm) REVERT: B 535 MET cc_start: 0.9175 (mmp) cc_final: 0.8940 (mmm) REVERT: B 542 ARG cc_start: 0.8567 (ptp90) cc_final: 0.7771 (ptp90) REVERT: B 654 GLU cc_start: 0.8382 (mt-10) cc_final: 0.7933 (tt0) REVERT: H 349 LEU cc_start: 0.9460 (mt) cc_final: 0.9137 (mt) REVERT: H 434 MET cc_start: 0.8788 (tmm) cc_final: 0.8471 (tmm) REVERT: J 530 MET cc_start: 0.9009 (ptp) cc_final: 0.8758 (ptt) REVERT: J 654 GLU cc_start: 0.9247 (mt-10) cc_final: 0.8966 (tm-30) REVERT: G 100 MET cc_start: 0.8927 (mpp) cc_final: 0.8718 (mpp) REVERT: I 530 MET cc_start: 0.8741 (ptp) cc_final: 0.8242 (mtm) REVERT: I 584 GLU cc_start: 0.9420 (mt-10) cc_final: 0.9132 (tp30) REVERT: I 603 ILE cc_start: 0.9560 (mt) cc_final: 0.9155 (mt) REVERT: I 634 GLU cc_start: 0.8795 (tp30) cc_final: 0.8482 (tp30) REVERT: C 103 TRP cc_start: 0.6264 (p90) cc_final: 0.5582 (p90) REVERT: L 104 LEU cc_start: 0.8926 (tp) cc_final: 0.8595 (tt) REVERT: D 100 MET cc_start: 0.9466 (mpp) cc_final: 0.8753 (mpp) REVERT: K 21 ILE cc_start: 0.9665 (mt) cc_final: 0.9401 (mm) REVERT: K 86 TYR cc_start: 0.8122 (m-80) cc_final: 0.7761 (m-10) REVERT: K 104 LEU cc_start: 0.8888 (tt) cc_final: 0.8322 (tt) REVERT: E 73 LYS cc_start: 0.9258 (pttt) cc_final: 0.8750 (tptt) REVERT: E 100 MET cc_start: 0.8137 (mpp) cc_final: 0.7626 (mpp) REVERT: M 6 PHE cc_start: 0.8528 (p90) cc_final: 0.8227 (p90) REVERT: F 32 TYR cc_start: 0.9185 (p90) cc_final: 0.8976 (p90) REVERT: F 48 MET cc_start: 0.9103 (mmp) cc_final: 0.8481 (mmm) REVERT: F 52 ASP cc_start: 0.8875 (t0) cc_final: 0.8595 (m-30) REVERT: F 80 LEU cc_start: 0.8668 (tp) cc_final: 0.8300 (tp) REVERT: F 108 LEU cc_start: 0.8808 (pp) cc_final: 0.8481 (mt) REVERT: N 3 VAL cc_start: 0.9139 (t) cc_final: 0.8758 (t) REVERT: N 103 LYS cc_start: 0.9264 (tttt) cc_final: 0.8641 (ptpp) outliers start: 2 outliers final: 0 residues processed: 150 average time/residue: 0.3204 time to fit residues: 78.1004 Evaluate side-chains 109 residues out of total 2300 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 109 time to evaluate : 2.388 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 257 random chunks: chunk 206 optimal weight: 30.0000 chunk 141 optimal weight: 9.9990 chunk 3 optimal weight: 0.9980 chunk 184 optimal weight: 20.0000 chunk 102 optimal weight: 2.9990 chunk 211 optimal weight: 5.9990 chunk 171 optimal weight: 8.9990 chunk 0 optimal weight: 10.0000 chunk 126 optimal weight: 4.9990 chunk 222 optimal weight: 5.9990 chunk 62 optimal weight: 10.0000 overall best weight: 4.1988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 82 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 188 ASN ** A 234 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 249 HIS A 295 ASN ** A 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 478 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 188 ASN J 625 ASN I 625 ASN ** F 3 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 23 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 6 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8365 moved from start: 0.4570 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.052 22232 Z= 0.244 Angle : 0.644 12.263 30238 Z= 0.329 Chirality : 0.047 0.346 3660 Planarity : 0.004 0.068 3705 Dihedral : 9.672 78.292 4702 Min Nonbonded Distance : 2.064 Molprobity Statistics. All-atom Clashscore : 11.65 Ramachandran Plot: Outliers : 0.08 % Allowed : 4.20 % Favored : 95.72 % Rotamer: Outliers : 0.09 % Allowed : 1.78 % Favored : 98.13 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 1.67 % 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: 0.73 (0.17), residues: 2547 helix: 1.54 (0.28), residues: 381 sheet: 0.72 (0.19), residues: 773 loop : 0.13 (0.17), residues: 1393 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.034 0.002 TRP I 614 HIS 0.010 0.001 HIS A 374 PHE 0.013 0.002 PHE G 376 TYR 0.030 0.002 TYR I 643 ARG 0.003 0.000 ARG B 542 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 5094 Ramachandran restraints generated. 