Starting phenix.real_space_refine (version: dev) on Thu Feb 23 12:58:16 2023 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6th3_10502/02_2023/6th3_10502.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6th3_10502/02_2023/6th3_10502.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=4.0 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6th3_10502/02_2023/6th3_10502.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6th3_10502/02_2023/6th3_10502.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6th3_10502/02_2023/6th3_10502.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6th3_10502/02_2023/6th3_10502.pdb" } resolution = 4.0 write_initial_geo_file = False refinement { macro_cycles = 10 } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.001 sd= 0.004 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Process input model Symmetric amino acids flipped Residue "A ARG 18": "NH1" <-> "NH2" Residue "B ARG 18": "NH1" <-> "NH2" Residue "C ARG 18": "NH1" <-> "NH2" Residue "D ARG 18": "NH1" <-> "NH2" Residue "E ARG 18": "NH1" <-> "NH2" Residue "F ARG 18": "NH1" <-> "NH2" Residue "G ARG 18": "NH1" <-> "NH2" Residue "H ARG 18": "NH1" <-> "NH2" Residue "I ARG 18": "NH1" <-> "NH2" Residue "J ARG 18": "NH1" <-> "NH2" Residue "K ARG 18": "NH1" <-> "NH2" Residue "L ARG 18": "NH1" <-> "NH2" Residue "M ARG 18": "NH1" <-> "NH2" Residue "N ARG 18": "NH1" <-> "NH2" Residue "O ARG 18": "NH1" <-> "NH2" Residue "P ARG 18": "NH1" <-> "NH2" Residue "Q ARG 18": "NH1" <-> "NH2" Residue "R ARG 18": "NH1" <-> "NH2" Residue "S ARG 18": "NH1" <-> "NH2" Residue "T ARG 18": "NH1" <-> "NH2" Residue "U ARG 18": "NH1" <-> "NH2" Residue "V ARG 18": "NH1" <-> "NH2" Residue "W ARG 18": "NH1" <-> "NH2" Residue "X ARG 18": "NH1" <-> "NH2" Residue "Y ARG 18": "NH1" <-> "NH2" Residue "Z ARG 18": "NH1" <-> "NH2" Residue "0 ARG 18": "NH1" <-> "NH2" Residue "1 ARG 18": "NH1" <-> "NH2" Residue "2 ARG 18": "NH1" <-> "NH2" Residue "3 ARG 18": "NH1" <-> "NH2" Residue "4 ARG 18": "NH1" <-> "NH2" Residue "5 ARG 18": "NH1" <-> "NH2" Residue "6 ARG 18": "NH1" <-> "NH2" Residue "7 ARG 18": "NH1" <-> "NH2" Residue "8 ARG 18": "NH1" <-> "NH2" Residue "9 ARG 18": "NH1" <-> "NH2" Residue "a ARG 18": "NH1" <-> "NH2" Residue "b ARG 18": "NH1" <-> "NH2" Residue "c ARG 18": "NH1" <-> "NH2" Residue "d ARG 18": "NH1" <-> "NH2" Residue "e ARG 18": "NH1" <-> "NH2" Residue "f ARG 18": "NH1" <-> "NH2" Residue "g ARG 18": "NH1" <-> "NH2" Residue "h ARG 18": "NH1" <-> "NH2" Residue "i ARG 18": "NH1" <-> "NH2" Residue "j ARG 18": "NH1" <-> "NH2" Residue "k ARG 18": "NH1" <-> "NH2" Residue "l ARG 18": "NH1" <-> "NH2" Residue "m ARG 18": "NH1" <-> "NH2" Residue "n ARG 18": "NH1" <-> "NH2" Residue "o ARG 18": "NH1" <-> "NH2" Residue "p ARG 18": "NH1" <-> "NH2" Residue "q ARG 18": "NH1" <-> "NH2" Residue "r ARG 18": "NH1" <-> "NH2" Residue "s ARG 18": "NH1" <-> "NH2" Residue "t ARG 18": "NH1" <-> "NH2" Residue "u ARG 18": "NH1" <-> "NH2" Residue "v ARG 18": "NH1" <-> "NH2" Residue "w ARG 18": "NH1" <-> "NH2" Residue "x ARG 18": "NH1" <-> "NH2" Residue "y ARG 18": "NH1" <-> "NH2" Residue "z ARG 18": "NH1" <-> "NH2" Residue "AA ARG 18": "NH1" <-> "NH2" Residue "AB ARG 18": "NH1" <-> "NH2" Residue "AC ARG 18": "NH1" <-> "NH2" Residue "AD ARG 18": "NH1" <-> "NH2" Residue "AE ARG 18": "NH1" <-> "NH2" Residue "AF ARG 18": "NH1" <-> "NH2" Residue "AG ARG 18": "NH1" <-> "NH2" Residue "AH ARG 18": "NH1" <-> "NH2" Residue "AI ARG 18": "NH1" <-> "NH2" Residue "AJ ARG 18": "NH1" <-> "NH2" Residue "AK ARG 18": "NH1" <-> "NH2" Residue "AL ARG 18": "NH1" <-> "NH2" Residue "AM ARG 18": "NH1" <-> "NH2" Time to flip residues: 0.14s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-4877/modules/chem_data/mon_lib" Total number of atoms: 60600 Number of models: 1 Model: "" Number of chains: 75 Chain: "A" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "B" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "C" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "D" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "E" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "F" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "G" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "H" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "I" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "J" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "K" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "L" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "M" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "N" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "O" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "P" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "Q" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "R" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "S" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "T" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "U" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "V" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "W" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "X" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "Y" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "Z" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "0" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "1" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "2" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "3" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "4" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "5" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "6" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "7" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "8" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "9" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "a" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "b" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "c" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "d" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "e" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "f" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "g" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "h" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "i" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "j" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "k" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "l" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "m" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "n" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "o" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "p" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "q" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "r" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "s" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "t" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "u" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "v" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "w" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "x" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "y" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "z" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "AA" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "AB" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "AC" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "AD" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "AE" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "AF" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "AG" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "AH" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "AI" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "AJ" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "AK" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "AL" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Chain: "AM" Number of atoms: 808 Number of conformers: 1 Conformer: "" Number of residues, atoms: 104, 808 Classifications: {'peptide': 104} Link IDs: {'PTRANS': 6, 'TRANS': 97} Time building chain proxies: 25.54, per 1000 atoms: 0.42 Number of scatterers: 60600 At special positions: 0 Unit cell: (171.6, 171.6, 355.68, 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 450 16.00 O 11700 8.00 N 10275 7.00 C 38175 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=0, symmetry=0 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 16.63 Conformation dependent library (CDL) restraints added in 6.4 seconds 15300 Ramachandran restraints generated. 7650 Oldfield, 0 Emsley, 7650 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 14700 Finding SS restraints... Secondary structure from input PDB file: 225 helices and 150 sheets defined 22.1% alpha, 34.6% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 3.58 Creating SS restraints... Processing helix chain 'A' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU A 47 " --> pdb=" O PRO A 43 " (cutoff:3.500A) Processing helix chain 'A' and resid 82 through 87 Processing helix chain 'A' and resid 88 through 90 No H-bonds generated for 'chain 'A' and resid 88 through 90' Processing helix chain 'B' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU B 47 " --> pdb=" O PRO B 43 " (cutoff:3.500A) Processing helix chain 'B' and resid 82 through 87 Processing helix chain 'B' and resid 88 through 90 No H-bonds generated for 'chain 'B' and resid 88 through 90' Processing helix chain 'C' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU C 47 " --> pdb=" O PRO C 43 " (cutoff:3.500A) Processing helix chain 'C' and resid 82 through 87 Processing helix chain 'C' and resid 88 through 90 No H-bonds generated for 'chain 'C' and resid 88 through 90' Processing helix chain 'D' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU D 47 " --> pdb=" O PRO D 43 " (cutoff:3.500A) Processing helix chain 'D' and resid 82 through 87 Processing helix chain 'D' and resid 88 through 90 No H-bonds generated for 'chain 'D' and resid 88 through 90' Processing helix chain 'E' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU E 47 " --> pdb=" O PRO E 43 " (cutoff:3.500A) Processing helix chain 'E' and resid 82 through 87 Processing helix chain 'E' and resid 88 through 90 No H-bonds generated for 'chain 'E' and resid 88 through 90' Processing helix chain 'F' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU F 47 " --> pdb=" O PRO F 43 " (cutoff:3.500A) Processing helix chain 'F' and resid 82 through 87 Processing helix chain 'F' and resid 88 through 90 No H-bonds generated for 'chain 'F' and resid 88 through 90' Processing helix chain 'G' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU G 47 " --> pdb=" O PRO G 43 " (cutoff:3.500A) Processing helix chain 'G' and resid 82 through 87 Processing helix chain 'G' and resid 88 through 90 No H-bonds generated for 'chain 'G' and resid 88 through 90' Processing helix chain 'H' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU H 47 " --> pdb=" O PRO H 43 " (cutoff:3.500A) Processing helix chain 'H' and resid 82 through 87 Processing helix chain 'H' and resid 88 through 90 No H-bonds generated for 'chain 'H' and resid 88 through 90' Processing helix chain 'I' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU I 47 " --> pdb=" O PRO I 43 " (cutoff:3.500A) Processing helix chain 'I' and resid 82 through 87 Processing helix chain 'I' and resid 88 through 90 No H-bonds generated for 'chain 'I' and resid 88 through 90' Processing helix chain 'J' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU J 47 " --> pdb=" O PRO J 43 " (cutoff:3.500A) Processing helix chain 'J' and resid 82 through 87 Processing helix chain 'J' and resid 88 through 90 No H-bonds generated for 'chain 'J' and resid 88 through 90' Processing helix chain 'K' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU K 47 " --> pdb=" O PRO K 43 " (cutoff:3.500A) Processing helix chain 'K' and resid 82 through 87 Processing helix chain 'K' and resid 88 through 90 No H-bonds generated for 'chain 'K' and resid 88 through 90' Processing helix chain 'L' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU L 47 " --> pdb=" O PRO L 43 " (cutoff:3.500A) Processing helix chain 'L' and resid 82 through 87 Processing helix chain 'L' and resid 88 through 90 No H-bonds generated for 'chain 'L' and resid 88 through 90' Processing helix chain 'M' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU M 47 " --> pdb=" O PRO M 43 " (cutoff:3.500A) Processing helix chain 'M' and resid 82 through 87 Processing helix chain 'M' and resid 88 through 90 No H-bonds generated for 'chain 'M' and resid 88 through 90' Processing helix chain 'N' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU N 47 " --> pdb=" O PRO N 43 " (cutoff:3.500A) Processing helix chain 'N' and resid 82 through 87 Processing helix chain 'N' and resid 88 through 90 No H-bonds generated for 'chain 'N' and resid 88 through 90' Processing helix chain 'O' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU O 47 " --> pdb=" O PRO O 43 " (cutoff:3.500A) Processing helix chain 'O' and resid 82 through 87 Processing helix chain 'O' and resid 88 through 90 No H-bonds generated for 'chain 'O' and resid 88 through 90' Processing helix chain 'P' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU P 47 " --> pdb=" O PRO P 43 " (cutoff:3.500A) Processing helix chain 'P' and resid 82 through 87 Processing helix chain 'P' and resid 88 through 90 No H-bonds generated for 'chain 'P' and resid 88 through 90' Processing helix chain 'Q' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU Q 47 " --> pdb=" O PRO Q 43 " (cutoff:3.500A) Processing helix chain 'Q' and resid 82 through 87 Processing helix chain 'Q' and resid 88 through 90 No H-bonds generated for 'chain 'Q' and resid 88 through 90' Processing helix chain 'R' and resid 42 through 55 removed outlier: 3.527A pdb=" N LEU R 47 " --> pdb=" O PRO R 43 " (cutoff:3.500A) Processing helix chain 'R' and resid 82 through 87 Processing helix chain 'R' and resid 88 through 90 No H-bonds generated for 'chain 'R' and resid 88 through 90' Processing helix chain 'S' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU S 47 " --> pdb=" O PRO S 43 " (cutoff:3.500A) Processing helix chain 'S' and resid 82 through 87 Processing helix chain 'S' and resid 88 through 90 No H-bonds generated for 'chain 'S' and resid 88 through 90' Processing helix chain 'T' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU T 47 " --> pdb=" O PRO T 43 " (cutoff:3.500A) Processing helix chain 'T' and resid 82 through 87 Processing helix chain 'T' and resid 88 through 90 No H-bonds generated for 'chain 'T' and resid 88 through 90' Processing helix chain 'U' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU U 47 " --> pdb=" O PRO U 43 " (cutoff:3.500A) Processing helix chain 'U' and resid 82 through 87 Processing helix chain 'U' and resid 88 through 90 No H-bonds generated for 'chain 'U' and resid 88 through 90' Processing helix chain 'V' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU V 47 " --> pdb=" O PRO V 43 " (cutoff:3.500A) Processing helix chain 'V' and resid 82 through 87 Processing helix chain 'V' and resid 88 through 90 No H-bonds generated for 'chain 'V' and resid 88 through 90' Processing helix chain 'W' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU W 47 " --> pdb=" O PRO W 43 " (cutoff:3.500A) Processing helix chain 'W' and resid 82 through 87 Processing helix chain 'W' and resid 88 through 90 No H-bonds generated for 'chain 'W' and resid 88 through 90' Processing helix chain 'X' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU X 47 " --> pdb=" O PRO X 43 " (cutoff:3.500A) Processing helix chain 'X' and resid 82 through 87 Processing helix chain 'X' and resid 88 through 90 No H-bonds generated for 'chain 'X' and resid 88 through 90' Processing helix chain 'Y' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU Y 47 " --> pdb=" O PRO Y 43 " (cutoff:3.500A) Processing helix chain 'Y' and resid 82 through 87 Processing helix chain 'Y' and resid 88 through 90 No H-bonds generated for 'chain 'Y' and resid 88 through 90' Processing helix chain 'Z' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU Z 47 " --> pdb=" O PRO Z 43 " (cutoff:3.500A) Processing helix chain 'Z' and resid 82 through 87 Processing helix chain 'Z' and resid 88 through 90 No H-bonds generated for 'chain 'Z' and resid 88 through 90' Processing helix chain '0' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU 0 47 " --> pdb=" O PRO 0 43 " (cutoff:3.500A) Processing helix chain '0' and resid 82 through 87 Processing helix chain '0' and resid 88 through 90 No H-bonds generated for 'chain '0' and resid 88 through 90' Processing helix chain '1' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU 1 47 " --> pdb=" O PRO 1 43 " (cutoff:3.500A) Processing helix chain '1' and resid 82 through 87 Processing helix chain '1' and resid 88 through 90 No H-bonds generated for 'chain '1' and resid 88 through 90' Processing helix chain '2' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU 2 47 " --> pdb=" O PRO 2 43 " (cutoff:3.500A) Processing helix chain '2' and resid 82 through 87 Processing helix chain '2' and resid 88 through 90 No H-bonds generated for 'chain '2' and resid 88 through 90' Processing helix chain '3' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU 3 47 " --> pdb=" O PRO 3 43 " (cutoff:3.500A) Processing helix chain '3' and resid 82 through 87 Processing helix chain '3' and resid 88 through 90 No H-bonds generated for 'chain '3' and resid 88 through 90' Processing helix chain '4' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU 4 47 " --> pdb=" O PRO 4 43 " (cutoff:3.500A) Processing helix chain '4' and resid 82 through 87 Processing helix chain '4' and resid 88 through 90 No H-bonds generated for 'chain '4' and resid 88 through 90' Processing helix chain '5' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU 5 47 " --> pdb=" O PRO 5 43 " (cutoff:3.500A) Processing helix chain '5' and resid 82 through 87 Processing helix chain '5' and resid 88 through 90 No H-bonds generated for 'chain '5' and resid 88 through 90' Processing helix chain '6' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU 6 47 " --> pdb=" O PRO 6 43 " (cutoff:3.500A) Processing helix chain '6' and resid 82 through 87 Processing helix chain '6' and resid 88 through 90 No H-bonds generated for 'chain '6' and resid 88 through 90' Processing helix chain '7' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU 7 47 " --> pdb=" O PRO 7 43 " (cutoff:3.500A) Processing helix chain '7' and resid 82 through 87 Processing helix chain '7' and resid 88 through 90 No H-bonds generated for 'chain '7' and resid 88 through 90' Processing helix chain '8' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU 8 47 " --> pdb=" O PRO 8 43 " (cutoff:3.500A) Processing helix chain '8' and resid 82 through 87 Processing helix chain '8' and resid 88 through 90 No H-bonds generated for 'chain '8' and resid 88 through 90' Processing helix chain '9' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU 9 47 " --> pdb=" O PRO 9 43 " (cutoff:3.500A) Processing helix chain '9' and resid 82 through 87 Processing helix chain '9' and resid 88 through 90 No H-bonds generated for 'chain '9' and resid 88 through 90' Processing helix chain 'a' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU a 47 " --> pdb=" O PRO a 43 " (cutoff:3.500A) Processing helix chain 'a' and resid 82 through 87 Processing helix chain 'a' and resid 88 through 90 No H-bonds generated for 'chain 'a' and resid 88 through 90' Processing helix chain 'b' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU b 47 " --> pdb=" O PRO b 43 " (cutoff:3.500A) Processing helix chain 'b' and resid 82 through 87 Processing helix chain 'b' and resid 88 through 90 No H-bonds generated for 'chain 'b' and resid 88 through 90' Processing helix chain 'c' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU c 47 " --> pdb=" O PRO c 43 " (cutoff:3.500A) Processing helix chain 'c' and resid 82 through 87 Processing helix chain 'c' and resid 88 through 90 No H-bonds generated for 'chain 'c' and resid 88 through 90' Processing helix chain 'd' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU d 47 " --> pdb=" O PRO d 43 " (cutoff:3.500A) Processing helix chain 'd' and resid 82 through 87 Processing helix chain 'd' and resid 88 through 90 No H-bonds