2547 Oldfield, 0 Emsley, 2547 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 5094 Ramachandran restraints generated. 2547 Oldfield, 0 Emsley, 2547 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 156 residues out of total 2300 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 154 time to evaluate : 2.435 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: A 95 MET cc_start: 0.9096 (ptp) cc_final: 0.8400 (ptm) REVERT: A 217 TYR cc_start: 0.7696 (m-80) cc_final: 0.7312 (m-80) REVERT: A 249 HIS cc_start: 0.8952 (p-80) cc_final: 0.8710 (p90) REVERT: A 416 LEU cc_start: 0.9268 (mp) cc_final: 0.8782 (pp) REVERT: B 530 MET cc_start: 0.8892 (mtm) cc_final: 0.8266 (mtm) REVERT: B 654 GLU cc_start: 0.8334 (mt-10) cc_final: 0.7933 (tt0) REVERT: H 349 LEU cc_start: 0.9428 (mt) cc_final: 0.9109 (mt) REVERT: H 434 MET cc_start: 0.8815 (tmm) cc_final: 0.8482 (tmm) REVERT: J 530 MET cc_start: 0.9050 (ptp) cc_final: 0.8839 (ptt) REVERT: J 584 GLU cc_start: 0.8766 (tt0) cc_final: 0.7916 (tm-30) REVERT: I 584 GLU cc_start: 0.9411 (mt-10) cc_final: 0.9130 (tp30) REVERT: I 603 ILE cc_start: 0.9538 (mt) cc_final: 0.9168 (mt) REVERT: I 634 GLU cc_start: 0.8849 (tp30) cc_final: 0.8548 (tp30) REVERT: I 639 THR cc_start: 0.9051 (m) cc_final: 0.8810 (m) REVERT: I 643 TYR cc_start: 0.9531 (m-80) cc_final: 0.9283 (m-80) REVERT: L 104 LEU cc_start: 0.9004 (tp) cc_final: 0.8710 (tt) REVERT: D 100 MET cc_start: 0.9444 (mpp) cc_final: 0.8881 (mpp) REVERT: K 86 TYR cc_start: 0.8115 (m-80) cc_final: 0.7907 (m-80) REVERT: K 104 LEU cc_start: 0.8901 (tt) cc_final: 0.8417 (tt) REVERT: E 73 LYS cc_start: 0.9252 (pttt) cc_final: 0.8691 (tppt) REVERT: M 6 PHE cc_start: 0.8534 (p90) cc_final: 0.8216 (p90) REVERT: F 48 MET cc_start: 0.9100 (mmp) cc_final: 0.8464 (mmm) REVERT: F 52 ASP cc_start: 0.8898 (t0) cc_final: 0.8560 (m-30) REVERT: F 72 ASP cc_start: 0.8072 (m-30) cc_final: 0.7624 (m-30) REVERT: F 80 LEU cc_start: 0.8669 (tp) cc_final: 0.8341 (tp) REVERT: F 108 LEU cc_start: 0.8811 (pp) cc_final: 0.8506 (mt) REVERT: N 103 LYS cc_start: 0.9312 (tttt) cc_final: 0.8639 (ptpp) outliers start: 2 outliers final: 0 residues processed: 156 average time/residue: 0.3258 time to fit residues: 82.2029 Evaluate side-chains 113 residues out of total 2300 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 113 time to evaluate : 2.471 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 257 random chunks: chunk 83 optimal weight: 10.0000 chunk 223 optimal weight: 30.0000 chunk 49 optimal weight: 8.9990 chunk 145 optimal weight: 9.9990 chunk 61 optimal weight: 8.9990 chunk 248 optimal weight: 30.0000 chunk 206 optimal weight: 30.0000 chunk 115 optimal weight: 8.9990 chunk 20 optimal weight: 20.0000 chunk 82 optimal weight: 10.0000 chunk 130 optimal weight: 20.0000 overall best weight: 9.3992 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 82 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 234 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 295 ASN ** A 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 478 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 188 ASN ** G 422 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 97 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 37 GLN D 5 GLN E 58 ASN M 42 GLN ** F 3 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 23 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** N 17 GLN N 53 ASN Total number of N/Q/H flips: 8 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8469 moved from start: 0.5183 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.007 0.061 