generated for 'chain 'd' and resid 88 through 90' Processing helix chain 'e' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU e 47 " --> pdb=" O PRO e 43 " (cutoff:3.500A) Processing helix chain 'e' and resid 82 through 87 Processing helix chain 'e' and resid 88 through 90 No H-bonds generated for 'chain 'e' and resid 88 through 90' Processing helix chain 'f' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU f 47 " --> pdb=" O PRO f 43 " (cutoff:3.500A) Processing helix chain 'f' and resid 82 through 87 Processing helix chain 'f' and resid 88 through 90 No H-bonds generated for 'chain 'f' and resid 88 through 90' Processing helix chain 'g' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU g 47 " --> pdb=" O PRO g 43 " (cutoff:3.500A) Processing helix chain 'g' and resid 82 through 87 Processing helix chain 'g' and resid 88 through 90 No H-bonds generated for 'chain 'g' and resid 88 through 90' Processing helix chain 'h' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU h 47 " --> pdb=" O PRO h 43 " (cutoff:3.500A) Processing helix chain 'h' and resid 82 through 87 Processing helix chain 'h' and resid 88 through 90 No H-bonds generated for 'chain 'h' and resid 88 through 90' Processing helix chain 'i' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU i 47 " --> pdb=" O PRO i 43 " (cutoff:3.500A) Processing helix chain 'i' and resid 82 through 87 Processing helix chain 'i' and resid 88 through 90 No H-bonds generated for 'chain 'i' and resid 88 through 90' Processing helix chain 'j' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU j 47 " --> pdb=" O PRO j 43 " (cutoff:3.500A) Processing helix chain 'j' and resid 82 through 87 Processing helix chain 'j' and resid 88 through 90 No H-bonds generated for 'chain 'j' and resid 88 through 90' Processing helix chain 'k' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU k 47 " --> pdb=" O PRO k 43 " (cutoff:3.500A) Processing helix chain 'k' and resid 82 through 87 Processing helix chain 'k' and resid 88 through 90 No H-bonds generated for 'chain 'k' and resid 88 through 90' Processing helix chain 'l' and resid 42 through 55 removed outlier: 3.527A pdb=" N LEU l 47 " --> pdb=" O PRO l 43 " (cutoff:3.500A) Processing helix chain 'l' and resid 82 through 87 Processing helix chain 'l' and resid 88 through 90 No H-bonds generated for 'chain 'l' and resid 88 through 90' Processing helix chain 'm' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU m 47 " --> pdb=" O PRO m 43 " (cutoff:3.500A) Processing helix chain 'm' and resid 82 through 87 Processing helix chain 'm' and resid 88 through 90 No H-bonds generated for 'chain 'm' and resid 88 through 90' Processing helix chain 'n' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU n 47 " --> pdb=" O PRO n 43 " (cutoff:3.500A) Processing helix chain 'n' and resid 82 through 87 Processing helix chain 'n' and resid 88 through 90 No H-bonds generated for 'chain 'n' and resid 88 through 90' Processing helix chain 'o' and resid 42 through 55 removed outlier: 3.527A pdb=" N LEU o 47 " --> pdb=" O PRO o 43 " (cutoff:3.500A) Processing helix chain 'o' and resid 82 through 87 Processing helix chain 'o' and resid 88 through 90 No H-bonds generated for 'chain 'o' and resid 88 through 90' Processing helix chain 'p' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU p 47 " --> pdb=" O PRO p 43 " (cutoff:3.500A) Processing helix chain 'p' and resid 82 through 87 Processing helix chain 'p' and resid 88 through 90 No H-bonds generated for 'chain 'p' and resid 88 through 90' Processing helix chain 'q' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU q 47 " --> pdb=" O PRO q 43 " (cutoff:3.500A) Processing helix chain 'q' and resid 82 through 87 Processing helix chain 'q' and resid 88 through 90 No H-bonds generated for 'chain 'q' and resid 88 through 90' Processing helix chain 'r' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU r 47 " --> pdb=" O PRO r 43 " (cutoff:3.500A) Processing helix chain 'r' and resid 82 through 87 Processing helix chain 'r' and resid 88 through 90 No H-bonds generated for 'chain 'r' and resid 88 through 90' Processing helix chain 's' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU s 47 " --> pdb=" O PRO s 43 " (cutoff:3.500A) Processing helix chain 's' and resid 82 through 87 Processing helix chain 's' and resid 88 through 90 No H-bonds generated for 'chain 's' and resid 88 through 90' Processing helix chain 't' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU t 47 " --> pdb=" O PRO t 43 " (cutoff:3.500A) Processing helix chain 't' and resid 82 through 87 Processing helix chain 't' and resid 88 through 90 No H-bonds generated for 'chain 't' and resid 88 through 90' Processing helix chain 'u' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU u 47 " --> pdb=" O PRO u 43 " (cutoff:3.500A) Processing helix chain 'u' and resid 82 through 87 Processing helix chain 'u' and resid 88 through 90 No H-bonds generated for 'chain 'u' and resid 88 through 90' Processing helix chain 'v' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU v 47 " --> pdb=" O PRO v 43 " (cutoff:3.500A) Processing helix chain 'v' and resid 82 through 87 Processing helix chain 'v' and resid 88 through 90 No H-bonds generated for 'chain 'v' and resid 88 through 90' Processing helix chain 'w' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU w 47 " --> pdb=" O PRO w 43 " (cutoff:3.500A) Processing helix chain 'w' and resid 82 through 87 Processing helix chain 'w' and resid 88 through 90 No H-bonds generated for 'chain 'w' and resid 88 through 90' Processing helix chain 'x' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEU x 47 " --> pdb=" O PRO x 43 " (cutoff:3.500A) Processing helix chain 'x' and resid 82 through 87 Processing helix chain 'x' and resid 88 through 90 No H-bonds generated for 'chain 'x' and resid 88 through 90' Processing helix chain 'y' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU y 47 " --> pdb=" O PRO y 43 " (cutoff:3.500A) Processing helix chain 'y' and resid 82 through 87 Processing helix chain 'y' and resid 88 through 90 No H-bonds generated for 'chain 'y' and resid 88 through 90' Processing helix chain 'z' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEU z 47 " --> pdb=" O PRO z 43 " (cutoff:3.500A) Processing helix chain 'z' and resid 82 through 87 Processing helix chain 'z' and resid 88 through 90 No H-bonds generated for 'chain 'z' and resid 88 through 90' Processing helix chain 'AA' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEUAA 47 " --> pdb=" O PROAA 43 " (cutoff:3.500A) Processing helix chain 'AA' and resid 82 through 87 Processing helix chain 'AA' and resid 88 through 90 No H-bonds generated for 'chain 'AA' and resid 88 through 90' Processing helix chain 'AB' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEUAB 47 " --> pdb=" O PROAB 43 " (cutoff:3.500A) Processing helix chain 'AB' and resid 82 through 87 Processing helix chain 'AB' and resid 88 through 90 No H-bonds generated for 'chain 'AB' and resid 88 through 90' Processing helix chain 'AC' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEUAC 47 " --> pdb=" O PROAC 43 " (cutoff:3.500A) Processing helix chain 'AC' and resid 82 through 87 Processing helix chain 'AC' and resid 88 through 90 No H-bonds generated for 'chain 'AC' and resid 88 through 90' Processing helix chain 'AD' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEUAD 47 " --> pdb=" O PROAD 43 " (cutoff:3.500A) Processing helix chain 'AD' and resid 82 through 87 Processing helix chain 'AD' and resid 88 through 90 No H-bonds generated for 'chain 'AD' and resid 88 through 90' Processing helix chain 'AE' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEUAE 47 " --> pdb=" O PROAE 43 " (cutoff:3.500A) Processing helix chain 'AE' and resid 82 through 87 Processing helix chain 'AE' and resid 88 through 90 No H-bonds generated for 'chain 'AE' and resid 88 through 90' Processing helix chain 'AF' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEUAF 47 " --> pdb=" O PROAF 43 " (cutoff:3.500A) Processing helix chain 'AF' and resid 82 through 87 Processing helix chain 'AF' and resid 88 through 90 No H-bonds generated for 'chain 'AF' and resid 88 through 90' Processing helix chain 'AG' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEUAG 47 " --> pdb=" O PROAG 43 " (cutoff:3.500A) Processing helix chain 'AG' and resid 82 through 87 Processing helix chain 'AG' and resid 88 through 90 No H-bonds generated for 'chain 'AG' and resid 88 through 90' Processing helix chain 'AH' and resid 42 through 55 removed outlier: 3.525A pdb=" N LEUAH 47 " --> pdb=" O PROAH 43 " (cutoff:3.500A) Processing helix chain 'AH' and resid 82 through 87 Processing helix chain 'AH' and resid 88 through 90 No H-bonds generated for 'chain 'AH' and resid 88 through 90' Processing helix chain 'AI' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEUAI 47 " --> pdb=" O PROAI 43 " (cutoff:3.500A) Processing helix chain 'AI' and resid 82 through 87 Processing helix chain 'AI' and resid 88 through 90 No H-bonds generated for 'chain 'AI' and resid 88 through 90' Processing helix chain 'AJ' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEUAJ 47 " --> pdb=" O PROAJ 43 " (cutoff:3.500A) Processing helix chain 'AJ' and resid 82 through 87 Processing helix chain 'AJ' and resid 88 through 90 No H-bonds generated for 'chain 'AJ' and resid 88 through 90' Processing helix chain 'AK' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEUAK 47 " --> pdb=" O PROAK 43 " (cutoff:3.500A) Processing helix chain 'AK' and resid 82 through 87 Processing helix chain 'AK' and resid 88 through 90 No H-bonds generated for 'chain 'AK' and resid 88 through 90' Processing helix chain 'AL' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEUAL 47 " --> pdb=" O PROAL 43 " (cutoff:3.500A) Processing helix chain 'AL' and resid 82 through 87 Processing helix chain 'AL' and resid 88 through 90 No H-bonds generated for 'chain 'AL' and resid 88 through 90' Processing helix chain 'AM' and resid 42 through 55 removed outlier: 3.526A pdb=" N LEUAM 47 " --> pdb=" O PROAM 43 " (cutoff:3.500A) Processing helix chain 'AM' and resid 82 through 87 Processing helix chain 'AM' and resid 88 through 90 No H-bonds generated for 'chain 'AM' and resid 88 through 90' Processing sheet with id= 1, first strand: chain 'A' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU A 10 " --> pdb=" O ARG A 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE A 20 " --> pdb=" O ALA A 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA A 8 " --> pdb=" O ILE A 20 " (cutoff:3.500A) Processing sheet with id= 2, first strand: chain 'A' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU A 10 " --> pdb=" O ARG A 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE A 20 " --> pdb=" O ALA A 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA A 8 " --> pdb=" O ILE A 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR A 5 " --> pdb=" O PHE A 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE A 97 " --> pdb=" O THR A 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS A 7 " --> pdb=" O ILE A 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE A 99 " --> pdb=" O LYS A 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR A 9 " --> pdb=" O ILE A 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU A 101 " --> pdb=" O TYR A 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU A 11 " --> pdb=" O GLU A 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG A 96 " --> pdb=" O ARG A 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG A 68 " --> pdb=" O ARG A 96 " (cutoff:3.500A) Processing sheet with id= 3, first strand: chain 'B' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU B 10 " --> pdb=" O ARG B 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE B 20 " --> pdb=" O ALA B 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA B 8 " --> pdb=" O ILE B 20 " (cutoff:3.500A) Processing sheet with id= 4, first strand: chain 'B' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU B 10 " --> pdb=" O ARG B 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE B 20 " --> pdb=" O ALA B 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA B 8 " --> pdb=" O ILE B 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR B 5 " --> pdb=" O PHE B 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE B 97 " --> pdb=" O THR B 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS B 7 " --> pdb=" O ILE B 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILE B 99 " --> pdb=" O LYS B 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR B 9 " --> pdb=" O ILE B 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU B 101 " --> pdb=" O TYR B 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU B 11 " --> pdb=" O GLU B 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG B 96 " --> pdb=" O ARG B 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG B 68 " --> pdb=" O ARG B 96 " (cutoff:3.500A) Processing sheet with id= 5, first strand: chain 'C' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU C 10 " --> pdb=" O ARG C 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE C 20 " --> pdb=" O ALA C 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA C 8 " --> pdb=" O ILE C 20 " (cutoff:3.500A) Processing sheet with id= 6, first strand: chain 'C' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU C 10 " --> pdb=" O ARG C 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE C 20 " --> pdb=" O ALA C 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA C 8 " --> pdb=" O ILE C 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR C 5 " --> pdb=" O PHE C 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE C 97 " --> pdb=" O THR C 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS C 7 " --> pdb=" O ILE C 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE C 99 " --> pdb=" O LYS C 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR C 9 " --> pdb=" O ILE C 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLU C 101 " --> pdb=" O TYR C 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU C 11 " --> pdb=" O GLU C 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG C 96 " --> pdb=" O ARG C 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARG C 68 " --> pdb=" O ARG C 96 " (cutoff:3.500A) Processing sheet with id= 7, first strand: chain 'D' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU D 10 " --> pdb=" O ARG D 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE D 20 " --> pdb=" O ALA D 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA D 8 " --> pdb=" O ILE D 20 " (cutoff:3.500A) Processing sheet with id= 8, first strand: chain 'D' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU D 10 " --> pdb=" O ARG D 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE D 20 " --> pdb=" O ALA D 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA D 8 " --> pdb=" O ILE D 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR D 5 " --> pdb=" O PHE D 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE D 97 " --> pdb=" O THR D 5 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N LYS D 7 " --> pdb=" O ILE D 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE D 99 " --> pdb=" O LYS D 7 " (cutoff:3.500A) removed outlier: 6.772A pdb=" N TYR D 9 " --> pdb=" O ILE D 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU D 101 " --> pdb=" O TYR D 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU D 11 " --> pdb=" O GLU D 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG D 96 " --> pdb=" O ARG D 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG D 68 " --> pdb=" O ARG D 96 " (cutoff:3.500A) Processing sheet with id= 9, first strand: chain 'E' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEU E 10 " --> pdb=" O ARG E 18 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N ILE E 20 " --> pdb=" O ALA E 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA E 8 " --> pdb=" O ILE E 20 " (cutoff:3.500A) Processing sheet with id= 10, first strand: chain 'E' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEU E 10 " --> pdb=" O ARG E 18 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N ILE E 20 " --> pdb=" O ALA E 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA E 8 " --> pdb=" O ILE E 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR E 5 " --> pdb=" O PHE E 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE E 97 " --> pdb=" O THR E 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS E 7 " --> pdb=" O ILE E 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILE E 99 " --> pdb=" O LYS E 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR E 9 " --> pdb=" O ILE E 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU E 101 " --> pdb=" O TYR E 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU E 11 " --> pdb=" O GLU E 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG E 96 " --> pdb=" O ARG E 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG E 68 " --> pdb=" O ARG E 96 " (cutoff:3.500A) Processing sheet with id= 11, first strand: chain 'F' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU F 10 " --> pdb=" O ARG F 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE F 20 " --> pdb=" O ALA F 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA F 8 " --> pdb=" O ILE F 20 " (cutoff:3.500A) Processing sheet with id= 12, first strand: chain 'F' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU F 10 " --> pdb=" O ARG F 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE F 20 " --> pdb=" O ALA F 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA F 8 " --> pdb=" O ILE F 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR F 5 " --> pdb=" O PHE F 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE F 97 " --> pdb=" O THR F 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS F 7 " --> pdb=" O ILE F 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE F 99 " --> pdb=" O LYS F 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR F 9 " --> pdb=" O ILE F 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLU F 101 " --> pdb=" O TYR F 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU F 11 " --> pdb=" O GLU F 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG F 96 " --> pdb=" O ARG F 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARG F 68 " --> pdb=" O ARG F 96 " (cutoff:3.500A) Processing sheet with id= 13, first strand: chain 'G' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU G 10 " --> pdb=" O ARG G 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE G 20 " --> pdb=" O ALA G 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA G 8 " --> pdb=" O ILE G 20 " (cutoff:3.500A) Processing sheet with id= 14, first strand: chain 'G' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU G 10 " --> pdb=" O ARG G 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE G 20 " --> pdb=" O ALA G 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA G 8 " --> pdb=" O ILE G 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THR G 5 " --> pdb=" O PHE G 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE G 97 " --> pdb=" O THR G 5 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N LYS G 7 " --> pdb=" O ILE G 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE G 99 " --> pdb=" O LYS G 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR G 9 " --> pdb=" O ILE G 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU G 101 " --> pdb=" O TYR G 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU G 11 " --> pdb=" O GLU G 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG G 96 " --> pdb=" O ARG G 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARG G 68 " --> pdb=" O ARG G 96 " (cutoff:3.500A) Processing sheet with id= 15, first strand: chain 'H' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU H 10 " --> pdb=" O ARG H 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE H 20 " --> pdb=" O ALA H 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA H 8 " --> pdb=" O ILE H 20 " (cutoff:3.500A) Processing sheet with id= 16, first strand: chain 'H' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU H 10 " --> pdb=" O ARG H 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE H 20 " --> pdb=" O ALA H 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA H 8 " --> pdb=" O ILE H 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR H 5 " --> pdb=" O PHE H 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE H 97 " --> pdb=" O THR H 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS H 7 " --> pdb=" O ILE H 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILE H 99 " --> pdb=" O LYS H 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR H 9 " --> pdb=" O ILE H 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU H 101 " --> pdb=" O TYR H 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU H 11 " --> pdb=" O GLU H 101 " (cutoff:3.500A) removed outlier: 8.005A pdb=" N ARG H 96 " --> pdb=" O ARG H 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARG H 68 " --> pdb=" O ARG H 96 " (cutoff:3.500A) Processing sheet with id= 17, first strand: chain 'I' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU I 10 " --> pdb=" O ARG I 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE I 20 " --> pdb=" O ALA I 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA I 8 " --> pdb=" O ILE I 20 " (cutoff:3.500A) Processing sheet with id= 18, first strand: chain 'I' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU I 10 " --> pdb=" O ARG I 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE I 20 " --> pdb=" O ALA I 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA I 8 " --> pdb=" O ILE I 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR I 5 " --> pdb=" O PHE I 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE I 97 " --> pdb=" O THR I 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS I 7 " --> pdb=" O ILE I 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE I 99 " --> pdb=" O LYS I 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR I 9 " --> pdb=" O ILE I 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLU I 101 " --> pdb=" O TYR I 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU I 11 " --> pdb=" O GLU I 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG I 96 " --> pdb=" O ARG I 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARG I 68 " --> pdb=" O ARG I 96 " (cutoff:3.500A) Processing sheet with id= 19, first strand: chain 'J' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU J 10 " --> pdb=" O ARG J 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE J 20 " --> pdb=" O ALA J 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA J 8 " --> pdb=" O ILE J 20 " (cutoff:3.500A) Processing sheet with id= 20, first strand: chain 'J' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU J 10 " --> pdb=" O ARG J 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE J 20 " --> pdb=" O ALA J 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA J 8 " --> pdb=" O ILE J 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR J 5 " --> pdb=" O PHE J 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE J 97 " --> pdb=" O THR J 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS J 7 " --> pdb=" O ILE J 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE J 99 " --> pdb=" O LYS J 7 " (cutoff:3.500A) removed outlier: 6.772A pdb=" N TYR J 9 " --> pdb=" O ILE J 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU J 101 " --> pdb=" O TYR J 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU J 11 " --> pdb=" O GLU J 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG J 96 " --> pdb=" O ARG J 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG J 68 " --> pdb=" O ARG J 96 " (cutoff:3.500A) Processing sheet with id= 21, first strand: chain 'K' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU K 10 " --> pdb=" O ARG K 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE K 20 " --> pdb=" O ALA K 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA K 8 " --> pdb=" O ILE K 20 " (cutoff:3.500A) Processing sheet with id= 22, first strand: chain 'K' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU K 10 " --> pdb=" O ARG K 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE K 20 " --> pdb=" O ALA K 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA K 8 " --> pdb=" O ILE K 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR K 5 " --> pdb=" O PHE K 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE K 97 " --> pdb=" O THR K 5 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N LYS K 7 " --> pdb=" O ILE K 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILE K 99 " --> pdb=" O LYS K 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR K 9 " --> pdb=" O ILE K 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU K 101 " --> pdb=" O TYR K 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU K 11 " --> pdb=" O GLU K 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG K 96 " --> pdb=" O ARG K 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG K 68 " --> pdb=" O ARG K 96 " (cutoff:3.500A) Processing sheet with id= 23, first strand: chain 'L' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU L 10 " --> pdb=" O ARG L 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE L 20 " --> pdb=" O ALA L 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA L 8 " --> pdb=" O ILE L 20 " (cutoff:3.500A) Processing sheet with id= 24, first strand: chain 'L' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU L 10 " --> pdb=" O ARG L 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE L 20 " --> pdb=" O ALA L 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA L 8 " --> pdb=" O ILE L 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR L 5 " --> pdb=" O PHE L 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE L 97 " --> pdb=" O THR L 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS L 7 " --> pdb=" O ILE L 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE L 99 " --> pdb=" O LYS L 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR L 9 " --> pdb=" O ILE L 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLU L 101 " --> pdb=" O TYR L 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU L 11 " --> pdb=" O GLU L 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG L 96 " --> pdb=" O ARG L 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARG L 68 " --> pdb=" O ARG L 96 " (cutoff:3.500A) Processing sheet with id= 25, first strand: chain 'M' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU M 10 " --> pdb=" O ARG M 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE M 20 " --> pdb=" O ALA M 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA M 8 " --> pdb=" O ILE M 20 " (cutoff:3.500A) Processing sheet with id= 26, first strand: chain 'M' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU M 10 " --> pdb=" O ARG M 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE M 20 " --> pdb=" O ALA M 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA M 8 " --> pdb=" O ILE M 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THR M 5 " --> pdb=" O PHE M 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE M 97 " --> pdb=" O THR M 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS M 7 " --> pdb=" O ILE M 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE M 99 " --> pdb=" O LYS M 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR M 9 " --> pdb=" O ILE M 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU M 101 " --> pdb=" O TYR M 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU M 11 " --> pdb=" O GLU M 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG M 96 " --> pdb=" O ARG M 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARG M 68 " --> pdb=" O ARG M 96 " (cutoff:3.500A) Processing sheet with id= 27, first strand: chain 'N' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEU N 10 " --> pdb=" O ARG N 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE N 20 " --> pdb=" O ALA N 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA N 8 " --> pdb=" O ILE N 20 " (cutoff:3.500A) Processing sheet with id= 28, first strand: chain 'N' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEU N 10 " --> pdb=" O ARG N 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE N 20 " --> pdb=" O ALA N 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA N 8 " --> pdb=" O ILE N 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THR N 5 " --> pdb=" O PHE N 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE N 97 " --> pdb=" O THR N 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS N 7 " --> pdb=" O ILE N 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILE N 99 " --> pdb=" O LYS N 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR N 9 " --> pdb=" O ILE N 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU N 101 " --> pdb=" O TYR N 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU N 11 " --> pdb=" O GLU N 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG N 96 " --> pdb=" O ARG N 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG N 68 " --> pdb=" O ARG N 96 " (cutoff:3.500A) Processing sheet with id= 29, first strand: chain 'O' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU O 10 " --> pdb=" O ARG O 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE O 20 " --> pdb=" O ALA O 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA O 8 " --> pdb=" O ILE O 20 " (cutoff:3.500A) Processing sheet with id= 30, first strand: chain 'O' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU O 10 " --> pdb=" O ARG O 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE O 20 " --> pdb=" O ALA O 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA O 8 " --> pdb=" O ILE O 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR O 5 " --> pdb=" O PHE O 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE O 97 " --> pdb=" O THR O 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS O 7 " --> pdb=" O ILE O 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE O 99 " --> pdb=" O LYS O 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR O 9 " --> pdb=" O ILE O 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLU O 101 " --> pdb=" O TYR O 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU O 11 " --> pdb=" O GLU O 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG O 96 " --> pdb=" O ARG O 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARG O 68 " --> pdb=" O ARG O 96 " (cutoff:3.500A) Processing sheet with id= 31, first strand: chain 'P' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU P 10 " --> pdb=" O ARG P 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE P 20 " --> pdb=" O ALA P 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA P 8 " --> pdb=" O ILE P 20 " (cutoff:3.500A) Processing sheet with id= 32, first strand: chain 'P' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU P 10 " --> pdb=" O ARG P 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE P 20 " --> pdb=" O ALA P 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA P 8 " --> pdb=" O ILE P 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THR P 5 " --> pdb=" O PHE P 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE P 97 " --> pdb=" O THR P 5 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N LYS P 7 " --> pdb=" O ILE P 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE P 99 " --> pdb=" O LYS P 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR P 9 " --> pdb=" O ILE P 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU P 101 " --> pdb=" O TYR P 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU P 11 " --> pdb=" O GLU P 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG P 96 " --> pdb=" O ARG P 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG P 68 " --> pdb=" O ARG P 96 " (cutoff:3.500A) Processing sheet with id= 33, first strand: chain 'Q' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU Q 10 " --> pdb=" O ARG Q 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE Q 20 " --> pdb=" O ALA Q 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA Q 8 " --> pdb=" O ILE Q 20 " (cutoff:3.500A) Processing sheet with id= 34, first strand: chain 'Q' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU Q 10 " --> pdb=" O ARG Q 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE Q 20 " --> pdb=" O ALA Q 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA Q 8 " --> pdb=" O ILE Q 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR Q 5 " --> pdb=" O PHE Q 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE Q 97 " --> pdb=" O THR Q 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS Q 7 " --> pdb=" O ILE Q 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILE Q 99 " --> pdb=" O LYS Q 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR Q 9 " --> pdb=" O ILE Q 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU Q 101 " --> pdb=" O TYR Q 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU Q 11 " --> pdb=" O GLU Q 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG Q 96 " --> pdb=" O ARG Q 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG Q 68 " --> pdb=" O ARG Q 96 " (cutoff:3.500A) Processing sheet with id= 35, first strand: chain 'R' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU R 10 " --> pdb=" O ARG R 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE R 20 " --> pdb=" O ALA R 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA R 8 " --> pdb=" O ILE R 20 " (cutoff:3.500A) Processing sheet with id= 36, first strand: chain 'R' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU R 10 " --> pdb=" O ARG R 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE R 20 " --> pdb=" O ALA R 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA R 8 " --> pdb=" O ILE R 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR R 5 " --> pdb=" O PHE R 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE R 97 " --> pdb=" O THR R 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS R 7 " --> pdb=" O ILE R 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE R 99 " --> pdb=" O LYS R 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR R 9 " --> pdb=" O ILE R 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLU R 101 " --> pdb=" O TYR R 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU R 11 " --> pdb=" O GLU R 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG R 96 " --> pdb=" O ARG R 68 " (cutoff:3.500A) removed outlier: 4.833A pdb=" N ARG R 68 " --> pdb=" O ARG R 96 " (cutoff:3.500A) Processing sheet with id= 37, first strand: chain 'S' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU S 10 " --> pdb=" O ARG S 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE S 20 " --> pdb=" O ALA S 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA S 8 " --> pdb=" O ILE S 20 " (cutoff:3.500A) Processing sheet with id= 38, first strand: chain 'S' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU S 10 " --> pdb=" O ARG S 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE S 20 " --> pdb=" O ALA S 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA S 8 " --> pdb=" O ILE S 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR S 5 " --> pdb=" O PHE S 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE S 97 " --> pdb=" O THR S 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS S 7 " --> pdb=" O ILE S 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE S 99 " --> pdb=" O LYS S 7 " (cutoff:3.500A) removed outlier: 6.772A pdb=" N TYR S 9 " --> pdb=" O ILE S 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU S 101 " --> pdb=" O TYR S 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU S 11 " --> pdb=" O GLU S 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG S 96 " --> pdb=" O ARG S 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG S 68 " --> pdb=" O ARG S 96 " (cutoff:3.500A) Processing sheet with id= 39, first strand: chain 'T' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU T 10 " --> pdb=" O ARG T 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE T 20 " --> pdb=" O ALA T 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA T 8 " --> pdb=" O ILE T 20 " (cutoff:3.500A) Processing sheet with id= 40, first strand: chain 'T' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU T 10 " --> pdb=" O ARG T 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE T 20 " --> pdb=" O ALA T 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA T 8 " --> pdb=" O ILE T 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THR T 5 " --> pdb=" O PHE T 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE T 97 " --> pdb=" O THR T 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS T 7 " --> pdb=" O ILE T 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILE T 99 " --> pdb=" O LYS T 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR T 9 " --> pdb=" O ILE T 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU T 101 " --> pdb=" O TYR T 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU T 11 " --> pdb=" O GLU T 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG T 96 " --> pdb=" O ARG T 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARG T 68 " --> pdb=" O ARG T 96 " (cutoff:3.500A) Processing sheet with id= 41, first strand: chain 'U' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU U 10 " --> pdb=" O ARG U 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE U 20 " --> pdb=" O ALA U 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA U 8 " --> pdb=" O ILE U 20 " (cutoff:3.500A) Processing sheet with id= 42, first strand: chain 'U' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU U 10 " --> pdb=" O ARG U 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE U 20 " --> pdb=" O ALA U 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA U 8 " --> pdb=" O ILE U 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR U 5 " --> pdb=" O PHE U 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE U 97 " --> pdb=" O THR U 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS U 7 " --> pdb=" O ILE U 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE U 99 " --> pdb=" O LYS U 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR U 9 " --> pdb=" O ILE U 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLU U 101 " --> pdb=" O TYR U 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU U 11 " --> pdb=" O GLU U 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG U 96 " --> pdb=" O ARG U 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARG U 68 " --> pdb=" O ARG U 96 " (cutoff:3.500A) Processing sheet with id= 43, first strand: chain 'V' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU V 10 " --> pdb=" O ARG V 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE V 20 " --> pdb=" O ALA V 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA V 8 " --> pdb=" O ILE V 20 " (cutoff:3.500A) Processing sheet with id= 44, first strand: chain 'V' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU V 10 " --> pdb=" O ARG V 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE V 20 " --> pdb=" O ALA V 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA V 8 " --> pdb=" O ILE V 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THR V 5 " --> pdb=" O PHE V 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE V 97 " --> pdb=" O THR V 5 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N LYS V 7 " --> pdb=" O ILE V 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE V 99 " --> pdb=" O LYS V 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR V 9 " --> pdb=" O ILE V 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU V 101 " --> pdb=" O TYR V 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU V 11 " --> pdb=" O GLU V 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG V 96 " --> pdb=" O ARG V 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG V 68 " --> pdb=" O ARG V 96 " (cutoff:3.500A) Processing sheet with id= 45, first strand: chain 'W' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEU W 10 " --> pdb=" O ARG W 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE W 20 " --> pdb=" O ALA W 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA W 8 " --> pdb=" O ILE W 20 " (cutoff:3.500A) Processing sheet with id= 46, first strand: chain 'W' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEU W 10 " --> pdb=" O ARG W 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE W 20 " --> pdb=" O ALA W 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA W 8 " --> pdb=" O ILE W 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR W 5 " --> pdb=" O PHE W 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE W 97 " --> pdb=" O THR W 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS W 7 " --> pdb=" O ILE W 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE W 99 " --> pdb=" O LYS W 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR W 9 " --> pdb=" O ILE W 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU W 101 " --> pdb=" O TYR W 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU W 11 " --> pdb=" O GLU W 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG W 96 " --> pdb=" O ARG W 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG W 68 " --> pdb=" O ARG W 96 " (cutoff:3.500A) Processing sheet with id= 47, first strand: chain 'X' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU X 10 " --> pdb=" O ARG X 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE X 20 " --> pdb=" O ALA X 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA X 8 " --> pdb=" O ILE X 20 " (cutoff:3.500A) Processing sheet with id= 48, first strand: chain 'X' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU X 10 " --> pdb=" O ARG X 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE X 20 " --> pdb=" O ALA X 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA X 8 " --> pdb=" O ILE X 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR X 5 " --> pdb=" O PHE X 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE X 97 " --> pdb=" O THR X 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS X 7 " --> pdb=" O ILE X 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE X 99 " --> pdb=" O LYS X 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR X 9 " --> pdb=" O ILE X 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLU X 101 " --> pdb=" O TYR X 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU X 11 " --> pdb=" O GLU X 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG X 96 " --> pdb=" O ARG X 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARG X 68 " --> pdb=" O ARG X 96 " (cutoff:3.500A) Processing sheet with id= 49, first strand: chain 'Y' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU Y 10 " --> pdb=" O ARG Y 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE Y 20 " --> pdb=" O ALA Y 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA Y 8 " --> pdb=" O ILE Y 20 " (cutoff:3.500A) Processing sheet with id= 50, first strand: chain 'Y' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU Y 10 " --> pdb=" O ARG Y 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE Y 20 " --> pdb=" O ALA Y 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA Y 8 " --> pdb=" O ILE Y 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR Y 5 " --> pdb=" O PHE Y 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE Y 97 " --> pdb=" O THR Y 5 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N LYS Y 7 " --> pdb=" O ILE Y 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILE Y 99 " --> pdb=" O LYS Y 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR Y 9 " --> pdb=" O ILE Y 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU Y 101 " --> pdb=" O TYR Y 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU Y 11 " --> pdb=" O GLU Y 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG Y 96 " --> pdb=" O ARG Y 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG Y 68 " --> pdb=" O ARG Y 96 " (cutoff:3.500A) Processing sheet with id= 51, first strand: chain 'Z' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU Z 10 " --> pdb=" O ARG Z 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE Z 20 " --> pdb=" O ALA Z 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA Z 8 " --> pdb=" O ILE Z 20 " (cutoff:3.500A) Processing sheet with id= 52, first strand: chain 'Z' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU Z 10 " --> pdb=" O ARG Z 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE Z 20 " --> pdb=" O ALA Z 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA Z 8 " --> pdb=" O ILE Z 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THR Z 5 " --> pdb=" O PHE Z 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE Z 97 " --> pdb=" O THR Z 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS Z 7 " --> pdb=" O ILE Z 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILE Z 99 " --> pdb=" O LYS Z 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR Z 9 " --> pdb=" O ILE Z 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU Z 101 " --> pdb=" O TYR Z 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU Z 11 " --> pdb=" O GLU Z 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG Z 96 " --> pdb=" O ARG Z 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG Z 68 " --> pdb=" O ARG Z 96 " (cutoff:3.500A) Processing sheet with id= 53, first strand: chain '0' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU 0 10 " --> pdb=" O ARG 0 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE 0 20 " --> pdb=" O ALA 0 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA 0 8 " --> pdb=" O ILE 0 20 " (cutoff:3.500A) Processing sheet with id= 54, first strand: chain '0' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU 0 10 " --> pdb=" O ARG 0 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE 0 20 " --> pdb=" O ALA 0 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA 0 8 " --> pdb=" O ILE 0 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR 0 5 " --> pdb=" O PHE 0 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE 0 97 " --> pdb=" O THR 0 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS 0 7 " --> pdb=" O ILE 0 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE 0 99 " --> pdb=" O LYS 0 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR 0 9 " --> pdb=" O ILE 0 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLU 0 101 " --> pdb=" O TYR 0 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU 0 11 " --> pdb=" O GLU 0 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG 0 96 " --> pdb=" O ARG 0 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG 0 68 " --> pdb=" O ARG 0 96 " (cutoff:3.500A) Processing sheet with id= 55, first strand: chain '1' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU 1 10 " --> pdb=" O ARG 1 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE 1 20 " --> pdb=" O ALA 1 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA 1 8 " --> pdb=" O ILE 1 20 " (cutoff:3.500A) Processing sheet with id= 56, first strand: chain '1' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU 1 10 " --> pdb=" O ARG 1 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE 1 20 " --> pdb=" O ALA 1 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA 1 8 " --> pdb=" O ILE 1 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR 1 5 " --> pdb=" O PHE 1 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE 1 97 " --> pdb=" O THR 1 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS 1 7 " --> pdb=" O ILE 1 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE 1 99 " --> pdb=" O LYS 1 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR 1 9 " --> pdb=" O ILE 1 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU 1 101 " --> pdb=" O TYR 1 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU 1 11 " --> pdb=" O GLU 1 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG 1 96 " --> pdb=" O ARG 1 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG 1 68 " --> pdb=" O ARG 1 96 " (cutoff:3.500A) Processing sheet with id= 57, first strand: chain '2' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU 2 10 " --> pdb=" O ARG 2 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE 2 20 " --> pdb=" O ALA 2 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA 2 8 " --> pdb=" O ILE 2 20 " (cutoff:3.500A) Processing sheet with id= 58, first strand: chain '2' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU 2 10 " --> pdb=" O ARG 2 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE 2 20 " --> pdb=" O ALA 2 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA 2 8 " --> pdb=" O ILE 2 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR 2 5 " --> pdb=" O PHE 2 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE 2 97 " --> pdb=" O THR 2 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS 2 7 " --> pdb=" O ILE 2 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILE 2 99 " --> pdb=" O LYS 2 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR 2 9 " --> pdb=" O ILE 2 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU 2 101 " --> pdb=" O TYR 2 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU 2 11 " --> pdb=" O GLU 2 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG 2 96 " --> pdb=" O ARG 2 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG 2 68 " --> pdb=" O ARG 2 96 " (cutoff:3.500A) Processing sheet with id= 59, first strand: chain '3' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU 3 10 " --> pdb=" O ARG 3 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE 3 20 " --> pdb=" O ALA 3 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA 3 8 " --> pdb=" O ILE 3 20 " (cutoff:3.500A) Processing sheet with id= 60, first strand: chain '3' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU 3 10 " --> pdb=" O ARG 3 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE 3 20 " --> pdb=" O ALA 3 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA 3 8 " --> pdb=" O ILE 3 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR 3 5 " --> pdb=" O PHE 3 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE 3 97 " --> pdb=" O THR 3 5 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N LYS 3 7 " --> pdb=" O ILE 3 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE 3 99 " --> pdb=" O LYS 3 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR 3 9 " --> pdb=" O ILE 3 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLU 3 101 " --> pdb=" O TYR 3 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU 3 11 " --> pdb=" O GLU 3 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG 3 96 " --> pdb=" O ARG 3 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARG 3 68 " --> pdb=" O ARG 3 96 " (cutoff:3.500A) Processing sheet with id= 61, first strand: chain '4' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU 4 10 " --> pdb=" O ARG 4 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE 4 20 " --> pdb=" O ALA 4 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA 4 8 " --> pdb=" O ILE 4 20 " (cutoff:3.500A) Processing sheet with id= 62, first strand: chain '4' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU 4 10 " --> pdb=" O ARG 4 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE 4 20 " --> pdb=" O ALA 4 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA 4 8 " --> pdb=" O ILE 4 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR 4 5 " --> pdb=" O PHE 4 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE 4 97 " --> pdb=" O THR 4 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS 4 7 " --> pdb=" O ILE 4 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE 4 99 " --> pdb=" O LYS 4 7 " (cutoff:3.500A) removed outlier: 6.772A pdb=" N TYR 4 9 " --> pdb=" O ILE 4 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU 4 101 " --> pdb=" O TYR 4 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU 4 11 " --> pdb=" O GLU 4 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG 4 96 " --> pdb=" O ARG 4 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG 4 68 " --> pdb=" O ARG 4 96 " (cutoff:3.500A) Processing sheet with id= 63, first strand: chain '5' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU 5 10 " --> pdb=" O ARG 5 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE 5 20 " --> pdb=" O ALA 5 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA 5 8 " --> pdb=" O ILE 5 20 " (cutoff:3.500A) Processing sheet with id= 64, first strand: chain '5' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU 5 10 " --> pdb=" O ARG 5 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE 5 20 " --> pdb=" O ALA 5 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA 5 8 " --> pdb=" O ILE 5 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR 5 5 " --> pdb=" O PHE 5 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE 5 97 " --> pdb=" O THR 5 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS 5 7 " --> pdb=" O ILE 5 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE 5 99 " --> pdb=" O LYS 5 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR 5 9 " --> pdb=" O ILE 5 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU 5 101 " --> pdb=" O TYR 5 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU 5 11 " --> pdb=" O GLU 5 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG 5 96 " --> pdb=" O ARG 5 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARG 5 68 " --> pdb=" O ARG 5 96 " (cutoff:3.500A) Processing sheet with id= 65, first strand: chain '6' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEU 6 10 " --> pdb=" O ARG 6 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE 6 20 " --> pdb=" O ALA 6 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA 6 8 " --> pdb=" O ILE 6 20 " (cutoff:3.500A) Processing sheet with id= 66, first strand: chain '6' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEU 6 10 " --> pdb=" O ARG 6 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE 6 20 " --> pdb=" O ALA 6 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA 6 8 " --> pdb=" O ILE 6 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR 6 5 " --> pdb=" O PHE 6 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE 6 97 " --> pdb=" O THR 6 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS 6 7 " --> pdb=" O ILE 6 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE 6 99 " --> pdb=" O LYS 6 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR 6 9 " --> pdb=" O ILE 6 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLU 6 101 " --> pdb=" O TYR 6 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU 6 11 " --> pdb=" O GLU 6 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG 6 96 " --> pdb=" O ARG 6 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARG 6 68 " --> pdb=" O ARG 6 96 " (cutoff:3.500A) Processing sheet with id= 67, first strand: chain '7' and resid 17 through 20 removed outlier: 6.741A pdb=" N LEU 7 10 " --> pdb=" O ARG 7 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE 7 20 " --> pdb=" O ALA 7 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA 7 8 " --> pdb=" O ILE 7 20 " (cutoff:3.500A) Processing sheet with id= 68, first strand: chain '7' and resid 17 through 20 removed outlier: 6.741A pdb=" N LEU 7 10 " --> pdb=" O ARG 7 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE 7 20 " --> pdb=" O ALA 7 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA 7 8 " --> pdb=" O ILE 7 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THR 7 5 " --> pdb=" O PHE 7 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE 7 97 " --> pdb=" O THR 7 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS 7 7 " --> pdb=" O ILE 7 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE 7 99 " --> pdb=" O LYS 7 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR 7 9 " --> pdb=" O ILE 7 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU 7 101 " --> pdb=" O TYR 7 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU 7 11 " --> pdb=" O GLU 7 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG 7 96 " --> pdb=" O ARG 7 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG 7 68 " --> pdb=" O ARG 7 96 " (cutoff:3.500A) Processing sheet with id= 69, first strand: chain '8' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU 8 10 " --> pdb=" O ARG 8 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE 8 20 " --> pdb=" O ALA 8 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA 8 8 " --> pdb=" O ILE 8 20 " (cutoff:3.500A) Processing sheet with id= 70, first strand: chain '8' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU 8 10 " --> pdb=" O ARG 8 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE 8 20 " --> pdb=" O ALA 8 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA 8 8 " --> pdb=" O ILE 8 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THR 8 5 " --> pdb=" O PHE 8 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE 8 97 " --> pdb=" O THR 8 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS 8 7 " --> pdb=" O ILE 8 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE 8 99 " --> pdb=" O LYS 8 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR 8 9 " --> pdb=" O ILE 8 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU 8 101 " --> pdb=" O TYR 8 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU 8 11 " --> pdb=" O GLU 8 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG 8 96 " --> pdb=" O ARG 8 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG 8 68 " --> pdb=" O ARG 8 96 " (cutoff:3.500A) Processing sheet with id= 71, first strand: chain '9' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU 9 10 " --> pdb=" O ARG 9 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE 9 20 " --> pdb=" O ALA 9 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA 9 8 " --> pdb=" O ILE 9 20 " (cutoff:3.500A) Processing sheet with id= 72, first strand: chain '9' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU 9 10 " --> pdb=" O ARG 9 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE 9 20 " --> pdb=" O ALA 9 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA 9 8 " --> pdb=" O ILE 9 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR 9 5 " --> pdb=" O PHE 9 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE 9 97 " --> pdb=" O THR 9 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS 9 7 " --> pdb=" O ILE 9 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE 9 99 " --> pdb=" O LYS 9 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR 9 9 " --> pdb=" O ILE 9 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLU 9 101 " --> pdb=" O TYR 9 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU 9 11 " --> pdb=" O GLU 9 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG 9 96 " --> pdb=" O ARG 9 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARG 9 68 " --> pdb=" O ARG 9 96 " (cutoff:3.500A) Processing sheet with id= 73, first strand: chain 'a' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU a 10 " --> pdb=" O ARG a 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE a 20 " --> pdb=" O ALA a 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA a 8 " --> pdb=" O ILE a 20 " (cutoff:3.500A) Processing sheet with id= 74, first strand: chain 'a' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU a 10 " --> pdb=" O ARG a 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE a 20 " --> pdb=" O ALA a 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA a 8 " --> pdb=" O ILE a 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR a 5 " --> pdb=" O PHE a 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE a 97 " --> pdb=" O THR a 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS a 7 " --> pdb=" O ILE a 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE a 99 " --> pdb=" O LYS a 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR a 9 " --> pdb=" O ILE a 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU a 101 " --> pdb=" O TYR a 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU a 11 " --> pdb=" O GLU a 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG a 96 " --> pdb=" O ARG a 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG a 68 " --> pdb=" O ARG a 96 " (cutoff:3.500A) Processing sheet with id= 75, first strand: chain 'b' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU b 10 " --> pdb=" O ARG b 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE b 20 " --> pdb=" O ALA b 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA b 8 " --> pdb=" O ILE b 20 " (cutoff:3.500A) Processing sheet with id= 76, first strand: chain 'b' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU b 10 " --> pdb=" O ARG b 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE b 20 " --> pdb=" O ALA b 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA b 8 " --> pdb=" O ILE b 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR b 5 " --> pdb=" O PHE b 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE b 97 " --> pdb=" O THR b 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS b 7 " --> pdb=" O ILE b 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILE b 99 " --> pdb=" O LYS b 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR b 9 " --> pdb=" O ILE b 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU b 101 " --> pdb=" O TYR b 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU b 11 " --> pdb=" O GLU b 101 " (cutoff:3.500A) removed outlier: 8.005A pdb=" N ARG b 96 " --> pdb=" O ARG