22232 Z= 0.449 Angle : 0.825 13.566 30238 Z= 0.413 Chirality : 0.051 0.329 3660 Planarity : 0.005 0.054 3705 Dihedral : 10.007 77.219 4702 Min Nonbonded Distance : 2.059 Molprobity Statistics. All-atom Clashscore : 17.31 Ramachandran Plot: Outliers : 0.08 % Allowed : 5.34 % Favored : 94.58 % Rotamer: Outliers : 0.04 % Allowed : 1.74 % Favored : 98.22 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 1.67 % 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: 0.33 (0.17), residues: 2547 helix: 1.05 (0.27), residues: 381 sheet: 0.52 (0.18), residues: 773 loop : -0.10 (0.17), residues: 1393 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.035 0.003 TRP A 112 HIS 0.011 0.002 HIS A 374 PHE 0.017 0.002 PHE H 317 TYR 0.024 0.002 TYR A 217 ARG 0.007 0.001 ARG K 54 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 5094 Ramachandran restraints generated. 2547 Oldfield, 0 Emsley, 2547 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 5094 Ramachandran restraints generated. 2547 Oldfield, 0 Emsley, 2547 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 140 residues out of total 2300 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 139 time to evaluate : 2.467 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 95 MET cc_start: 0.9094 (ptm) cc_final: 0.8529 (ptm) REVERT: A 416 LEU cc_start: 0.9315 (mp) cc_final: 0.8933 (pp) REVERT: B 530 MET cc_start: 0.8861 (mtm) cc_final: 0.8210 (mtm) REVERT: B 654 GLU cc_start: 0.8515 (mt-10) cc_final: 0.7922 (tt0) REVERT: H 95 MET cc_start: 0.8764 (ptt) cc_final: 0.8433 (ppp) REVERT: H 349 LEU cc_start: 0.9437 (mt) cc_final: 0.9155 (mt) REVERT: H 434 MET cc_start: 0.8927 (tmm) cc_final: 0.8632 (tmm) REVERT: J 584 GLU cc_start: 0.8729 (tt0) cc_final: 0.7924 (tm-30) REVERT: G 98 ASN cc_start: 0.8821 (t0) cc_final: 0.8563 (t0) REVERT: I 584 GLU cc_start: 0.9417 (mt-10) cc_final: 0.8987 (mp0) REVERT: I 634 GLU cc_start: 0.8934 (tp30) cc_final: 0.8574 (tp30) REVERT: D 100 MET cc_start: 0.9513 (mpp) cc_final: 0.8996 (mmt) REVERT: E 73 LYS cc_start: 0.9325 (pttt) cc_final: 0.8692 (tppt) REVERT: M 6 PHE cc_start: 0.8554 (p90) cc_final: 0.8274 (p90) REVERT: M 104 LEU cc_start: 0.8914 (tt) cc_final: 0.8646 (tt) REVERT: F 48 MET cc_start: 0.9154 (mmp) cc_final: 0.8565 (mmm) REVERT: F 52 ASP cc_start: 0.8967 (t0) cc_final: 0.8235 (p0) REVERT: F 80 LEU cc_start: 0.8822 (tp) cc_final: 0.8293 (tp) REVERT: F 99 LEU cc_start: 0.9210 (mt) cc_final: 0.8753 (mp) REVERT: F 108 LEU cc_start: 0.8866 (pp) cc_final: 0.8644 (mp) REVERT: N 3 VAL cc_start: 0.8825 (t) cc_final: 0.8491 (t) REVERT: N 103 LYS cc_start: 0.8981 (tttt) cc_final: 0.8429 (ptpp) outliers start: 1 outliers final: 0 residues processed: 140 average time/residue: 0.3083 time to fit residues: 71.6345 Evaluate side-chains 101 residues out of total 2300 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 101 time to evaluate : 2.476 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 257 random chunks: chunk 239 optimal weight: 10.0000 chunk 28 optimal weight: 7.9990 chunk 141 optimal weight: 9.9990 chunk 181 optimal weight: 9.9990 chunk 140 optimal weight: 7.9990 chunk 209 optimal weight: 7.9990 chunk 138 optimal weight: 6.9990 chunk 247 optimal weight: 30.0000 chunk 155 optimal weight: 5.9990 chunk 151 optimal weight: 0.9990 chunk 114 optimal weight: 6.9990 overall best weight: 5.7990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 82 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 234 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 295 ASN ** A 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 478 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 188 ASN G 262 ASN G 422 GLN ** C 97 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** E 58 ASN ** F 3 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 