b 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG b 68 " --> pdb=" O ARG b 96 " (cutoff:3.500A) Processing sheet with id= 77, first strand: chain 'c' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEU c 10 " --> pdb=" O ARG c 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE c 20 " --> pdb=" O ALA c 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA c 8 " --> pdb=" O ILE c 20 " (cutoff:3.500A) Processing sheet with id= 78, first strand: chain 'c' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEU c 10 " --> pdb=" O ARG c 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE c 20 " --> pdb=" O ALA c 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA c 8 " --> pdb=" O ILE c 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THR c 5 " --> pdb=" O PHE c 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE c 97 " --> pdb=" O THR c 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS c 7 " --> pdb=" O ILE c 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE c 99 " --> pdb=" O LYS c 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR c 9 " --> pdb=" O ILE c 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLU c 101 " --> pdb=" O TYR c 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU c 11 " --> pdb=" O GLU c 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG c 96 " --> pdb=" O ARG c 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARG c 68 " --> pdb=" O ARG c 96 " (cutoff:3.500A) Processing sheet with id= 79, first strand: chain 'd' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU d 10 " --> pdb=" O ARG d 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE d 20 " --> pdb=" O ALA d 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA d 8 " --> pdb=" O ILE d 20 " (cutoff:3.500A) Processing sheet with id= 80, first strand: chain 'd' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU d 10 " --> pdb=" O ARG d 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE d 20 " --> pdb=" O ALA d 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA d 8 " --> pdb=" O ILE d 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR d 5 " --> pdb=" O PHE d 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE d 97 " --> pdb=" O THR d 5 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N LYS d 7 " --> pdb=" O ILE d 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE d 99 " --> pdb=" O LYS d 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR d 9 " --> pdb=" O ILE d 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU d 101 " --> pdb=" O TYR d 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU d 11 " --> pdb=" O GLU d 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG d 96 " --> pdb=" O ARG d 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG d 68 " --> pdb=" O ARG d 96 " (cutoff:3.500A) Processing sheet with id= 81, first strand: chain 'e' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEU e 10 " --> pdb=" O ARG e 18 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N ILE e 20 " --> pdb=" O ALA e 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA e 8 " --> pdb=" O ILE e 20 " (cutoff:3.500A) Processing sheet with id= 82, first strand: chain 'e' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEU e 10 " --> pdb=" O ARG e 18 " (cutoff:3.500A) removed outlier: 4.409A pdb=" N ILE e 20 " --> pdb=" O ALA e 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA e 8 " --> pdb=" O ILE e 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR e 5 " --> pdb=" O PHE e 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE e 97 " --> pdb=" O THR e 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS e 7 " --> pdb=" O ILE e 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE e 99 " --> pdb=" O LYS e 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR e 9 " --> pdb=" O ILE e 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU e 101 " --> pdb=" O TYR e 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU e 11 " --> pdb=" O GLU e 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG e 96 " --> pdb=" O ARG e 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG e 68 " --> pdb=" O ARG e 96 " (cutoff:3.500A) Processing sheet with id= 83, first strand: chain 'f' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU f 10 " --> pdb=" O ARG f 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE f 20 " --> pdb=" O ALA f 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA f 8 " --> pdb=" O ILE f 20 " (cutoff:3.500A) Processing sheet with id= 84, first strand: chain 'f' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU f 10 " --> pdb=" O ARG f 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE f 20 " --> pdb=" O ALA f 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA f 8 " --> pdb=" O ILE f 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR f 5 " --> pdb=" O PHE f 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE f 97 " --> pdb=" O THR f 5 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N LYS f 7 " --> pdb=" O ILE f 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE f 99 " --> pdb=" O LYS f 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR f 9 " --> pdb=" O ILE f 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLU f 101 " --> pdb=" O TYR f 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU f 11 " --> pdb=" O GLU f 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG f 96 " --> pdb=" O ARG f 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARG f 68 " --> pdb=" O ARG f 96 " (cutoff:3.500A) Processing sheet with id= 85, first strand: chain 'g' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU g 10 " --> pdb=" O ARG g 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE g 20 " --> pdb=" O ALA g 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA g 8 " --> pdb=" O ILE g 20 " (cutoff:3.500A) Processing sheet with id= 86, first strand: chain 'g' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU g 10 " --> pdb=" O ARG g 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE g 20 " --> pdb=" O ALA g 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA g 8 " --> pdb=" O ILE g 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR g 5 " --> pdb=" O PHE g 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE g 97 " --> pdb=" O THR g 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS g 7 " --> pdb=" O ILE g 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE g 99 " --> pdb=" O LYS g 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR g 9 " --> pdb=" O ILE g 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU g 101 " --> pdb=" O TYR g 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU g 11 " --> pdb=" O GLU g 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG g 96 " --> pdb=" O ARG g 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG g 68 " --> pdb=" O ARG g 96 " (cutoff:3.500A) Processing sheet with id= 87, first strand: chain 'h' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEU h 10 " --> pdb=" O ARG h 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE h 20 " --> pdb=" O ALA h 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA h 8 " --> pdb=" O ILE h 20 " (cutoff:3.500A) Processing sheet with id= 88, first strand: chain 'h' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEU h 10 " --> pdb=" O ARG h 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE h 20 " --> pdb=" O ALA h 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA h 8 " --> pdb=" O ILE h 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR h 5 " --> pdb=" O PHE h 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE h 97 " --> pdb=" O THR h 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS h 7 " --> pdb=" O ILE h 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILE h 99 " --> pdb=" O LYS h 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR h 9 " --> pdb=" O ILE h 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU h 101 " --> pdb=" O TYR h 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU h 11 " --> pdb=" O GLU h 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG h 96 " --> pdb=" O ARG h 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG h 68 " --> pdb=" O ARG h 96 " (cutoff:3.500A) Processing sheet with id= 89, first strand: chain 'i' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU i 10 " --> pdb=" O ARG i 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE i 20 " --> pdb=" O ALA i 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA i 8 " --> pdb=" O ILE i 20 " (cutoff:3.500A) Processing sheet with id= 90, first strand: chain 'i' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU i 10 " --> pdb=" O ARG i 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE i 20 " --> pdb=" O ALA i 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA i 8 " --> pdb=" O ILE i 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR i 5 " --> pdb=" O PHE i 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE i 97 " --> pdb=" O THR i 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS i 7 " --> pdb=" O ILE i 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE i 99 " --> pdb=" O LYS i 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR i 9 " --> pdb=" O ILE i 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLU i 101 " --> pdb=" O TYR i 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU i 11 " --> pdb=" O GLU i 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG i 96 " --> pdb=" O ARG i 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARG i 68 " --> pdb=" O ARG i 96 " (cutoff:3.500A) Processing sheet with id= 91, first strand: chain 'j' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU j 10 " --> pdb=" O ARG j 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE j 20 " --> pdb=" O ALA j 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA j 8 " --> pdb=" O ILE j 20 " (cutoff:3.500A) Processing sheet with id= 92, first strand: chain 'j' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU j 10 " --> pdb=" O ARG j 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE j 20 " --> pdb=" O ALA j 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA j 8 " --> pdb=" O ILE j 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR j 5 " --> pdb=" O PHE j 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE j 97 " --> pdb=" O THR j 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS j 7 " --> pdb=" O ILE j 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE j 99 " --> pdb=" O LYS j 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR j 9 " --> pdb=" O ILE j 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU j 101 " --> pdb=" O TYR j 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU j 11 " --> pdb=" O GLU j 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG j 96 " --> pdb=" O ARG j 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG j 68 " --> pdb=" O ARG j 96 " (cutoff:3.500A) Processing sheet with id= 93, first strand: chain 'k' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU k 10 " --> pdb=" O ARG k 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE k 20 " --> pdb=" O ALA k 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA k 8 " --> pdb=" O ILE k 20 " (cutoff:3.500A) Processing sheet with id= 94, first strand: chain 'k' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU k 10 " --> pdb=" O ARG k 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE k 20 " --> pdb=" O ALA k 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA k 8 " --> pdb=" O ILE k 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR k 5 " --> pdb=" O PHE k 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE k 97 " --> pdb=" O THR k 5 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N LYS k 7 " --> pdb=" O ILE k 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE k 99 " --> pdb=" O LYS k 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR k 9 " --> pdb=" O ILE k 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU k 101 " --> pdb=" O TYR k 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU k 11 " --> pdb=" O GLU k 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG k 96 " --> pdb=" O ARG k 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG k 68 " --> pdb=" O ARG k 96 " (cutoff:3.500A) Processing sheet with id= 95, first strand: chain 'l' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU l 10 " --> pdb=" O ARG l 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE l 20 " --> pdb=" O ALA l 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA l 8 " --> pdb=" O ILE l 20 " (cutoff:3.500A) Processing sheet with id= 96, first strand: chain 'l' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU l 10 " --> pdb=" O ARG l 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE l 20 " --> pdb=" O ALA l 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA l 8 " --> pdb=" O ILE l 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THR l 5 " --> pdb=" O PHE l 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE l 97 " --> pdb=" O THR l 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS l 7 " --> pdb=" O ILE l 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE l 99 " --> pdb=" O LYS l 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR l 9 " --> pdb=" O ILE l 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLU l 101 " --> pdb=" O TYR l 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU l 11 " --> pdb=" O GLU l 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG l 96 " --> pdb=" O ARG l 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARG l 68 " --> pdb=" O ARG l 96 " (cutoff:3.500A) Processing sheet with id= 97, first strand: chain 'm' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU m 10 " --> pdb=" O ARG m 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE m 20 " --> pdb=" O ALA m 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA m 8 " --> pdb=" O ILE m 20 " (cutoff:3.500A) Processing sheet with id= 98, first strand: chain 'm' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU m 10 " --> pdb=" O ARG m 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE m 20 " --> pdb=" O ALA m 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA m 8 " --> pdb=" O ILE m 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR m 5 " --> pdb=" O PHE m 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE m 97 " --> pdb=" O THR m 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS m 7 " --> pdb=" O ILE m 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE m 99 " --> pdb=" O LYS m 7 " (cutoff:3.500A) removed outlier: 6.772A pdb=" N TYR m 9 " --> pdb=" O ILE m 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU m 101 " --> pdb=" O TYR m 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU m 11 " --> pdb=" O GLU m 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG m 96 " --> pdb=" O ARG m 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG m 68 " --> pdb=" O ARG m 96 " (cutoff:3.500A) Processing sheet with id= 99, first strand: chain 'n' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU n 10 " --> pdb=" O ARG n 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE n 20 " --> pdb=" O ALA n 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA n 8 " --> pdb=" O ILE n 20 " (cutoff:3.500A) Processing sheet with id=100, first strand: chain 'n' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU n 10 " --> pdb=" O ARG n 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE n 20 " --> pdb=" O ALA n 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA n 8 " --> pdb=" O ILE n 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THR n 5 " --> pdb=" O PHE n 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE n 97 " --> pdb=" O THR n 5 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N LYS n 7 " --> pdb=" O ILE n 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILE n 99 " --> pdb=" O LYS n 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR n 9 " --> pdb=" O ILE n 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU n 101 " --> pdb=" O TYR n 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU n 11 " --> pdb=" O GLU n 101 " (cutoff:3.500A) removed outlier: 8.005A pdb=" N ARG n 96 " --> pdb=" O ARG n 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG n 68 " --> pdb=" O ARG n 96 " (cutoff:3.500A) Processing sheet with id=101, first strand: chain 'o' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEU o 10 " --> pdb=" O ARG o 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE o 20 " --> pdb=" O ALA o 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA o 8 " --> pdb=" O ILE o 20 " (cutoff:3.500A) Processing sheet with id=102, first strand: chain 'o' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEU o 10 " --> pdb=" O ARG o 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE o 20 " --> pdb=" O ALA o 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA o 8 " --> pdb=" O ILE o 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR o 5 " --> pdb=" O PHE o 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE o 97 " --> pdb=" O THR o 5 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N LYS o 7 " --> pdb=" O ILE o 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE o 99 " --> pdb=" O LYS o 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR o 9 " --> pdb=" O ILE o 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLU o 101 " --> pdb=" O TYR o 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU o 11 " --> pdb=" O GLU o 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG o 96 " --> pdb=" O ARG o 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG o 68 " --> pdb=" O ARG o 96 " (cutoff:3.500A) Processing sheet with id=103, first strand: chain 'p' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU p 10 " --> pdb=" O ARG p 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE p 20 " --> pdb=" O ALA p 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA p 8 " --> pdb=" O ILE p 20 " (cutoff:3.500A) Processing sheet with id=104, first strand: chain 'p' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU p 10 " --> pdb=" O ARG p 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE p 20 " --> pdb=" O ALA p 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA p 8 " --> pdb=" O ILE p 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR p 5 " --> pdb=" O PHE p 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE p 97 " --> pdb=" O THR p 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS p 7 " --> pdb=" O ILE p 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILE p 99 " --> pdb=" O LYS p 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR p 9 " --> pdb=" O ILE p 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU p 101 " --> pdb=" O TYR p 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU p 11 " --> pdb=" O GLU p 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG p 96 " --> pdb=" O ARG p 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG p 68 " --> pdb=" O ARG p 96 " (cutoff:3.500A) Processing sheet with id=105, first strand: chain 'q' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEU q 10 " --> pdb=" O ARG q 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE q 20 " --> pdb=" O ALA q 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA q 8 " --> pdb=" O ILE q 20 " (cutoff:3.500A) Processing sheet with id=106, first strand: chain 'q' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEU q 10 " --> pdb=" O ARG q 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE q 20 " --> pdb=" O ALA q 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA q 8 " --> pdb=" O ILE q 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR q 5 " --> pdb=" O PHE q 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE q 97 " --> pdb=" O THR q 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS q 7 " --> pdb=" O ILE q 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE q 99 " --> pdb=" O LYS q 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR q 9 " --> pdb=" O ILE q 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU q 101 " --> pdb=" O TYR q 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU q 11 " --> pdb=" O GLU q 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG q 96 " --> pdb=" O ARG q 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG q 68 " --> pdb=" O ARG q 96 " (cutoff:3.500A) Processing sheet with id=107, first strand: chain 'r' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU r 10 " --> pdb=" O ARG r 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE r 20 " --> pdb=" O ALA r 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA r 8 " --> pdb=" O ILE r 20 " (cutoff:3.500A) Processing sheet with id=108, first strand: chain 'r' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU r 10 " --> pdb=" O ARG r 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE r 20 " --> pdb=" O ALA r 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA r 8 " --> pdb=" O ILE r 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR r 5 " --> pdb=" O PHE r 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE r 97 " --> pdb=" O THR r 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS r 7 " --> pdb=" O ILE r 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE r 99 " --> pdb=" O LYS r 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR r 9 " --> pdb=" O ILE r 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLU r 101 " --> pdb=" O TYR r 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU r 11 " --> pdb=" O GLU r 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG r 96 " --> pdb=" O ARG r 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG r 68 " --> pdb=" O ARG r 96 " (cutoff:3.500A) Processing sheet with id=109, first strand: chain 's' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU s 10 " --> pdb=" O ARG s 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE s 20 " --> pdb=" O ALA s 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA s 8 " --> pdb=" O ILE s 20 " (cutoff:3.500A) Processing sheet with id=110, first strand: chain 's' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU s 10 " --> pdb=" O ARG s 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE s 20 " --> pdb=" O ALA s 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA s 8 " --> pdb=" O ILE s 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THR s 5 " --> pdb=" O PHE s 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE s 97 " --> pdb=" O THR s 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS s 7 " --> pdb=" O ILE s 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE s 99 " --> pdb=" O LYS s 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR s 9 " --> pdb=" O ILE s 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU s 101 " --> pdb=" O TYR s 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU s 11 " --> pdb=" O GLU s 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG s 96 " --> pdb=" O ARG s 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG s 68 " --> pdb=" O ARG s 96 " (cutoff:3.500A) Processing sheet with id=111, first strand: chain 't' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU t 10 " --> pdb=" O ARG t 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE t 20 " --> pdb=" O ALA t 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA t 8 " --> pdb=" O ILE t 20 " (cutoff:3.500A) Processing sheet with id=112, first strand: chain 't' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU t 10 " --> pdb=" O ARG t 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE t 20 " --> pdb=" O ALA t 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA t 8 " --> pdb=" O ILE t 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THR t 5 " --> pdb=" O PHE t 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE t 97 " --> pdb=" O THR t 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS t 7 " --> pdb=" O ILE t 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILE t 99 " --> pdb=" O LYS t 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR t 9 " --> pdb=" O ILE t 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU t 101 " --> pdb=" O TYR t 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU t 11 " --> pdb=" O GLU t 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG t 96 " --> pdb=" O ARG t 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG t 68 " --> pdb=" O ARG t 96 " (cutoff:3.500A) Processing sheet with id=113, first strand: chain 'u' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU u 10 " --> pdb=" O ARG u 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE u 20 " --> pdb=" O ALA u 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA u 8 " --> pdb=" O ILE u 20 " (cutoff:3.500A) Processing sheet with id=114, first strand: chain 'u' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU u 10 " --> pdb=" O ARG u 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE u 20 " --> pdb=" O ALA u 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA u 8 " --> pdb=" O ILE u 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THR u 5 " --> pdb=" O PHE u 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE u 97 " --> pdb=" O THR u 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS u 7 " --> pdb=" O ILE u 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE u 99 " --> pdb=" O LYS u 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR u 9 " --> pdb=" O ILE u 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLU u 101 " --> pdb=" O TYR u 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU u 11 " --> pdb=" O GLU u 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG u 96 " --> pdb=" O ARG u 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARG u 68 " --> pdb=" O ARG u 96 " (cutoff:3.500A) Processing sheet with id=115, first strand: chain 'v' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU v 10 " --> pdb=" O ARG v 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE v 20 " --> pdb=" O ALA v 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA v 8 " --> pdb=" O ILE v 20 " (cutoff:3.500A) Processing sheet with id=116, first strand: chain 'v' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU v 10 " --> pdb=" O ARG v 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILE v 20 " --> pdb=" O ALA v 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA v 8 " --> pdb=" O ILE v 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR v 5 " --> pdb=" O PHE v 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE v 97 " --> pdb=" O THR v 5 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N LYS v 7 " --> pdb=" O ILE v 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILE v 99 " --> pdb=" O LYS v 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR v 9 " --> pdb=" O ILE v 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU v 101 " --> pdb=" O TYR v 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU v 11 " --> pdb=" O GLU v 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG v 96 " --> pdb=" O ARG v 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARG v 68 " --> pdb=" O ARG v 96 " (cutoff:3.500A) Processing sheet with id=117, first strand: chain 'w' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU w 10 " --> pdb=" O ARG w 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE w 20 " --> pdb=" O ALA w 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA w 8 " --> pdb=" O ILE w 20 " (cutoff:3.500A) Processing sheet with id=118, first strand: chain 'w' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU w 10 " --> pdb=" O ARG w 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE w 20 " --> pdb=" O ALA w 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA w 8 " --> pdb=" O ILE w 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR w 5 " --> pdb=" O PHE w 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE w 97 " --> pdb=" O THR w 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS w 7 " --> pdb=" O ILE w 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILE w 99 " --> pdb=" O LYS w 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR w 9 " --> pdb=" O ILE w 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU w 101 " --> pdb=" O TYR w 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU w 11 " --> pdb=" O GLU w 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG w 96 " --> pdb=" O ARG w 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG w 68 " --> pdb=" O ARG w 96 " (cutoff:3.500A) Processing sheet with id=119, first strand: chain 'x' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU x 10 " --> pdb=" O ARG x 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE x 20 " --> pdb=" O ALA x 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA x 8 " --> pdb=" O ILE x 20 " (cutoff:3.500A) Processing sheet with id=120, first strand: chain 'x' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU x 10 " --> pdb=" O ARG x 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE x 20 " --> pdb=" O ALA x 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALA x 8 " --> pdb=" O ILE x 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR x 5 " --> pdb=" O PHE x 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE x 97 " --> pdb=" O THR x 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYS x 7 " --> pdb=" O ILE x 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILE x 99 " --> pdb=" O LYS x 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR x 9 " --> pdb=" O ILE x 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLU x 101 " --> pdb=" O TYR x 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU x 11 " --> pdb=" O GLU x 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG x 96 " --> pdb=" O ARG x 68 " (cutoff:3.500A) removed outlier: 4.833A pdb=" N ARG x 68 " --> pdb=" O ARG x 96 " (cutoff:3.500A) Processing sheet with id=121, first strand: chain 'y' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU y 10 " --> pdb=" O ARG y 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE y 20 " --> pdb=" O ALA y 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA y 8 " --> pdb=" O ILE y 20 " (cutoff:3.500A) Processing sheet with id=122, first strand: chain 'y' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU y 10 " --> pdb=" O ARG y 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE y 20 " --> pdb=" O ALA y 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA y 8 " --> pdb=" O ILE y 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR y 5 " --> pdb=" O PHE y 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILE y 97 " --> pdb=" O THR y 5 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N LYS y 7 " --> pdb=" O ILE y 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILE y 99 " --> pdb=" O LYS y 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR y 9 " --> pdb=" O ILE y 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU y 101 " --> pdb=" O TYR y 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU y 11 " --> pdb=" O GLU y 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARG y 96 " --> pdb=" O ARG y 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG y 68 " --> pdb=" O ARG y 96 " (cutoff:3.500A) Processing sheet with id=123, first strand: chain 'z' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU z 10 " --> pdb=" O ARG z 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE z 20 " --> pdb=" O ALA z 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA z 8 " --> pdb=" O ILE z 20 " (cutoff:3.500A) Processing sheet with id=124, first strand: chain 'z' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEU z 10 " --> pdb=" O ARG z 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILE z 20 " --> pdb=" O ALA z 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALA z 8 " --> pdb=" O ILE z 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THR z 5 " --> pdb=" O PHE z 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILE z 97 " --> pdb=" O THR z 5 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N LYS z 7 " --> pdb=" O ILE z 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILE z 99 " --> pdb=" O LYS z 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYR z 9 " --> pdb=" O ILE z 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLU z 101 " --> pdb=" O TYR z 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEU z 11 " --> pdb=" O GLU z 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARG z 96 " --> pdb=" O ARG z 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARG z 68 " --> pdb=" O ARG z 96 " (cutoff:3.500A) Processing sheet with id=125, first strand: chain 'AA' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEUAA 10 " --> pdb=" O ARGAA 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILEAA 20 " --> pdb=" O ALAAA 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALAAA 8 " --> pdb=" O ILEAA 20 " (cutoff:3.500A) Processing sheet with id=126, first strand: chain 'AA' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEUAA 10 " --> pdb=" O ARGAA 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILEAA 20 " --> pdb=" O ALAAA 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALAAA 8 " --> pdb=" O ILEAA 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THRAA 5 " --> pdb=" O PHEAA 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILEAA 97 " --> pdb=" O THRAA 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYSAA 7 " --> pdb=" O ILEAA 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILEAA 99 " --> pdb=" O LYSAA 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYRAA 9 " --> pdb=" O ILEAA 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLUAA 101 " --> pdb=" O TYRAA 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEUAA 11 " --> pdb=" O GLUAA 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARGAA 96 " --> pdb=" O ARGAA 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARGAA 68 " --> pdb=" O ARGAA 96 " (cutoff:3.500A) Processing sheet with id=127, first strand: chain 'AB' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEUAB 10 " --> pdb=" O ARGAB 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILEAB 20 " --> pdb=" O ALAAB 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALAAB 8 " --> pdb=" O ILEAB 20 " (cutoff:3.500A) Processing sheet with id=128, first strand: chain 'AB' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEUAB 10 " --> pdb=" O ARGAB 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILEAB 20 " --> pdb=" O ALAAB 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALAAB 8 " --> pdb=" O ILEAB 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THRAB 5 " --> pdb=" O PHEAB 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILEAB 97 " --> pdb=" O THRAB 5 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N LYSAB 7 " --> pdb=" O ILEAB 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILEAB 99 " --> pdb=" O LYSAB 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYRAB 9 " --> pdb=" O ILEAB 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLUAB 101 " --> pdb=" O TYRAB 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEUAB 11 " --> pdb=" O GLUAB 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARGAB 96 " --> pdb=" O ARGAB 68 " (cutoff:3.500A) removed outlier: 4.836A pdb=" N ARGAB 68 " --> pdb=" O ARGAB 96 " (cutoff:3.500A) Processing sheet with id=129, first strand: chain 'AC' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEUAC 10 " --> pdb=" O ARGAC 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILEAC 20 " --> pdb=" O ALAAC 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALAAC 8 " --> pdb=" O ILEAC 20 " (cutoff:3.500A) Processing sheet with id=130, first strand: chain 'AC' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEUAC 10 " --> pdb=" O ARGAC 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILEAC 20 " --> pdb=" O ALAAC 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALAAC 8 " --> pdb=" O ILEAC 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THRAC 5 " --> pdb=" O PHEAC 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILEAC 97 " --> pdb=" O THRAC 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYSAC 7 " --> pdb=" O ILEAC 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILEAC 99 " --> pdb=" O LYSAC 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYRAC 9 " --> pdb=" O ILEAC 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLUAC 101 " --> pdb=" O TYRAC 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEUAC 11 " --> pdb=" O GLUAC 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARGAC 96 " --> pdb=" O ARGAC 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARGAC 68 " --> pdb=" O ARGAC 96 " (cutoff:3.500A) Processing sheet with id=131, first strand: chain 'AD' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEUAD 10 " --> pdb=" O ARGAD 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILEAD 20 " --> pdb=" O ALAAD 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALAAD 8 " --> pdb=" O ILEAD 20 " (cutoff:3.500A) Processing sheet with id=132, first strand: chain 'AD' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEUAD 10 " --> pdb=" O ARGAD 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILEAD 20 " --> pdb=" O ALAAD 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALAAD 8 " --> pdb=" O ILEAD 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THRAD 5 " --> pdb=" O PHEAD 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILEAD 97 " --> pdb=" O THRAD 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYSAD 7 " --> pdb=" O ILEAD 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILEAD 99 " --> pdb=" O LYSAD 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYRAD 9 " --> pdb=" O ILEAD 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLUAD 101 " --> pdb=" O TYRAD 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEUAD 11 " --> pdb=" O GLUAD 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARGAD 96 " --> pdb=" O ARGAD 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARGAD 68 " --> pdb=" O ARGAD 96 " (cutoff:3.500A) Processing sheet with id=133, first strand: chain 'AE' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEUAE 10 " --> pdb=" O ARGAE 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILEAE 20 " --> pdb=" O ALAAE 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALAAE 8 " --> pdb=" O ILEAE 20 " (cutoff:3.500A) Processing sheet with id=134, first strand: chain 'AE' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEUAE 10 " --> pdb=" O ARGAE 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILEAE 20 " --> pdb=" O ALAAE 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALAAE 8 " --> pdb=" O ILEAE 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THRAE 5 " --> pdb=" O PHEAE 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILEAE 97 " --> pdb=" O THRAE 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYSAE 7 " --> pdb=" O ILEAE 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILEAE 99 " --> pdb=" O LYSAE 7 " (cutoff:3.500A) removed outlier: 6.772A pdb=" N TYRAE 9 " --> pdb=" O ILEAE 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLUAE 101 " --> pdb=" O TYRAE 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEUAE 11 " --> pdb=" O GLUAE 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARGAE 96 " --> pdb=" O ARGAE 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARGAE 68 " --> pdb=" O ARGAE 96 " (cutoff:3.500A) Processing sheet with id=135, first strand: chain 'AF' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEUAF 10 " --> pdb=" O ARGAF 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILEAF 20 " --> pdb=" O ALAAF 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALAAF 8 " --> pdb=" O ILEAF 20 " (cutoff:3.500A) Processing sheet with id=136, first strand: chain 'AF' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEUAF 10 " --> pdb=" O ARGAF 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILEAF 20 " --> pdb=" O ALAAF 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALAAF 8 " --> pdb=" O ILEAF 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THRAF 5 " --> pdb=" O PHEAF 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILEAF 97 " --> pdb=" O THRAF 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYSAF 7 " --> pdb=" O ILEAF 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILEAF 99 " --> pdb=" O LYSAF 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYRAF 9 " --> pdb=" O ILEAF 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLUAF 101 " --> pdb=" O TYRAF 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEUAF 11 " --> pdb=" O GLUAF 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARGAF 96 " --> pdb=" O ARGAF 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARGAF 68 " --> pdb=" O ARGAF 96 " (cutoff:3.500A) Processing sheet with id=137, first strand: chain 'AG' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEUAG 10 " --> pdb=" O ARGAG 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILEAG 20 " --> pdb=" O