23 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8438 moved from start: 0.5339 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.005 0.051 22232 Z= 0.302 Angle : 0.700 12.568 30238 Z= 0.353 Chirality : 0.048 0.365 3660 Planarity : 0.004 0.049 3705 Dihedral : 9.424 74.770 4702 Min Nonbonded Distance : 2.055 Molprobity Statistics. All-atom Clashscore : 14.47 Ramachandran Plot: Outliers : 0.08 % Allowed : 4.75 % Favored : 95.17 % Rotamer: Outliers : 0.09 % Allowed : 1.04 % Favored : 98.87 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 1.67 % 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: 0.36 (0.17), residues: 2547 helix: 1.19 (0.28), residues: 381 sheet: 0.49 (0.18), residues: 773 loop : -0.09 (0.17), residues: 1393 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.031 0.002 TRP A 479 HIS 0.006 0.001 HIS A 374 PHE 0.013 0.002 PHE G 383 TYR 0.033 0.002 TYR A 217 ARG 0.004 0.000 ARG M 94 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 5094 Ramachandran restraints generated. 2547 Oldfield, 0 Emsley, 2547 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 5094 Ramachandran restraints generated. 2547 Oldfield, 0 Emsley, 2547 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 146 residues out of total 2300 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 144 time to evaluate : 2.384 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: B 530 MET cc_start: 0.8807 (mtm) cc_final: 0.8317 (mtt) REVERT: B 535 MET cc_start: 0.9258 (mmm) cc_final: 0.8991 (mmm) REVERT: B 654 GLU cc_start: 0.8439 (mt-10) cc_final: 0.7871 (tt0) REVERT: H 349 LEU cc_start: 0.9400 (mt) cc_final: 0.9116 (mt) REVERT: H 434 MET cc_start: 0.8848 (tmm) cc_final: 0.8543 (tmm) REVERT: J 584 GLU cc_start: 0.8661 (tt0) cc_final: 0.7858 (tm-30) REVERT: I 530 MET cc_start: 0.9091 (ptp) cc_final: 0.8526 (ptp) REVERT: I 584 GLU cc_start: 0.9402 (mt-10) cc_final: 0.9140 (tp30) REVERT: I 634 GLU cc_start: 0.8970 (tp30) cc_final: 0.8593 (tp30) REVERT: L 104 LEU cc_start: 0.9039 (tp) cc_final: 0.8752 (tt) REVERT: D 100 MET cc_start: 0.9489 (mpp) cc_final: 0.9040 (mmt) REVERT: E 73 LYS cc_start: 0.9295 (pttt) cc_final: 0.8666 (tppt) REVERT: M 6 PHE cc_start: 0.8580 (p90) cc_final: 0.8264 (p90) REVERT: M 95 ASN cc_start: 0.8886 (m-40) cc_final: 0.8517 (t0) REVERT: F 48 MET cc_start: 0.9134 (mmp) cc_final: 0.8510 (mmm) REVERT: F 52 ASP cc_start: 0.8899 (t0) cc_final: 0.8205 (p0) REVERT: F 81 GLN cc_start: 0.7901 (tp40) cc_final: 0.7399 (tm-30) REVERT: F 108 LEU cc_start: 0.8863 (pp) cc_final: 0.8644 (mp) REVERT: N 3 VAL cc_start: 0.8868 (t) cc_final: 0.8580 (t) REVERT: N 103 LYS cc_start: 0.9043 (tttt) cc_final: 0.8443 (ptpp) outliers start: 2 outliers final: 0 residues processed: 146 average time/residue: 0.3156 time to fit residues: 75.4869 Evaluate side-chains 109 residues out of total 2300 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 109 time to evaluate : 2.855 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 257 random chunks: chunk 153 optimal weight: 20.0000 chunk 98 optimal weight: 0.9990 chunk 147 optimal weight: 9.9990 chunk 74 optimal weight: 10.0000 chunk 48 optimal weight: 9.9990 chunk 47 optimal weight: 1.9990 chunk 157 optimal weight: 5.9990 chunk 168 optimal weight: 20.0000 chunk 122 optimal weight: 9.9990 chunk 23 optimal weight: 1.9990 chunk 194 optimal weight: 5.9990 overall best weight: 3.3990 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 82 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 234 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 295 ASN ** A 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 478 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 188 ASN G 170 GLN G 262 ASN C 39 GLN ** C 97 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 