ALAAG 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALAAG 8 " --> pdb=" O ILEAG 20 " (cutoff:3.500A) Processing sheet with id=138, first strand: chain 'AG' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEUAG 10 " --> pdb=" O ARGAG 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILEAG 20 " --> pdb=" O ALAAG 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALAAG 8 " --> pdb=" O ILEAG 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THRAG 5 " --> pdb=" O PHEAG 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILEAG 97 " --> pdb=" O THRAG 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYSAG 7 " --> pdb=" O ILEAG 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILEAG 99 " --> pdb=" O LYSAG 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYRAG 9 " --> pdb=" O ILEAG 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLUAG 101 " --> pdb=" O TYRAG 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEUAG 11 " --> pdb=" O GLUAG 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARGAG 96 " --> pdb=" O ARGAG 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARGAG 68 " --> pdb=" O ARGAG 96 " (cutoff:3.500A) Processing sheet with id=139, first strand: chain 'AH' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEUAH 10 " --> pdb=" O ARGAH 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILEAH 20 " --> pdb=" O ALAAH 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALAAH 8 " --> pdb=" O ILEAH 20 " (cutoff:3.500A) Processing sheet with id=140, first strand: chain 'AH' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEUAH 10 " --> pdb=" O ARGAH 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILEAH 20 " --> pdb=" O ALAAH 8 " (cutoff:3.500A) removed outlier: 6.683A pdb=" N ALAAH 8 " --> pdb=" O ILEAH 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THRAH 5 " --> pdb=" O PHEAH 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILEAH 97 " --> pdb=" O THRAH 5 " (cutoff:3.500A) removed outlier: 6.113A pdb=" N LYSAH 7 " --> pdb=" O ILEAH 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILEAH 99 " --> pdb=" O LYSAH 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYRAH 9 " --> pdb=" O ILEAH 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLUAH 101 " --> pdb=" O TYRAH 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEUAH 11 " --> pdb=" O GLUAH 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARGAH 96 " --> pdb=" O ARGAH 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARGAH 68 " --> pdb=" O ARGAH 96 " (cutoff:3.500A) Processing sheet with id=141, first strand: chain 'AI' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEUAI 10 " --> pdb=" O ARGAI 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILEAI 20 " --> pdb=" O ALAAI 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALAAI 8 " --> pdb=" O ILEAI 20 " (cutoff:3.500A) Processing sheet with id=142, first strand: chain 'AI' and resid 17 through 20 removed outlier: 6.743A pdb=" N LEUAI 10 " --> pdb=" O ARGAI 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILEAI 20 " --> pdb=" O ALAAI 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALAAI 8 " --> pdb=" O ILEAI 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THRAI 5 " --> pdb=" O PHEAI 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILEAI 97 " --> pdb=" O THRAI 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYSAI 7 " --> pdb=" O ILEAI 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILEAI 99 " --> pdb=" O LYSAI 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYRAI 9 " --> pdb=" O ILEAI 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLUAI 101 " --> pdb=" O TYRAI 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEUAI 11 " --> pdb=" O GLUAI 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARGAI 96 " --> pdb=" O ARGAI 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARGAI 68 " --> pdb=" O ARGAI 96 " (cutoff:3.500A) Processing sheet with id=143, first strand: chain 'AJ' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEUAJ 10 " --> pdb=" O ARGAJ 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILEAJ 20 " --> pdb=" O ALAAJ 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALAAJ 8 " --> pdb=" O ILEAJ 20 " (cutoff:3.500A) Processing sheet with id=144, first strand: chain 'AJ' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEUAJ 10 " --> pdb=" O ARGAJ 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILEAJ 20 " --> pdb=" O ALAAJ 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALAAJ 8 " --> pdb=" O ILEAJ 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THRAJ 5 " --> pdb=" O PHEAJ 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILEAJ 97 " --> pdb=" O THRAJ 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYSAJ 7 " --> pdb=" O ILEAJ 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILEAJ 99 " --> pdb=" O LYSAJ 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYRAJ 9 " --> pdb=" O ILEAJ 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLUAJ 101 " --> pdb=" O TYRAJ 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEUAJ 11 " --> pdb=" O GLUAJ 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARGAJ 96 " --> pdb=" O ARGAJ 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARGAJ 68 " --> pdb=" O ARGAJ 96 " (cutoff:3.500A) Processing sheet with id=145, first strand: chain 'AK' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEUAK 10 " --> pdb=" O ARGAK 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILEAK 20 " --> pdb=" O ALAAK 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALAAK 8 " --> pdb=" O ILEAK 20 " (cutoff:3.500A) Processing sheet with id=146, first strand: chain 'AK' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEUAK 10 " --> pdb=" O ARGAK 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILEAK 20 " --> pdb=" O ALAAK 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALAAK 8 " --> pdb=" O ILEAK 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THRAK 5 " --> pdb=" O PHEAK 95 " (cutoff:3.500A) removed outlier: 7.378A pdb=" N ILEAK 97 " --> pdb=" O THRAK 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYSAK 7 " --> pdb=" O ILEAK 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILEAK 99 " --> pdb=" O LYSAK 7 " (cutoff:3.500A) removed outlier: 6.772A pdb=" N TYRAK 9 " --> pdb=" O ILEAK 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLUAK 101 " --> pdb=" O TYRAK 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEUAK 11 " --> pdb=" O GLUAK 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARGAK 96 " --> pdb=" O ARGAK 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARGAK 68 " --> pdb=" O ARGAK 96 " (cutoff:3.500A) Processing sheet with id=147, first strand: chain 'AL' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEUAL 10 " --> pdb=" O ARGAL 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILEAL 20 " --> pdb=" O ALAAL 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALAAL 8 " --> pdb=" O ILEAL 20 " (cutoff:3.500A) Processing sheet with id=148, first strand: chain 'AL' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEUAL 10 " --> pdb=" O ARGAL 18 " (cutoff:3.500A) removed outlier: 4.408A pdb=" N ILEAL 20 " --> pdb=" O ALAAL 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALAAL 8 " --> pdb=" O ILEAL 20 " (cutoff:3.500A) removed outlier: 6.799A pdb=" N THRAL 5 " --> pdb=" O PHEAL 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILEAL 97 " --> pdb=" O THRAL 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYSAL 7 " --> pdb=" O ILEAL 97 " (cutoff:3.500A) removed outlier: 7.273A pdb=" N ILEAL 99 " --> pdb=" O LYSAL 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYRAL 9 " --> pdb=" O ILEAL 99 " (cutoff:3.500A) removed outlier: 8.365A pdb=" N GLUAL 101 " --> pdb=" O TYRAL 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEUAL 11 " --> pdb=" O GLUAL 101 " (cutoff:3.500A) removed outlier: 8.006A pdb=" N ARGAL 96 " --> pdb=" O ARGAL 68 " (cutoff:3.500A) removed outlier: 4.835A pdb=" N ARGAL 68 " --> pdb=" O ARGAL 96 " (cutoff:3.500A) Processing sheet with id=149, first strand: chain 'AM' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEUAM 10 " --> pdb=" O ARGAM 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILEAM 20 " --> pdb=" O ALAAM 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALAAM 8 " --> pdb=" O ILEAM 20 " (cutoff:3.500A) Processing sheet with id=150, first strand: chain 'AM' and resid 17 through 20 removed outlier: 6.742A pdb=" N LEUAM 10 " --> pdb=" O ARGAM 18 " (cutoff:3.500A) removed outlier: 4.407A pdb=" N ILEAM 20 " --> pdb=" O ALAAM 8 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ALAAM 8 " --> pdb=" O ILEAM 20 " (cutoff:3.500A) removed outlier: 6.798A pdb=" N THRAM 5 " --> pdb=" O PHEAM 95 " (cutoff:3.500A) removed outlier: 7.379A pdb=" N ILEAM 97 " --> pdb=" O THRAM 5 " (cutoff:3.500A) removed outlier: 6.112A pdb=" N LYSAM 7 " --> pdb=" O ILEAM 97 " (cutoff:3.500A) removed outlier: 7.274A pdb=" N ILEAM 99 " --> pdb=" O LYSAM 7 " (cutoff:3.500A) removed outlier: 6.773A pdb=" N TYRAM 9 " --> pdb=" O ILEAM 99 " (cutoff:3.500A) removed outlier: 8.364A pdb=" N GLUAM 101 " --> pdb=" O TYRAM 9 " (cutoff:3.500A) removed outlier: 8.985A pdb=" N LEUAM 11 " --> pdb=" O GLUAM 101 " (cutoff:3.500A) removed outlier: 8.007A pdb=" N ARGAM 96 " --> pdb=" O ARGAM 68 " (cutoff:3.500A) removed outlier: 4.834A pdb=" N ARGAM 68 " --> pdb=" O ARGAM 96 " (cutoff:3.500A) 1725 hydrogen bonds defined for protein. 4725 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: 26.42 Time building geometry restraints manager: 18.54 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.23 - 1.34: 20325 1.34 - 1.46: 13277 1.46 - 1.58: 27598 1.58 - 1.70: 0 1.70 - 1.81: 600 Bond restraints: 61800 Sorted by residual: bond pdb=" C SER 6 28 " pdb=" N PRO 6 29 " ideal model delta sigma weight residual 1.332 1.383 -0.051 1.34e-02 5.57e+03 1.45e+01 bond pdb=" C SER q 28 " pdb=" N PRO q 29 " ideal model delta sigma weight residual 1.332 1.383 -0.051 1.34e-02 5.57e+03 1.44e+01 bond pdb=" C SER R 28 " pdb=" N PRO R 29 " ideal model delta sigma weight residual 1.332 1.383 -0.051 1.34e-02 5.57e+03 1.43e+01 bond pdb=" C SER L 28 " pdb=" N PRO L 29 " ideal model delta sigma weight residual 1.332 1.383 -0.051 1.34e-02 5.57e+03 1.43e+01 bond pdb=" C SER t 28 " pdb=" N PRO t 29 " ideal model delta sigma weight residual 1.332 1.382 -0.051 1.34e-02 5.57e+03 1.42e+01 ... (remaining 61795 not shown) Histogram of bond angle deviations from ideal: 99.68 - 106.00: 1800 106.00 - 112.33: 28022 112.33 - 118.65: 18581 118.65 - 124.97: 33797 124.97 - 131.30: 975 Bond angle restraints: 83175 Sorted by residual: angle pdb=" C PRO v 31 " pdb=" N GLU v 32 " pdb=" CA GLU v 32 " ideal model delta sigma weight residual 121.31 126.49 -5.18 1.49e+00 4.50e-01 1.21e+01 angle pdb=" C PROAE 31 " pdb=" N GLUAE 32 " pdb=" CA GLUAE 32 " ideal model delta sigma weight residual 121.31 126.49 -5.18 1.49e+00 4.50e-01 1.21e+01 angle pdb=" C PRO 4 31 " pdb=" N GLU 4 32 " pdb=" CA GLU 4 32 " ideal model delta sigma weight residual 121.31 126.48 -5.17 1.49e+00 4.50e-01 1.20e+01 angle pdb=" C PRO K 31 " pdb=" N GLU K 32 " pdb=" CA GLU K 32 " ideal model delta sigma weight residual 121.31 126.47 -5.16 1.49e+00 4.50e-01 1.20e+01 angle pdb=" C PRO 8 31 " pdb=" N GLU 8 32 " pdb=" CA GLU 8 32 " ideal model delta sigma weight residual 121.31 126.47 -5.16 1.49e+00 4.50e-01 1.20e+01 ... (remaining 83170 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 8.61: 32483 8.61 - 17.21: 3667 17.21 - 25.82: 825 25.82 - 34.43: 825 34.43 - 43.03: 375 Dihedral angle restraints: 38175 sinusoidal: 15450 harmonic: 22725 Sorted by residual: dihedral pdb=" CA GLY j 40 " pdb=" C GLY j 40 " pdb=" N PRO j 41 " pdb=" CA PRO j 41 " ideal model delta harmonic sigma weight residual 180.00 155.45 24.55 0 5.00e+00 4.00e-02 2.41e+01 dihedral pdb=" CA GLY 7 40 " pdb=" C GLY 7 40 " pdb=" N PRO 7 41 " pdb=" CA PRO 7 41 " ideal model delta harmonic sigma weight residual 180.00 155.45 24.55 0 5.00e+00 4.00e-02 2.41e+01 dihedral pdb=" CA GLY X 40 " pdb=" C GLY X 40 " pdb=" N PRO X 41 " pdb=" CA PRO X 41 " ideal model delta harmonic sigma weight residual 180.00 155.45 24.55 0 5.00e+00 4.00e-02 2.41e+01 ... (remaining 38172 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.032: 4642 0.032 - 0.064: 2577 0.064 - 0.096: 995 0.096 - 0.128: 436 0.128 - 0.160: 125 Chirality restraints: 8775 Sorted by residual: chirality pdb=" CA ILE h 20 " pdb=" N ILE h 20 " pdb=" C ILE h 20 " pdb=" CB ILE h 20 " both_signs ideal model delta sigma weight residual False 2.43 2.59 -0.16 2.00e-01 2.50e+01 6.43e-01 chirality pdb=" CA ILE q 20 " pdb=" N ILE q 20 " pdb=" C ILE q 20 " pdb=" CB ILE q 20 " both_signs ideal model delta sigma weight residual False 2.43 2.59 -0.16 2.00e-01 2.50e+01 6.43e-01 chirality pdb=" CA ILEAF 20 " pdb=" N ILEAF 20 " pdb=" C ILEAF 20 " pdb=" CB ILEAF 20 " both_signs ideal model delta sigma weight residual False 2.43 2.59 -0.16 2.00e-01 2.50e+01 6.41e-01 ... (remaining 8772 not shown) Planarity restraints: 11100 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" C GLY t 40 " -0.051 5.00e-02 4.00e+02 7.76e-02 9.63e+00 pdb=" N PRO t 41 " 0.134 5.00e-02 4.00e+02 pdb=" CA PRO t 41 " -0.041 5.00e-02 4.00e+02 pdb=" CD PRO t 41 " -0.042 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C GLY c 40 " 0.051 5.00e-02 4.00e+02 7.75e-02 9.62e+00 pdb=" N PRO c 41 " -0.134 5.00e-02 4.00e+02 pdb=" CA PRO c 41 " 0.041 5.00e-02 4.00e+02 pdb=" CD PRO c 41 " 0.042 5.00e-02 4.00e+02 delta sigma weight rms_deltas residual plane pdb=" C GLY H 40 " -0.051 5.00e-02 4.00e+02 7.75e-02 9.62e+00 pdb=" N PRO H 41 " 0.134 5.00e-02 4.00e+02 pdb=" CA PRO H 41 " -0.041 5.00e-02 4.00e+02 pdb=" CD PRO H 41 " -0.042 5.00e-02 4.00e+02 ... (remaining 11097 not shown) Histogram of nonbonded interaction distances: 2.27 - 2.79: 15229 2.79 - 3.32: 49832 3.32 - 3.85: 93478 3.85 - 4.37: 107674 4.37 - 4.90: 193719 Nonbonded interactions: 459932 Sorted by model distance: nonbonded pdb=" OD2 ASP f 69 " pdb=" NZ LYS i 7 " model vdw 2.268 2.520 nonbonded pdb=" OD2 ASP I 69 " pdb=" NZ LYS L 7 " model vdw 2.269 2.520 nonbonded pdb=" OD2 ASP i 69 " pdb=" NZ LYS l 7 " model vdw 2.269 2.520 nonbonded pdb=" OD2 ASP R 69 " pdb=" NZ LYS U 7 " model vdw 2.269 2.520 nonbonded pdb=" OD2 ASPAA 69 " pdb=" NZ LYSAD 7 " model vdw 2.269 2.520 ... (remaining 459927 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = chain '0' selection = chain '1' selection = chain '2' selection = chain '3' selection = chain '4' selection = chain '5' selection = chain '6' selection = chain '7' selection = chain '8' selection = chain '9' selection = chain 'A' selection = chain 'AA' selection = chain 'AB' selection = chain 'AC' selection = chain 'AD' selection = chain 'AE' selection = chain 'AF' selection = chain 'AG' selection = chain 'AH' selection = chain 'AI' selection = chain 'AJ' selection = chain 'AK' selection = chain 'AL' selection = chain 'AM' selection = chain 'B' selection = chain 'C' selection = chain 'D' selection = chain 'E' selection = chain 'F' selection = chain 'G' selection = chain 'H' selection = chain 'I' selection = chain 'J' selection = chain 'K' selection = chain 'L' selection = chain 'M' selection = chain 'N' selection = chain 'O' selection = chain 'P' selection = chain 'Q' selection = chain 'R' selection = chain 'S' selection = chain 'T' selection = chain 'U' selection = chain 'V' selection = chain 'W' selection = chain 'X' selection = chain 'Y' selection = chain 'Z' selection = chain 'a' selection = chain 'b' selection = chain 'c' selection = chain 'd' selection = chain 'e' selection = chain 'f' selection = chain 'g' selection = chain 'h' selection = chain 'i' selection = chain 'j' selection = chain 'k' selection = chain 'l' selection = chain 'm' selection = chain 'n' selection = chain 'o' selection = chain 'p' selection = chain 'q' selection = chain 'r' selection = chain 's' selection = chain 't' selection = chain 'u' selection = chain 'v' selection = chain 'w' selection = chain 'x' selection = chain 'y' selection = chain 'z' } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 450 5.16 5 C 38175 2.51 5 N 10275 2.21 5 O 11700 1.98 5 sf(0) = scattering factor at diffraction angle 0. Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 1.000 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: 0.050 Extract box with map and model: 7.990 Check model and map are aligned: 0.660 Process input model: 119.380 Find NCS groups from input model: 3.210 Set up NCS constraints: 0.870 Set refine NCS operators: 0.000 Set scattering table: 0.410 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:2.340 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 135.920 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.5603 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 : 0.007 0.051 61800 Z= 0.435 Angle : 1.097 10.815 83175 Z= 0.602 Chirality : 0.048 0.160 8775 Planarity : 0.009 0.078 11100 Dihedral : 10.465 43.032 23475 Min Nonbonded Distance : 2.268 Molprobity Statistics. All-atom Clashscore : 4.52 Ramachandran Plot: Outliers : 0.00 % Allowed : 16.51 % Favored : 83.49 % Rotamer Outliers : 0.00 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -5.42 (0.07), residues: 7650 helix: -4.84 (0.03), residues: 1800 sheet: -3.35 (0.09), residues: 2175 loop : -2.95 (0.09), residues: 3675 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 15300 Ramachandran restraints generated. 7650 Oldfield, 0 Emsley, 7650 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 15300 Ramachandran restraints generated. 7650 Oldfield, 0 Emsley, 7650 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 2621 residues out of total 6225 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 2621 time to evaluate : 5.155 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 0 outliers final: 0 residues processed: 2621 average time/residue: 0.6194 time to fit residues: 2593.4973 Evaluate side-chains 1494 residues out of total 6225 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 1494 time to evaluate : 5.264 Switching outliers to nearest non-outliers outliers start: 0 outliers final: 0 residues processed: 0 time to fit residues: 7.2582 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 750 random chunks: chunk 633 optimal weight: 0.6980 chunk 568 optimal weight: 7.9990 chunk 315 optimal weight: 9.9990 chunk 194 optimal weight: 8.9990 chunk 383 optimal weight: 50.0000 chunk 303 optimal weight: 0.0010 chunk 587 optimal weight: 4.9990 chunk 227 optimal weight: 6.9990 chunk 357 optimal weight: 3.9990 chunk 437 optimal weight: 1.9990 chunk 681 optimal weight: 50.0000 overall best weight: 2.3392 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: A 66 HIS ** B 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** D 66 HIS E 66 HIS ** G 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 66 HIS M 66 HIS S 66 HIS ** T 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** V 66 HIS Y 66 HIS 1 66 HIS 4 66 HIS ** 5 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 7 66 HIS ** 8 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** a 66 HIS d 66 HIS g 66 HIS j 66 HIS m 66 HIS p 66 HIS s 66 HIS v 66 HIS y 66 HIS AA 66 HIS AB 66 HIS AE 66 HIS AK 66 HIS ** AL 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** AM 66 HIS Total number of N/Q/H flips: 25 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6332 moved from start: 0.4859 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.112 61800 Z= 0.260 Angle : 0.795 10.079 83175 Z= 0.402 Chirality : 0.045 0.194 8775 Planarity : 0.008 0.079 11100 Dihedral : 6.134 23.051 8625 Min Nonbonded Distance : 2.139 Molprobity Statistics. All-atom Clashscore : 9.62 Ramachandran Plot: Outliers : 0.00 % Allowed : 14.76 % Favored : 85.24 % Rotamer Outliers : 4.87 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -4.09 (0.09), residues: 7650 helix: -3.27 (0.08), residues: 1800 sheet: -2.56 (0.11), residues: 2175 loop : -2.39 (0.10), residues: 3675 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 15300 Ramachandran restraints generated. 7650 Oldfield, 0 Emsley, 7650 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 15300 Ramachandran restraints generated. 