38 GLN K 89 HIS ** F 3 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 23 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 7 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8404 moved from start: 0.5501 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.042 22232 Z= 0.214 Angle : 0.636 11.616 30238 Z= 0.323 Chirality : 0.047 0.383 3660 Planarity : 0.004 0.049 3705 Dihedral : 8.813 70.782 4702 Min Nonbonded Distance : 2.066 Molprobity Statistics. All-atom Clashscore : 13.40 Ramachandran Plot: Outliers : 0.08 % Allowed : 4.67 % Favored : 95.25 % Rotamer: Outliers : 0.09 % Allowed : 0.70 % Favored : 99.22 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 1.67 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.54 (0.17), residues: 2547 helix: 1.42 (0.28), residues: 381 sheet: 0.74 (0.20), residues: 705 loop : -0.05 (0.17), residues: 1461 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.035 0.002 TRP A 112 HIS 0.005 0.001 HIS A 374 PHE 0.015 0.001 PHE H 159 TYR 0.029 0.001 TYR A 217 ARG 0.006 0.000 ARG H 480 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 5094 Ramachandran restraints generated. 2547 Oldfield, 0 Emsley, 2547 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 5094 Ramachandran restraints generated. 2547 Oldfield, 0 Emsley, 2547 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 152 residues out of total 2300 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 2 poor density : 150 time to evaluate : 2.487 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: A 95 MET cc_start: 0.9141 (ptp) cc_final: 0.8617 (ptm) REVERT: A 104 MET cc_start: 0.8924 (mmp) cc_final: 0.8500 (mmp) REVERT: B 530 MET cc_start: 0.8695 (mtm) cc_final: 0.8270 (mtt) REVERT: B 535 MET cc_start: 0.9282 (mmm) cc_final: 0.8990 (mmm) REVERT: B 654 GLU cc_start: 0.8375 (mt-10) cc_final: 0.7813 (tt0) REVERT: H 349 LEU cc_start: 0.9420 (mt) cc_final: 0.9116 (mt) REVERT: H 434 MET cc_start: 0.8789 (tmm) cc_final: 0.8478 (tmm) REVERT: J 584 GLU cc_start: 0.8588 (tt0) cc_final: 0.7832 (tm-30) REVERT: G 42 VAL cc_start: 0.9410 (t) cc_final: 0.9165 (p) REVERT: I 584 GLU cc_start: 0.9379 (mt-10) cc_final: 0.9104 (tp30) REVERT: I 634 GLU cc_start: 0.9007 (tp30) cc_final: 0.8627 (tp30) REVERT: L 104 LEU cc_start: 0.8993 (tp) cc_final: 0.8701 (tt) REVERT: D 100 MET cc_start: 0.9465 (mpp) cc_final: 0.9119 (mmt) REVERT: K 100 GLU cc_start: 0.9149 (tp30) cc_final: 0.8934 (tp30) REVERT: E 73 LYS cc_start: 0.9255 (pttt) cc_final: 0.8659 (tppt) REVERT: E 100 MET cc_start: 0.8120 (mpp) cc_final: 0.7899 (mpp) REVERT: M 6 PHE cc_start: 0.8553 (p90) cc_final: 0.8271 (p90) REVERT: M 95 ASN cc_start: 0.8790 (m-40) cc_final: 0.8485 (t0) REVERT: M 97 VAL cc_start: 0.9524 (m) cc_final: 0.9161 (p) REVERT: F 32 TYR cc_start: 0.8899 (p90) cc_final: 0.8667 (p90) REVERT: F 48 MET cc_start: 0.9099 (mmp) cc_final: 0.8457 (mmm) REVERT: F 52 ASP cc_start: 0.8892 (t0) cc_final: 0.8193 (p0) REVERT: F 97 TYR cc_start: 0.8398 (t80) cc_final: 0.8032 (t80) REVERT: F 108 LEU cc_start: 0.8849 (pp) cc_final: 0.8627 (mp) REVERT: N 3 VAL cc_start: 0.8839 (t) cc_final: 0.8377 (t) REVERT: N 103 LYS cc_start: 0.9017 (tttt) cc_final: 0.8417 (ptpp) outliers start: 2 outliers final: 1 residues processed: 152 average time/residue: 0.3262 time to fit residues: 80.4538 Evaluate side-chains 116 residues out of total 2300 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 115 time to evaluate : 2.647 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 257 random chunks: chunk 225 optimal weight: 30.0000 chunk 237 optimal weight: 20.0000 chunk 216 optimal weight: 7.9990 chunk 230 optimal weight: 9.9990 chunk 138 optimal weight: 2.9990 chunk 100 optimal weight: 20.0000 chunk 181 optimal weight: 0.8980 chunk 70 optimal weight: 10.0000 chunk 208 optimal weight: 0.5980 chunk 218 optimal weight: 6.9990 chunk 151 optimal weight: 1.9990 overall best weight: 2.6986 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 82 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 234 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 295 ASN ** A 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 478 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 188 ASN D 5 GLN K 89 HIS ** F 3 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 23 GLN Total number of N/Q/H flips: 5 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8390 moved from start: 0.5632 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.044 22232 Z= 0.194 Angle : 0.617 11.735 30238 Z= 0.314 Chirality : 0.047 0.392 3660 Planarity : 0.004 0.047 3705 Dihedral : 8.348 64.247 4702 Min Nonbonded Distance : 2.053 Molprobity Statistics. All-atom Clashscore : 12.28 Ramachandran Plot: Outliers : 0.12 % Allowed : 4.20 % Favored : 95.68 % Rotamer: Outliers : 0.04 % Allowed : 0.61 % Favored : 99.35 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 1.67 % 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: 0.71 (0.17), residues: 2547 helix: 1.87 (0.28), residues: 366 sheet: 0.76 (0.19), residues: 746 loop : 0.00 (0.17), residues: 1435 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.033 0.002 TRP A 112 HIS 0.009 0.001 HIS C 97 PHE 0.013 0.001 PHE G 383 TYR 0.025 0.001 TYR A 217 ARG 0.010 0.000 ARG F 13 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 5094 Ramachandran restraints generated. 2547 Oldfield, 0 Emsley, 2547 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 5094 Ramachandran restraints generated. 2547 Oldfield, 0 Emsley, 2547 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 151 residues out of total 2300 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 150 time to evaluate : 2.785 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: A 95 MET cc_start: 0.9093 (ptm) cc_final: 0.8393 (ptm) REVERT: B 530 MET cc_start: 0.8838 (mtm) cc_final: 0.8345 (mtt) REVERT: B 535 MET cc_start: 0.9235 (mmm) cc_final: 0.8767 (mmm) REVERT: B 654 GLU cc_start: 0.8369 (mt-10) cc_final: 0.7838 (tt0) REVERT: H 349 LEU cc_start: 0.9393 (mt) cc_final: 0.9090 (mt) REVERT: H 434 MET cc_start: 0.8740 (tmm) cc_final: 0.8407 (tmm) REVERT: H 479 TRP cc_start: 0.8929 (m-10) cc_final: 0.8677 (m-10) REVERT: J 530 MET cc_start: 0.8606 (ptt) cc_final: 0.8130 (mtm) REVERT: J 584 GLU cc_start: 0.8549 (tt0) cc_final: 0.7762 (tm-30) REVERT: G 42 VAL cc_start: 0.9469 (t) cc_final: 0.9217 (p) REVERT: I 530 MET cc_start: 0.8958 (ptp) cc_final: 0.7977 (mtm) REVERT: I 584 GLU cc_start: 0.9405 (mt-10) cc_final: 0.9096 (tp30) REVERT: I 634 GLU cc_start: 0.9006 (tp30) cc_final: 0.8605 (tp30) REVERT: C 16 GLU cc_start: 0.8170 (pt0) cc_final: 0.7709 (tp30) REVERT: L 104 LEU cc_start: 0.8939 (tp) cc_final: 0.8640 (tt) REVERT: D 100 MET cc_start: 0.9445 (mpp) cc_final: 0.9097 (mmt) REVERT: E 73 LYS cc_start: 0.9222 (pttt) cc_final: 0.8612 (tppt) REVERT: E 100 MET cc_start: 0.8080 (mpp) cc_final: 0.7836 (mpp) REVERT: M 6 PHE cc_start: 0.8535 (p90) cc_final: 0.8258 (p90) REVERT: M 95 ASN cc_start: 0.8807 (m-40) cc_final: 0.8522 (t0) REVERT: M 97 VAL cc_start: 0.9501 (m) cc_final: 0.9137 (p) REVERT: F 32 TYR cc_start: 0.8903 (p90) cc_final: 0.8568 (p90) REVERT: F 48 MET cc_start: 0.9079 (mmp) cc_final: 0.8357 (mmt) REVERT: F 52 ASP cc_start: 0.8887 (t0) cc_final: 0.8177 (p0) REVERT: F 79 TYR cc_start: 0.7978 (m-10) cc_final: 0.7730 (m-10) REVERT: N 3 VAL cc_start: 0.8618 (t) cc_final: 0.8223 (t) REVERT: N 103 LYS cc_start: 0.9160 (tttt) cc_final: 0.8501 (ptpp) REVERT: N 105 ASP cc_start: 0.8797 (p0) cc_final: 0.8180 (t70) outliers start: 1 outliers final: 0 residues processed: 151 average time/residue: 