7650 Oldfield, 0 Emsley, 7650 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1925 residues out of total 6225 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 303 poor density : 1622 time to evaluate : 6.394 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 outliers start: 303 outliers final: 155 residues processed: 1764 average time/residue: 0.5663 time to fit residues: 1673.1481 Evaluate side-chains 1532 residues out of total 6225 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 155 poor density : 1377 time to evaluate : 5.286 Switching outliers to nearest non-outliers outliers start: 155 outliers final: 0 residues processed: 155 average time/residue: 0.4201 time to fit residues: 130.5542 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 750 random chunks: chunk 378 optimal weight: 7.9990 chunk 211 optimal weight: 0.7980 chunk 566 optimal weight: 9.9990 chunk 463 optimal weight: 0.9980 chunk 187 optimal weight: 2.9990 chunk 682 optimal weight: 50.0000 chunk 737 optimal weight: 9.9990 chunk 607 optimal weight: 8.9990 chunk 676 optimal weight: 5.9990 chunk 232 optimal weight: 6.9990 chunk 547 optimal weight: 6.9990 overall best weight: 3.5586 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** G 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 66 HIS K 66 HIS N 64 GLN X 64 GLN ** 5 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** c 64 GLN f 64 GLN i 64 GLN l 64 GLN o 64 GLN x 66 HIS AD 66 HIS AG 66 HIS AH 66 HIS AJ 66 HIS ** AL 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 14 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6727 moved from start: 0.6954 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.050 61800 Z= 0.256 Angle : 0.728 9.671 83175 Z= 0.372 Chirality : 0.044 0.222 8775 Planarity : 0.007 0.089 11100 Dihedral : 5.821 25.094 8625 Min Nonbonded Distance : 2.133 Molprobity Statistics. All-atom Clashscore : 8.73 Ramachandran Plot: Outliers : 0.00 % Allowed : 14.56 % Favored : 85.44 % Rotamer Outliers : 3.57 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -3.08 (0.09), residues: 7650 helix: -1.39 (0.11), residues: 1725 sheet: -2.04 (0.11), residues: 2250 loop : -2.30 (0.10), residues: 3675 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 15300 Ramachandran restraints generated. 7650 Oldfield, 0 Emsley, 7650 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 15300 Ramachandran restraints generated. 7650 Oldfield, 0 Emsley, 7650 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1869 residues out of total 6225 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 222 poor density : 1647 time to evaluate : 5.381 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 222 outliers final: 86 residues processed: 1744 average time/residue: 0.5390 time to fit residues: 1596.8319 Evaluate side-chains 1428 residues out of total 6225 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 86 poor density : 1342 time to evaluate : 5.222 Switching outliers to nearest non-outliers outliers start: 86 outliers final: 0 residues processed: 86 average time/residue: 0.4209 time to fit residues: 74.8753 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 750 random chunks: chunk 674 optimal weight: 6.9990 chunk 512 optimal weight: 2.9990 chunk 354 optimal weight: 10.0000 chunk 75 optimal weight: 10.0000 chunk 325 optimal weight: 4.9990 chunk 458 optimal weight: 0.0770 chunk 684 optimal weight: 50.0000 chunk 724 optimal weight: 20.0000 chunk 357 optimal weight: 0.9990 chunk 648 optimal weight: 30.0000 chunk 195 optimal weight: 9.9990 overall best weight: 3.2146 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: C 64 GLN U 64 GLN ** 5 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** 6 64 GLN ** AL 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 3 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6802 moved from start: 0.7817 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.056 61800 Z= 0.242 Angle : 0.726 10.785 83175 Z= 0.361 Chirality : 0.045 0.211 8775 Planarity : 0.007 0.071 11100 Dihedral : 5.555 24.140 8625 Min Nonbonded Distance : 2.234 Molprobity Statistics. All-atom Clashscore : 9.91 Ramachandran Plot: Outliers : 0.00 % Allowed : 13.63 % Favored : 86.37 % Rotamer Outliers : 3.24 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.70 (0.10), residues: 7650 helix: -0.54 (0.12), residues: 1800 sheet: -1.90 (0.11), residues: 2250 loop : -2.33 (0.10), residues: 3600 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 15300 Ramachandran restraints generated. 7650 Oldfield, 0 Emsley, 7650 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 15300 Ramachandran restraints generated. 7650 Oldfield, 0 Emsley, 7650 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1625 residues out of total 6225 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 202 poor density : 1423 time to evaluate : 5.895 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 202 outliers final: 113 residues processed: 1519 average time/residue: 0.5104 time to fit residues: 1346.8075 Evaluate side-chains 1387 residues out of total 6225 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 113 poor density : 1274 time to evaluate : 6.124 Switching outliers to nearest non-outliers outliers start: 113 outliers final: 0 residues processed: 113 average time/residue: 0.4238 time to fit residues: 98.7769 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 750 random chunks: chunk 603 optimal weight: 5.9990 chunk 411 optimal weight: 2.9990 chunk 10 optimal weight: 20.0000 chunk 539 optimal weight: 0.4980 chunk 299 optimal weight: 4.9990 chunk 618 optimal weight: 0.9990 chunk 501 optimal weight: 10.0000 chunk 0 optimal weight: 10.0000 chunk 370 optimal weight: 10.0000 chunk 650 optimal weight: 9.9990 chunk 182 optimal weight: 10.0000 overall best weight: 3.0988 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** 5 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 0 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6853 moved from start: 0.8428 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.041 61800 Z= 0.231 Angle : 0.696 10.058 83175 Z= 0.344 Chirality : 0.044 0.186 8775 Planarity : 0.006 0.080 11100 Dihedral : 5.366 22.910 8625 Min Nonbonded Distance : 2.231 Molprobity Statistics. All-atom Clashscore : 8.99 Ramachandran Plot: Outliers : 0.00 % Allowed : 14.14 % Favored : 85.86 % Rotamer Outliers : 1.98 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.45 (0.10), residues: 7650 helix: -0.05 (0.13), residues: 1800 sheet: -1.79 (0.11), residues: 2250 loop : -2.32 (0.10), residues: 3600 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 15300 Ramachandran restraints generated. 7650 Oldfield, 0 Emsley, 7650 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 15300 Ramachandran restraints generated. 7650 Oldfield, 0 Emsley, 7650 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1492 residues out of total 6225 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 123 poor density : 1369 time to evaluate : 7.074 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 123 outliers final: 73 residues processed: 1416 average time/residue: 0.5410 time to fit residues: 1326.8630 Evaluate side-chains 1286 residues out of total 6225 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 73 poor density : 1213 time to evaluate : 5.259 Switching outliers to nearest non-outliers outliers start: 73 outliers final: 0 residues processed: 73 average time/residue: 0.4394 time to fit residues: 67.9402 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 750 random chunks: chunk 243 optimal weight: 20.0000 chunk 652 optimal weight: 10.0000 chunk 143 optimal weight: 30.0000 chunk 425 optimal weight: 0.9980 chunk 178 optimal weight: 9.9990 chunk 725 optimal weight: 10.0000 chunk 602 optimal weight: 5.9990 chunk 335 optimal weight: 0.9990 chunk 60 optimal weight: 10.0000 chunk 240 optimal weight: 10.0000 chunk 380 optimal weight: 0.9980 overall best weight: 3.7986 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** 5 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 0 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6903 moved from start: 0.8954 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.045 61800 Z= 0.257 Angle : 0.726 9.805 83175 Z= 0.358 Chirality : 0.045 0.181 8775 Planarity : 0.006 0.063 11100 Dihedral : 5.382 23.601 8625 Min Nonbonded Distance : 2.202 Molprobity Statistics. All-atom Clashscore : 9.95 Ramachandran Plot: Outliers : 0.00 % Allowed : 13.91 % Favored : 86.09 % Rotamer Outliers : 1.59 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.31 (0.10), residues: 7650 helix: 0.21 (0.13), residues: 1800 sheet: -1.71 (0.11), residues: 2250 loop : -2.32 (0.11), residues: 3600 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 15300 Ramachandran restraints generated. 7650 Oldfield, 0 Emsley, 7650 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 15300 Ramachandran restraints generated. 7650 Oldfield, 0 Emsley, 7650 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1390 residues out of total 6225 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 99 poor density : 1291 time to evaluate : 5.425 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 99 outliers final: 52 residues processed: 1323 average time/residue: 0.5391 time to fit residues: 1240.1957 Evaluate side-chains 1235 residues out of total 6225 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 52 poor density : 1183 time to evaluate : 5.351 Switching outliers to nearest non-outliers outliers start: 52 outliers final: 0 residues processed: 52 average time/residue: 0.4230 time to fit residues: 49.5125 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 750 random chunks: chunk 699 optimal weight: 20.0000 chunk 81 optimal weight: 0.9980 chunk 413 optimal weight: 40.0000 chunk 529 optimal weight: 20.0000 chunk 410 optimal weight: 10.0000 chunk 610 optimal weight: 20.0000 chunk 405 optimal weight: 8.9990 chunk 722 optimal weight: 50.0000 chunk 452 optimal weight: 10.0000 chunk 440 optimal weight: 10.0000 chunk 333 optimal weight: 3.9990 overall best weight: 6.7992 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** Q 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** Z 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** 5 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** r 64 GLN Total number of N/Q/H flips: 1 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7000 moved from start: 0.9641 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.006 0.058 61800 Z= 0.382 Angle : 0.781 10.090 83175 Z= 0.390 Chirality : 0.047 0.197 8775 Planarity : 0.006 0.064 11100 Dihedral : 5.730 25.131 8625 Min Nonbonded Distance : 2.146 Molprobity Statistics. All-atom Clashscore : 12.60 Ramachandran Plot: Outliers : 0.00 % Allowed : 15.32 % Favored : 84.68 % Rotamer Outliers : 1.56 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.43 (0.10), residues: 7650 helix: 0.12 (0.13), residues: 1800 sheet: -1.85 (0.11), residues: 2175 loop : -2.34 (0.10), residues: 3675 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 15300 Ramachandran restraints generated. 7650 Oldfield, 0 Emsley, 7650 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 15300 Ramachandran restraints generated. 7650 Oldfield, 0 Emsley, 7650 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1348 residues out of total 6225 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 97 poor density : 1251 time to evaluate : 5.356 Fit side-chains revert: symmetry clash revert: symmetry clash outliers start: 97 outliers final: 69 residues processed: 1285 average time/residue: 0.5244 time to fit residues: 1161.8281 Evaluate side-chains 1191 residues out of total 6225 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 69 poor density : 1122 time to evaluate : 5.628 Switching outliers to nearest non-outliers outliers start: 69 outliers final: 0 residues processed: 69 average time/residue: 0.4259 time to fit residues: 62.6225 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 750 random chunks: chunk 447 optimal weight: 5.9990 chunk 288 optimal weight: 10.0000 chunk 431 optimal weight: 0.6980 chunk 217 optimal weight: 6.9990 chunk 142 optimal weight: 0.5980 chunk 140 optimal weight: 4.9990 chunk 459 optimal weight: 2.9990 chunk 492 optimal weight: 0.5980 chunk 357 optimal weight: 0.3980 chunk 67 optimal weight: 1.9990 chunk 568 optimal weight: 0.2980 overall best weight: 0.5180 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** 5 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** r 66 HIS u 66 HIS Total number of N/Q/H flips: 2 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6875 moved from start: 0.9749 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.003 0.051 61800 Z= 0.196 Angle : 0.754 14.013 83175 Z= 0.362 Chirality : 0.046 0.183 8775 Planarity : 0.006 0.071 11100 Dihedral : 5.203 23.184 8625 Min Nonbonded Distance : 2.181 Molprobity Statistics. All-atom Clashscore : 9.30 Ramachandran Plot: Outliers : 0.00 % Allowed : 11.84 % Favored : 88.16 % Rotamer Outliers : 0.80 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -2.12 (0.10), residues: 7650 helix: 0.38 (0.13), residues: 1800 sheet: -1.51 (0.11), residues: 2250 loop : -2.27 (0.10), residues: 3600 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 15300 Ramachandran restraints generated. 7650 Oldfield, 0 Emsley, 7650 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 15300 Ramachandran restraints generated. 7650 Oldfield, 0 Emsley, 7650 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1397 residues out of total 6225 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 50 poor density : 1347 time to evaluate : 5.328 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 outliers start: 50 outliers final: 36 residues processed: 1362 average time/residue: 0.5294 time to fit residues: 1244.4827 Evaluate side-chains 1225 residues out of total 6225 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 36 poor density : 1189 time to evaluate : 5.325 Switching outliers to nearest non-outliers outliers start: 36 outliers final: 0 residues processed: 36 average time/residue: 0.4156 time to fit residues: 35.9778 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 750 random chunks: chunk 657 optimal weight: 50.0000 chunk 692 optimal weight: 9.9990 chunk 631 optimal weight: 0.7980 chunk 673 optimal weight: 0.5980 chunk 405 optimal weight: 6.9990 chunk 293 optimal weight: 30.0000 chunk 528 optimal weight: 20.0000 chunk 206 optimal weight: 20.0000 chunk 608 optimal weight: 8.9990 chunk 637 optimal weight: 4.9990 chunk 671 optimal weight: 7.9990 overall best weight: 4.2786 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** Q 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 0 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6953 moved from start: 0.9949 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.057 61800 Z= 0.284 Angle : 0.761 10.749 83175 Z= 0.369 Chirality : 0.046 0.204 8775 Planarity : 0.006 0.100 11100 Dihedral : 5.253 24.195 8625 Min Nonbonded Distance : 2.188 Molprobity Statistics. All-atom Clashscore : 11.29 Ramachandran Plot: Outliers : 0.00 % Allowed : 14.18 % Favored : 85.82 % Rotamer Outliers : 0.80 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.98 (0.10), residues: 7650 helix: 0.57 (0.13), residues: 1725 sheet: -1.52 (0.11), residues: 2250 loop : -2.10 (0.10), residues: 3675 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 15300 Ramachandran restraints generated. 7650 Oldfield, 0 Emsley, 7650 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 15300 Ramachandran restraints generated. 7650 Oldfield, 0 Emsley, 7650 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1256 residues out of total 6225 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 50 poor density : 1206 time to evaluate : 5.322 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash outliers start: 50 outliers final: 34 residues processed: 1223 average time/residue: 0.5571 time to fit residues: 1198.1829 Evaluate side-chains 1164 residues out of total 6225 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 34 poor density : 1130 time to evaluate : 5.289 Switching outliers to nearest non-outliers outliers start: 34 outliers final: 0 residues processed: 34 average time/residue: 0.4306 time to fit residues: 35.3161 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 750 random chunks: chunk 442 optimal weight: 7.9990 chunk 712 optimal weight: 50.0000 chunk 434 optimal weight: 0.6980 chunk 337 optimal weight: 3.9990 chunk 495 optimal weight: 5.9990 chunk 747 optimal weight: 50.0000 chunk 687 optimal weight: 50.0000 chunk 594 optimal weight: 50.0000 chunk 61 optimal weight: 4.9990 chunk 459 optimal weight: 6.9990 chunk 364 optimal weight: 0.9990 overall best weight: 3.3388 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** Q 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 0 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6940 moved from start: 1.0152 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.050 61800 Z= 0.253 Angle : 0.771 12.240 83175 Z= 0.372 Chirality : 0.046 0.208 8775 Planarity : 0.006 0.091 11100 Dihedral : 5.235 23.481 8625 Min Nonbonded Distance : 2.189 Molprobity Statistics. All-atom Clashscore : 11.33 Ramachandran Plot: Outliers : 0.00 % Allowed : 12.33 % Favored : 87.67 % Rotamer Outliers : 0.58 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.95 (0.10), residues: 7650 helix: 0.56 (0.13), residues: 1725 sheet: -1.48 (0.11), residues: 2250 loop : -2.07 (0.10), residues: 3675 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 15300 Ramachandran restraints generated. 7650 Oldfield, 0 Emsley, 7650 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 15300 Ramachandran restraints generated. 7650 Oldfield, 0 Emsley, 7650 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 1240 residues out of total 6225 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 36 poor density : 1204 time to evaluate : 5.343 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 outliers start: 36 outliers final: 27 residues processed: 1216 average time/residue: 0.5278 time to fit residues: 1123.2723 Evaluate side-chains 1168 residues out of total 6225 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 27 poor density : 1141 time to evaluate : 5.512 Switching outliers to nearest non-outliers outliers start: 27 outliers final: 0 residues processed: 27 average time/residue: 0.4300 time to fit residues: 29.4550 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 750 random chunks: chunk 472 optimal weight: 0.5980 chunk 633 optimal weight: 30.0000 chunk 182 optimal weight: 20.0000 chunk 548 optimal weight: 7.9990 chunk 87 optimal weight: 2.9990 chunk 165 optimal weight: 5.9990 chunk 595 optimal weight: 30.0000 chunk 249 optimal weight: 0.3980 chunk 611 optimal weight: 9.9990 chunk 75 optimal weight: 20.0000 chunk 109 optimal weight: 6.9990 overall best weight: 3.3986 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** Q 66 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 0 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.4217 r_free = 0.4217 target = 0.178107 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 62)----------------| | r_work = 0.3430 r_free = 0.3430 target = 0.128773 restraints weight = 134031.452| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 43)----------------| | r_work = 0.3449 r_free = 0.3449 target = 0.129879 restraints weight = 102233.940| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 31)----------------| | r_work = 0.3461 r_free = 0.3461 target = 0.130505 restraints weight = 88102.549| |-----------------------------------------------------------------------------| r_work (final): 0.3394 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7796 moved from start: 1.0297 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd. rmsZ for bonds and angles. Bond : 0.004 0.056 61800 Z= 0.257 Angle : 0.765 14.440 83175 Z= 0.369 Chirality : 0.046 0.212 8775 Planarity : 0.006 0.095 11100 Dihedral : 5.186 22.394 8625 Min Nonbonded Distance : 2.180 Molprobity Statistics. All-atom Clashscore : 11.71 Ramachandran Plot: Outliers : 0.00 % Allowed : 13.52 % Favored : 86.48 % Rotamer Outliers : 0.51 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 0.00 % Cis-general : 0.00 % Twisted Proline : 0.00 % Twisted General : 0.00 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.92 (0.10), residues: 7650 helix: 0.58 (0.13), residues: 1725 sheet: -1.44 (0.11), residues: 2250 loop : -2.07 (0.10), residues: 3675 =============================================================================== Job complete usr+sys time: 18708.12 seconds wall clock time: 325 minutes 43.53 seconds (19543.53 seconds total)