0.3133 time to fit residues: 77.3513 Evaluate side-chains 109 residues out of total 2300 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 109 time to evaluate : 2.514 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 257 random chunks: chunk 244 optimal weight: 10.0000 chunk 148 optimal weight: 9.9990 chunk 115 optimal weight: 4.9990 chunk 169 optimal weight: 0.0000 chunk 256 optimal weight: 20.0000 chunk 235 optimal weight: 0.0070 chunk 203 optimal weight: 20.0000 chunk 21 optimal weight: 7.9990 chunk 157 optimal weight: 9.9990 chunk 125 optimal weight: 0.0770 chunk 161 optimal weight: 2.9990 overall best weight: 1.6164 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 82 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 295 ASN ** A 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 478 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 188 ASN ** H 374 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 97 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 3 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 2 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8360 moved from start: 0.5745 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.002 0.043 22232 Z= 0.163 Angle : 0.599 10.507 30238 Z= 0.305 Chirality : 0.047 0.403 3660 Planarity : 0.004 0.046 3705 Dihedral : 7.783 61.790 4702 Min Nonbonded Distance : 2.029 Molprobity Statistics. All-atom Clashscore : 11.42 Ramachandran Plot: Outliers : 0.12 % Allowed : 3.85 % Favored : 96.03 % Rotamer: Outliers : 0.04 % Allowed : 0.17 % Favored : 99.78 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 1.67 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: 0.76 (0.17), residues: 2547 helix: 1.93 (0.29), residues: 366 sheet: 0.80 (0.19), residues: 747 loop : 0.03 (0.17), residues: 1434 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.072 0.002 TRP A 69 HIS 0.008 0.001 HIS H 374 PHE 0.015 0.001 PHE C 100N TYR 0.016 0.001 TYR N 49 ARG 0.007 0.000 ARG F 13 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 5094 Ramachandran restraints generated. 2547 Oldfield, 0 Emsley, 2547 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 5094 Ramachandran restraints generated. 2547 Oldfield, 0 Emsley, 2547 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 151 residues out of total 2300 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 150 time to evaluate : 2.489 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: A 95 MET cc_start: 0.9144 (ptm) cc_final: 0.8434 (ptm) REVERT: A 195 ASN cc_start: 0.9635 (p0) cc_final: 0.9351 (p0) REVERT: A 416 LEU cc_start: 0.9217 (mp) cc_final: 0.8790 (pp) REVERT: B 530 MET cc_start: 0.8895 (mtm) cc_final: 0.8476 (mtt) REVERT: B 535 MET cc_start: 0.9265 (mmm) cc_final: 0.8798 (mmm) REVERT: B 654 GLU cc_start: 0.8312 (mt-10) cc_final: 0.7897 (tt0) REVERT: H 349 LEU cc_start: 0.9369 (mt) cc_final: 0.9094 (mt) REVERT: H 434 MET cc_start: 0.8724 (tmm) cc_final: 0.8361 (tmm) REVERT: H 479 TRP cc_start: 0.8796 (m-10) cc_final: 0.8415 (m-10) REVERT: J 530 MET cc_start: 0.8572 (ptt) cc_final: 0.8210 (mtm) REVERT: J 584 GLU cc_start: 0.8595 (tt0) cc_final: 0.7710 (tm-30) REVERT: J 626 MET cc_start: 0.8059 (mtp) cc_final: 0.7366 (mtm) REVERT: G 42 VAL cc_start: 0.9384 (t) cc_final: 0.9116 (p) REVERT: G 104 MET cc_start: 0.9179 (ttt) cc_final: 0.8869 (tmm) REVERT: I 530 MET cc_start: 0.8912 (ptp) cc_final: 0.7880 (mtm) REVERT: I 584 GLU cc_start: 0.9401 (mt-10) cc_final: 0.9104 (tp30) REVERT: I 634 GLU cc_start: 0.9015 (tp30) cc_final: 0.8620 (tp30) REVERT: C 16 GLU cc_start: 0.8178 (pt0) cc_final: 0.7836 (tp30) REVERT: L 49 TYR cc_start: 0.9436 (p90) cc_final: 0.9205 (p90) REVERT: L 104 LEU cc_start: 0.8946 (tp) cc_final: 0.8657 (tt) REVERT: D 100 MET cc_start: 0.9405 (mpp) cc_final: 0.8759 (mpp) REVERT: E 73 LYS cc_start: 0.9208 (pttt) cc_final: 0.8586 (tppt) REVERT: E 100 MET cc_start: 0.8050 (mpp) cc_final: 0.7674 (mpp) REVERT: M 6 PHE cc_start: 0.8497 (p90) cc_final: 0.8242 (p90) REVERT: M 95 ASN cc_start: 0.8782 (m-40) cc_final: 0.8490 (t0) REVERT: M 97 VAL cc_start: 0.9485 (m) cc_final: 0.9119 (p) REVERT: F 32 TYR cc_start: 0.8803 (p90) cc_final: 0.8557 (p90) REVERT: F 48 MET cc_start: 0.9066 (mmp) cc_final: 0.8419 (mmt) REVERT: F 52 ASP cc_start: 0.8854 (t0) cc_final: 0.8153 (p0) REVERT: N 3 VAL cc_start: 0.8518 (t) cc_final: 0.8091 (t) REVERT: N 103 LYS cc_start: 0.9130 (tttt) cc_final: 0.8487 (ptpp) REVERT: N 105 ASP cc_start: 0.8809 (p0) cc_final: 0.8211 (t70) outliers start: 1 outliers final: 0 residues processed: 151 average time/residue: 0.3141 time to fit residues: 76.8524 Evaluate side-chains 109 residues out of total 2300 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 109 time to evaluate : 2.331 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 257 random chunks: chunk 217 optimal weight: 6.9990 chunk 62 optimal weight: 0.0270 chunk 187 optimal weight: 20.0000 chunk 30 optimal weight: 5.9990 chunk 56 optimal weight: 0.2980 chunk 204 optimal weight: 7.9990 chunk 85 optimal weight: 8.9990 chunk 209 optimal weight: 9.9990 chunk 25 optimal weight: 9.9990 chunk 37 optimal weight: 10.0000 chunk 179 optimal weight: 20.0000 overall best weight: 4.2644 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** A 82 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 234 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 295 ASN ** A 348 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 478 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** H 188 ASN ** H 374 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 99 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 97 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 3 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 2 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.2947 r_free = 0.2947 target = 0.040331 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 36)----------------| | r_work = 0.2708 r_free = 0.2708 target = 0.034045 restraints weight = 175904.440| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 30)----------------| | r_work = 0.2746 r_free = 0.2746 target = 0.035021 restraints weight = 96668.723| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 29)----------------| | r_work = 0.2771 r_free = 0.2771 target = 0.035685 restraints weight = 62868.324| |-----------------------------------------------------------------------------| r_work (final): 0.2770 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.8373 moved from start: 0.5877 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.045 22232 Z= 0.242 Angle : 0.635 10.987 30238 Z= 0.322 Chirality : 0.047 0.392 3660 Planarity : 0.004 0.048 3705 Dihedral : 7.461 61.863 4702 Min Nonbonded Distance : 2.021 Molprobity Statistics. All-atom Clashscore : 13.19 Ramachandran Plot: Outliers : 0.12 % Allowed : 4.52 % Favored : 95.37 % Rotamer: Outliers : 0.04 % Allowed : 0.30 % Favored : 99.65 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 1.67 % 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: 0.65 (0.17), residues: 2547 helix: 1.51 (0.28), residues: 384 sheet: 0.83 (0.19), residues: 739 loop : -0.02 (0.17), residues: 1424 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.031 0.002 TRP A 479 HIS 0.004 0.001 HIS A 374 PHE 0.013 0.002 PHE G 383 TYR 0.048 0.002 TYR A 217 ARG 0.007 0.000 ARG F 13 Origin is already at (0, 0, 0), no shifts will be applied =============================================================================== Job complete usr+sys time: 3371.51 seconds wall clock time: 63 minutes 50.32 seconds (3830.32 seconds total)